#DEFINITION	Reference Metabolome for Bergenia purpurascens
#IDENTTFIER	RefMeta-Bergenia purpurascens.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Bergenia purpurascens
#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 Bergenia purpurascens was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95960	0.8
70.14507	0.3
71.04945	1.0
81.03414	4.3
83.01346	5.4
85.02895	3.7
91.05485	0.6
91.32844	0.4
95.01302	0.8
97.02895	3.4
98.23183	0.8
99.04417	1.6
101.02327	0.4
103.05438	0.9
106.54530	0.4
109.02879	2.9
111.00804	1.9
113.05978	1.0
115.05436	0.4
120.98655	0.4
123.00768	1.2
127.03927	4.4
131.04886	0.6
139.00250	6.6
141.05458	4.7
145.04938	0.9
146.02077	0.4
147.04414	0.7
153.01785	2.4
153.02864	0.4
157.01305	1.6
157.02832	1.1
159.04333	0.7
159.06584	0.5
163.03897	1.3
166.99773	0.5
169.01361	2.6
171.04379	1.9
173.02325	1.2
175.03900	2.4
177.01767	0.9
185.00772	7.3
185.02335	1.6
186.01535	0.8
187.02299	0.6
187.03868	4.5
189.01793	1.0
191.03363	1.5
192.66721	0.4
199.03885	1.8
201.01822	2.0
202.02586	0.5
203.03392	3.5
204.04082	1.0
205.01236	1.1
213.01805	4.2
213.05278	0.5
215.03365	6.4
217.01248	0.7
219.02997	1.7
223.03886	0.6
227.03377	0.5
229.01230	2.5
229.05002	0.4
230.02077	1.0
231.02866	19.7
232.03604	0.8
239.03461	0.5
241.01282	3.0
241.04887	0.8
243.02878	2.6
245.00797	1.0
245.04414	0.5
247.02435	3.9
251.03391	0.7
255.02766	0.5
257.00784	4.6
257.03525	0.5
257.04388	0.4
258.01596	0.7
259.02377	32.7
260.03146	8.7
261.03928	19.8
267.02859	0.9
269.01074	0.5
269.04407	2.4
270.98923	0.3
273.00455	2.1
273.03818	2.0
275.01855	7.8
276.02634	12.3
277.03412	73.7
278.03827	0.6
279.02927	1.0
281.04471	0.7
283.02350	0.5
285.00290	3.8
285.03888	1.0
286.01071	1.8
287.01828	9.4
289.03369	0.7
291.01657	0.7
291.04950	3.2
295.02356	1.4
296.03043	0.5
297.03873	3.8
299.01715	0.5
300.99802	2.3
302.00650	2.3
303.01328	45.8
304.01639	0.6
305.00922	0.6
307.02441	1.3
309.03836	1.0
311.01871	0.4
312.99725	2.1
313.03467	3.1
315.05008	0.8
315.82663	0.4
317.03110	0.5
321.02457	2.6
323.01880	3.8
325.03427	2.3
327.04944	0.4
328.99316	4.2
329.02762	0.9
335.04248	4.9
337.03143	0.6
339.01163	0.6
341.02896	2.2
342.03479	0.5
343.04327	1.9
345.02524	0.7
351.01236	2.6
353.02850	4.1
355.04504	0.5
360.99475	0.5
365.03015	0.8
367.04645	0.5
369.02374	3.3
371.03897	2.4
379.00827	6.2
381.02426	4.2
387.03357	0.6
391.01251	0.5
397.01938	5.9
399.03622	1.2
407.00299	7.8
408.01041	0.7
409.01926	1.9
410.02689	0.5
411.03506	1.3
425.01410	2.1
426.02151	1.0
427.02960	66.5
428.03403	0.4
429.04752	0.8
434.99814	4.6
444.03308	0.8
445.04025	20.1
453.00870	100.0
454.01208	0.8
465.06699	4.5
471.01932	57.8
472.02130	0.5
477.02975	0.5
483.07651	0.9
485.03494	0.4
489.03204	0.9
502.23395	0.4
513.03003	1.3
573.04993	0.5
579.03864	0.8
597.05029	3.4
615.06079	16.9
633.07269	7.0
647.08667	1.7
651.08209	0.4
935.07800	3.5
949.09033	0.8
953.07751	1.4
967.09399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	0.1
73.02890	0.1
78.86327	0.1
81.03400	0.4
83.01279	0.1
85.02900	2.9
87.04448	0.2
91.03952	0.1
92.49741	0.1
95.29451	0.1
97.02881	1.0
99.04420	0.2
101.02293	0.1
109.02857	0.3
127.03902	0.6
145.04967	0.6
153.01759	0.1
158.03670	0.1
183.64102	0.1
187.03830	0.1
198.87955	0.1
204.06422	0.1
213.01868	0.1
214.02563	0.1
215.03320	0.2
216.04254	0.1
225.01814	1.0
228.00383	0.5
232.03674	0.1
241.01231	0.1
242.02028	0.1
243.02888	0.2
245.00983	0.1
245.89476	0.1
253.01317	2.9
256.00055	0.4
257.04846	0.1
260.03165	0.4
270.01459	0.2
271.02368	7.1
272.02725	0.1
273.00269	0.5
283.99545	1.5
285.00116	0.2
285.12326	0.1
288.02573	0.1
298.01025	0.2
299.01843	21.0
300.02545	0.8
300.99777	2.4
316.02118	12.4
317.02490	0.1
331.04453	100.0
332.04819	0.7
357.14581	0.1
373.05594	0.1
441.69168	0.1
660.27325	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	1002.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05013	6.3
73.02929	6.0
73.50466	1.4
75.56864	1.3
77.03942	3.1
77.40947	1.5
79.05499	84.7
79.42963	1.6
80.35855	1.3
81.03418	14.9
81.07063	100.0
83.04975	11.1
83.08621	18.8
85.02917	22.9
85.06549	3.7
89.72344	1.3
91.03961	9.9
91.05486	99.6
93.07050	93.4
95.04980	17.7
95.08613	69.6
97.02892	17.5
97.06528	11.4
97.10147	8.2
98.23476	4.7
99.04488	3.4
99.08114	5.1
103.05492	5.2
105.04545	7.2
105.07038	85.0
107.04947	7.8
107.08601	54.6
109.02890	2.9
109.06538	7.5
109.10166	26.1
111.08100	6.9
113.09690	3.0
115.05460	7.5
116.06214	2.0
117.06419	1.0
117.07032	48.0
119.08592	71.6
121.06522	5.7
121.10149	40.4
121.10982	2.5
122.50861	1.4
123.08098	6.9
123.11722	7.8
125.09669	6.3
127.03943	9.7
128.06201	8.2
129.05490	5.5
129.07002	32.2
130.07808	3.2
131.08580	61.8
133.06564	3.7
133.10138	52.7
135.08064	5.6
135.11688	22.6
137.09659	3.8
139.11182	2.4
141.07007	12.2
142.07822	8.2
142.58853	1.6
143.08586	32.3
144.09401	2.7
145.04985	7.0
145.06468	1.8
145.10135	52.4
147.08099	3.1
147.11705	36.6
149.09653	11.2
149.13271	15.7
151.11235	3.1
153.07036	2.9
154.07814	3.1
155.08551	20.6
156.09325	3.8
157.10139	33.1
159.08116	3.5
159.11700	42.6
159.12943	2.8
161.09665	3.4
161.13266	20.9
163.06042	3.8
163.11189	5.7
163.14850	3.2
165.07043	2.0
165.12782	3.1
167.08537	9.6
168.09341	2.8
169.10133	22.2
171.10307	1.3
171.11696	29.5
171.13040	2.4
172.01567	1.7
173.09697	2.4
173.11807	2.6
173.13245	20.3
174.89915	1.5
175.11252	2.4
175.14848	10.4
177.12714	3.4
179.08586	2.8
179.14346	2.2
180.09479	2.3
181.10153	11.6
183.11705	20.5
185.13268	19.4
187.14848	8.4
189.11186	2.4
189.12764	1.9
191.14322	2.3
193.10147	4.5
195.11740	10.1
195.13658	2.9
197.13274	18.9
199.14867	13.9
201.12720	2.6
201.16417	4.9
203.14450	1.8
207.11749	4.3
209.13289	12.7
211.11325	2.3
211.14828	11.7
213.12709	1.8
213.16345	7.9
215.14391	1.7
215.18042	2.0
221.13321	5.7
223.14929	8.2
225.16406	6.1
227.12709	2.1
227.16112	1.7
227.18054	3.5
229.14310	3.8
229.19673	2.1
231.21231	2.1
233.13286	1.7
235.14873	3.2
237.16373	7.5
239.18069	7.9
241.19705	11.8
243.12279	2.4
243.21342	1.6
247.14951	2.6
249.16458	3.5
251.18010	2.8
253.19583	2.4
257.18997	8.7
259.20593	29.7
261.22241	4.0
269.17432	14.2
271.20605	1.7
273.18646	2.9
275.17667	1.6
275.20209	9.7
277.21945	2.1
279.21216	1.7
281.18890	1.7
283.20746	3.7
285.22217	2.5
291.19659	4.7
297.22256	3.9
299.20374	2.1
309.22177	3.1
311.23761	3.1
313.21671	4.3
315.23245	5.3
321.21997	2.3
323.19864	2.1
323.23480	2.5
326.07672	1.6
327.23181	2.0
331.22699	2.6
333.24341	27.3
335.25745	6.6
337.25479	3.0
339.23318	2.5
339.26965	2.3
341.28625	1.9
349.23822	7.1
351.27017	2.7
365.24036	2.6
365.28473	2.5
391.29996	2.6
403.29510	2.6
421.30652	1.7
435.32489	7.8
447.32318	1.9
453.33545	4.7
455.32614	1.6
459.32349	2.2
487.33911	2.4
501.35843	3.1
509.35977	2.5
513.36047	9.9
515.37878	5.3
517.40924	9.2
525.35663	2.3
527.37366	32.2
533.39685	2.7
535.41364	4.1
539.36957	3.2
543.36780	2.0
545.38446	6.1
567.40466	2.1
591.44263	8.4
597.44983	2.1
607.43555	16.9
609.45172	82.5
625.44751	17.7
771.50659	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	1002.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79763	3.0
71.04993	4.5
73.02913	4.3
77.09837	2.3
79.05495	80.3
81.03418	12.6
81.06567	3.2
81.07058	86.9
83.04987	10.6
83.08624	20.1
85.02919	17.4
85.06543	6.6
91.03963	7.4
91.05482	100.0
93.07046	95.9
95.04964	22.4
95.08608	62.9
97.02887	10.2
97.06530	11.8
97.10177	13.4
98.23518	5.4
99.04436	2.3
99.08092	4.4
103.05482	4.8
105.04513	3.5
105.07030	94.7
107.04952	8.7
107.07912	5.1
107.08591	54.3
109.02892	3.4
109.06516	6.9
109.10155	28.7
111.08099	7.4
115.05470	6.8
117.07018	40.4
119.08584	78.4
119.09435	5.3
121.06503	5.7
121.10142	39.5
123.04446	2.7
123.08092	9.6
123.11713	10.8
125.09718	6.0
127.03916	8.3
128.06201	7.0
129.05540	3.2
129.07008	25.4
130.07848	3.2
131.08565	49.3
133.06476	5.8
133.10135	58.2
135.08029	6.5
135.11700	30.3
137.09618	5.7
141.06998	8.9
142.07767	5.5
143.08588	28.2
145.04962	3.9
145.10117	46.6
147.08127	3.0
147.11693	43.5
149.09621	13.5
149.13235	17.5
155.08546	13.5
157.10118	28.5
159.11700	32.1
160.24504	2.5
161.13272	19.1
163.11185	9.4
165.12720	4.0
167.08583	9.0
169.10123	18.2
171.11696	20.2
173.04457	6.2
173.13260	18.5
175.11259	4.8
175.14839	11.9
177.12808	6.0
179.08540	3.2
179.14363	3.2
181.10117	8.7
182.10820	2.7
183.11673	18.7
185.13213	20.8
187.11172	5.8
187.14833	6.0
189.11209	3.5
195.11722	11.9
195.13640	3.9
197.13235	14.8
199.14830	11.0
201.16428	4.5
207.11786	3.0
209.13304	7.6
211.14857	5.0
213.16479	5.5
215.17931	3.2
221.13313	3.7
223.14787	5.8
225.16504	5.5
227.12755	7.4
228.18820	2.7
229.14249	3.6
229.41367	2.6
231.20979	4.3
235.14859	2.9
237.16356	3.0
239.17964	5.2
241.19601	19.8
247.20645	3.6
255.16045	8.7
257.19019	10.0
259.20584	57.1
267.15985	3.0
269.17404	18.6
271.20526	4.3
275.20139	27.2
277.21478	2.7
315.23059	6.5
325.21338	2.8
333.24231	58.6
335.25775	6.2
339.23062	3.1
341.24854	2.9
349.23837	22.3
366.28427	2.7
367.25006	3.5
367.66577	2.7
403.29431	4.0
421.30865	3.0
435.32523	7.7
453.33450	4.3
471.34872	3.4
509.36176	5.4
513.35828	37.9
515.38324	8.0
527.37335	81.3
531.36884	8.5
533.40326	6.0
545.38177	13.9
551.40851	4.7
607.43579	69.2
625.35052	4.7
625.44629	62.5
635.39740	3.3
653.39990	4.3
671.41943	6.0
675.41296	3.1
689.41827	8.6
733.45953	3.4
751.47931	2.9
769.48077	9.0
815.05792	2.6
862.23315	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	1007.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83747	0.4
71.05002	0.4
71.84572	0.2
73.02895	0.2
81.03435	0.5
85.02905	2.3
85.77373	0.2
97.02882	1.3
98.97578	1.6
107.87035	0.2
110.97594	0.3
113.06032	0.3
116.98635	0.5
119.02820	0.2
127.03938	0.7
128.98572	0.3
130.93330	0.3
131.07079	0.9
143.00235	0.3
145.04991	0.5
149.08148	0.9
153.01802	0.4
154.93382	0.8
161.01265	0.4
172.94305	2.1
177.00716	0.2
184.04985	0.8
187.02895	0.9
190.95343	1.3
196.94339	1.5
198.95970	0.6
208.94551	0.3
208.96489	0.3
211.02823	1.0
214.95389	4.9
214.97287	0.3
216.96979	2.8
216.98663	0.3
222.96143	0.7
226.95355	1.6
228.97017	1.2
229.03838	3.0
232.96426	6.2
234.98062	1.4
238.95595	0.4
240.96941	5.6
242.94905	0.4
242.98521	2.4
244.96460	1.5
246.98048	0.5
247.04939	1.3
249.08076	1.2
250.97495	1.1
252.97040	1.0
254.98412	0.3
256.96460	3.2
257.00119	0.5
258.98029	16.7
260.95963	0.4
260.99643	2.8
262.97525	0.4
266.98532	1.4
268.96481	1.4
270.98016	3.3
272.99554	0.6
274.97501	3.1
276.99039	4.1
278.97906	0.2
279.00729	1.1
280.96692	0.3
282.97992	3.7
283.01547	0.5
284.99576	7.6
286.97586	1.9
287.01135	0.6
288.96051	0.3
288.99155	1.0
289.06049	0.6
290.97778	0.2
292.98532	1.0
294.98196	1.0
296.03525	0.3
296.99527	0.6
298.97528	1.3
299.00775	0.3
300.99057	4.1
301.02405	0.5
303.00632	6.1
303.04025	0.4
304.98676	0.4
305.02042	0.3
308.99643	1.6
309.02972	0.4
309.99591	0.3
311.01263	0.7
312.99045	3.1
313.02478	0.4
315.00711	1.4
316.98593	3.6
317.02118	0.4
319.00021	1.3
321.01929	1.6
324.99463	0.6
325.99200	0.4
327.00644	7.0
329.02191	2.2
330.10721	4.9
330.60880	0.8
331.00085	1.3
333.01715	0.5
334.99582	7.6
335.03238	0.4
339.00604	2.1
341.09070	0.3
343.00317	0.4
345.01715	5.1
347.03256	1.2
349.08191	0.5
351.00449	0.3
352.57761	0.2
353.02231	2.2
354.02249	0.4
355.03961	0.4
357.01694	2.0
361.01245	0.9
363.02716	1.4
367.09241	0.6
369.01862	0.4
369.05920	0.4
370.01532	0.4
371.03271	3.6
373.04773	1.3
383.03403	0.4
387.03061	1.8
387.09000	1.0
389.04068	1.5
391.06076	0.6
395.03296	0.7
396.03543	0.3
397.05008	0.6
405.03839	5.8
413.04199	0.4
415.06018	0.7
423.04895	3.1
447.04892	23.1
449.07104	0.3
459.04889	1.5
465.05927	4.0
473.06476	10.7
477.06424	0.3
491.07489	3.7
497.15417	0.8
499.08447	0.3
507.14099	0.4
507.64261	0.6
508.14136	0.5
508.63760	0.3
515.07086	1.1
517.09076	4.2
523.11823	0.8
523.61969	1.1
524.12341	1.1
524.61542	1.5
525.11603	1.2
525.61810	0.5
535.10199	3.3
542.09222	2.8
542.59424	0.6
659.20752	1.0
696.15436	0.6
697.15363	100.0
697.65332	2.1
698.15546	2.0
1007.28015	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	1007.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02765	2.2
73.03220	0.8
79.05330	3.3
79.05834	0.8
81.03260	1.2
81.06888	2.7
81.07408	0.7
83.08472	0.5
85.02735	4.8
85.03290	1.0
91.03783	2.8
91.05307	3.7
91.05918	0.8
93.06857	2.9
95.04832	1.0
95.08435	1.8
97.02705	4.8
97.03390	0.9
99.04342	0.6
101.02232	1.0
105.06831	2.6
107.08401	1.5
109.02766	0.8
109.10012	0.7
113.26649	0.4
115.03790	0.5
117.06872	0.9
119.08380	1.7
121.10016	0.8
127.03664	1.7
129.05307	0.8
129.06879	1.0
131.08403	0.9
133.09969	0.9
135.11520	0.8
143.08356	0.8
145.04808	0.5
145.09998	1.0
147.11514	0.9
159.11482	0.7
171.11551	0.8
185.03963	1.2
201.03671	0.6
203.05078	0.8
243.08144	1.9
247.12709	1.5
259.07593	0.6
259.20245	0.6
268.99817	0.5
287.15961	0.9
301.08618	0.9
315.10370	0.5
317.20813	0.6
327.10303	0.5
347.09479	5.6
357.23746	0.6
363.08780	1.7
365.10205	1.3
405.13754	9.1
411.23517	0.4
453.20535	0.5
463.14139	1.1
465.20926	8.9
475.14285	0.5
477.15488	0.6
535.28790	6.7
537.30396	0.6
551.28217	0.8
559.23309	0.5
597.37549	0.9
599.26807	1.2
627.26178	15.1
657.27051	0.9
695.31763	1.2
697.34052	12.0
699.28735	1.6
713.32898	1.3
727.32959	1.0
757.41357	0.8
759.42657	4.1
769.35791	1.1
783.37421	1.0
787.41675	0.7
851.39856	2.7
869.42389	1.1
891.47009	2.4
909.48022	4.3
919.49884	0.6
920.47260	1.9
921.48090	100.0
922.48657	1.9
961.52649	0.6
989.54218	15.4
1007.55298	52.2
1008.55499	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	1007.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88949	0.6
69.89273	0.3
71.39494	0.3
73.02927	1.8
79.05479	1.8
81.03434	0.8
81.07056	1.2
82.52141	0.3
83.08636	0.3
85.02896	3.2
87.04488	0.3
91.03938	1.9
91.05466	1.8
93.07033	2.1
95.04992	0.5
95.08627	1.0
97.02898	3.3
97.06513	0.4
99.04449	0.7
101.02403	1.2
105.04510	0.3
105.07036	1.6
107.08614	1.2
109.02866	0.5
117.07048	0.6
119.08604	1.2
121.10176	0.5
127.03934	0.8
129.07050	0.4
131.08595	0.6
133.10155	0.7
134.08531	0.3
135.11728	0.4
135.95055	0.3
147.11678	0.6
149.13290	0.4
185.04263	0.7
201.03716	0.6
203.05272	0.7
243.08408	1.8
301.09103	0.6
317.20673	0.3
333.20258	1.6
347.09396	2.6
363.09116	1.0
365.10690	1.0
373.23511	0.5
405.13663	5.1
405.18756	0.4
445.17456	0.3
453.20871	0.6
463.14310	1.0
535.28687	3.7
551.28137	2.9
559.23816	0.5
697.34021	4.5
713.33533	3.9
772.20984	0.3
785.36066	0.8
845.49481	0.6
869.44562	0.4
1007.55408	100.0
1008.55054	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	1.7
71.04990	6.4
77.03908	2.1
78.04722	1.9
79.05493	73.9
81.03423	13.7
81.07059	100.0
83.04971	14.5
83.08623	19.2
85.02904	10.7
85.06539	3.6
91.03957	2.1
91.05479	62.6
93.07043	78.0
95.04984	21.5
95.08611	44.1
97.02906	9.7
97.06521	20.6
97.10176	13.9
99.04479	3.6
99.08099	4.4
103.05482	3.5
105.04531	6.1
105.07029	56.7
105.07735	2.8
107.04966	13.3
107.08596	49.1
109.02883	2.0
109.06523	9.8
109.10143	16.2
111.04446	2.8
111.08082	7.8
113.09682	2.1
115.05502	2.6
116.06236	1.9
117.07019	23.2
119.08575	36.9
121.06539	11.1
121.10143	26.5
123.08076	6.7
123.11736	6.9
123.89067	2.0
125.09607	9.0
127.03951	4.5
128.06201	4.3
129.05496	2.1
129.07002	12.0
130.07808	3.1
131.08566	26.8
133.06502	5.3
133.10135	36.5
135.08026	8.1
135.11694	22.8
137.09616	6.7
139.07562	2.2
141.06992	3.5
142.07774	2.7
143.08572	9.4
145.06531	2.5
145.10135	24.5
147.07980	2.3
147.11673	16.3
148.96698	1.6
149.09607	19.3
149.13249	18.8
151.11186	3.3
153.09196	1.8
155.08572	5.0
157.10143	11.9
159.11690	20.1
161.09627	4.0
161.13255	5.4
163.11186	13.6
165.12782	3.8
169.10161	5.4
171.07967	2.0
171.10298	2.2
171.11716	6.0
173.04507	5.4
173.09599	3.3
173.11929	2.4
173.13268	7.9
175.11276	4.4
175.14865	2.3
177.12750	8.4
179.14467	2.8
183.11664	5.8
185.13161	3.6
187.11174	2.4
187.14813	2.7
189.11227	5.4
191.14273	3.0
193.10097	2.5
195.11891	2.8
195.13831	8.4
197.13290	5.0
201.12775	3.3
213.12872	2.2
227.12729	15.3
229.14339	4.3
239.17984	3.3
245.14063	2.1
247.20718	2.3
253.18051	2.2
255.15799	12.3
255.89267	1.8
257.19046	15.0
259.20923	1.8
267.16019	3.2
269.17474	50.9
275.20071	55.3
291.99731	1.8
293.21121	5.3
313.21643	2.5
321.24512	2.2
331.22638	4.8
349.23749	52.7
350.23950	2.2
367.24869	9.3
423.27267	4.6
433.30887	2.7
439.27090	2.5
445.29471	5.1
449.29053	29.0
463.30582	42.3
503.33566	3.1
515.37122	2.7
519.33142	2.6
525.35339	11.1
529.35364	18.6
543.36853	78.7
547.36639	2.8
561.38226	14.9
607.34424	7.0
623.43066	20.0
641.43951	13.9
687.40735	5.5
705.41602	2.5
906.88116	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	1018.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	4.5
71.08640	2.2
73.02915	3.9
77.03933	2.5
78.29947	2.2
79.05495	82.6
81.03413	15.4
81.07060	95.9
83.04984	17.6
83.08627	19.0
85.02448	2.1
85.02897	13.3
85.06551	7.9
91.03969	6.1
91.05479	100.0
93.06444	4.1
93.07043	82.3
95.04968	28.3
95.08601	57.3
97.02885	14.5
97.06530	20.1
97.10160	14.3
99.04426	4.4
99.08119	4.7
103.05454	5.3
105.04536	7.4
105.07030	83.8
107.04968	16.2
107.08588	52.9
108.95776	2.1
109.02897	4.4
109.06514	10.5
109.10162	39.4
111.04472	3.8
111.08074	6.4
113.09640	2.3
115.05480	4.2
117.07020	39.7
119.08585	64.1
119.09431	4.4
121.06489	7.5
121.10143	32.5
123.08070	7.8
123.11720	7.4
125.09618	12.7
127.03935	6.8
128.06224	6.1
129.05542	4.7
129.07005	26.7
130.07811	2.8
131.08563	54.7
133.06508	4.8
133.10138	55.2
135.08044	6.5
135.11685	22.8
137.09610	7.5
141.07040	6.6
142.07761	4.6
143.08568	24.0
144.09329	2.7
145.05032	3.1
145.10118	36.2
147.08058	5.1
147.11684	31.8
149.09627	21.9
149.13264	18.0
151.11195	7.4
155.08531	16.1
157.10130	23.2
159.08023	2.3
159.11700	32.0
161.13301	18.8
163.11211	11.8
163.14883	2.3
167.08569	5.9
169.10144	14.2
171.10240	2.9
171.11647	22.4
173.09711	2.2
173.11716	6.2
173.13298	19.2
175.11188	2.8
175.14868	6.5
177.12744	3.6
179.08591	3.7
179.14391	3.1
179.35751	2.1
181.10107	8.6
183.11664	17.4
185.13222	13.2
187.11189	5.1
187.14845	7.2
189.11188	6.1
189.12750	4.7
195.11710	8.3
197.13304	11.9
199.14865	8.2
201.12708	4.3
201.16399	4.5
203.14236	3.5
207.11798	3.3
208.12677	2.5
209.13213	8.3
211.14836	6.9
213.12817	2.8
213.16429	7.5
214.17461	2.2
221.13232	3.6
225.16403	5.0
227.12697	15.4
227.17946	2.9
229.14272	12.5
229.19571	2.9
237.16536	3.4
239.18085	3.5
239.34737	2.2
241.19582	12.0
247.20523	3.8
253.14265	3.8
255.15857	4.9
257.19003	10.4
259.20554	20.3
261.22134	2.7
263.61823	2.6
269.17407	19.2
273.18442	4.9
275.20081	46.1
277.21692	4.0
280.85596	2.2
285.16843	2.1
291.19666	8.5
293.21185	15.5
295.20578	2.7
299.19962	2.3
301.21478	3.0
311.23795	2.4
311.72653	2.7
315.23099	6.7
331.22617	4.2
333.24313	22.4
335.25998	4.3
347.22144	2.3
349.23831	38.3
365.23581	2.4
367.24756	6.7
377.28198	2.7
417.40414	2.8
421.30991	4.4
435.32733	4.3
445.29028	2.6
449.28955	4.6
462.46835	2.0
463.30521	8.6
487.34277	7.6
503.33978	4.3
509.36490	2.5
513.35742	52.8
515.37653	3.8
527.37323	20.6
529.35211	4.1
531.36627	2.4
543.36945	16.1
545.38300	5.1
551.40912	2.5
555.36353	3.7
559.36169	3.0
561.38312	10.0
607.43561	34.6
623.42981	5.8
625.44763	36.1
641.44019	10.6
705.47345	2.2
769.49188	2.2
910.48828	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	1018.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50499	5.3
71.04984	7.8
73.02948	2.2
77.03959	2.8
79.05494	80.9
81.03417	22.0
81.07058	100.0
83.05000	15.2
83.08621	21.7
85.02898	14.7
85.06544	6.9
91.03955	2.9
91.05481	71.8
93.07046	76.8
95.04979	21.2
95.08601	47.5
97.02885	7.3
97.06541	21.3
97.10174	21.5
99.04456	3.9
99.08093	4.1
103.05422	3.1
105.04484	4.7
105.06346	4.5
105.07030	60.0
107.04967	14.0
107.08592	56.1
109.02882	3.3
109.06498	10.7
109.10161	21.2
111.04404	2.5
111.08090	7.5
113.09680	2.4
115.05458	2.9
117.07034	28.0
119.08585	43.0
121.06561	4.9
121.10152	29.0
123.08059	5.1
123.11707	4.4
125.09655	16.1
127.03893	5.2
128.06221	2.9
129.06992	14.7
130.07756	2.1
131.08572	34.0
133.06490	2.4
133.10133	35.8
135.08067	9.7
135.11691	19.3
137.09648	5.0
138.94505	2.7
139.11209	2.4
141.06990	4.2
142.07813	3.8
143.08554	10.8
145.04941	3.2
145.06450	2.6
145.10115	30.7
147.11696	21.6
149.09608	24.2
149.13237	13.3
151.11197	3.8
155.08543	5.1
157.10143	15.1
159.11687	24.7
161.09599	3.1
161.13263	7.5
163.11224	15.0
165.12733	3.2
169.10092	7.8
171.10368	2.2
171.11716	10.1
173.04457	6.0
173.09698	3.8
173.11827	3.7
173.13257	8.4
175.11292	2.6
177.12764	7.0
177.53624	2.4
179.14316	5.6
181.10100	2.7
181.12337	2.7
183.11729	7.3
185.13199	6.5
187.11197	2.5
189.11217	9.1
195.13824	6.8
197.13260	4.8
199.14772	2.7
201.12852	3.3
208.24011	2.3
213.12691	2.9
225.16385	2.2
227.12761	28.1
229.14417	5.1
239.18022	7.6
245.13708	3.7
253.17911	3.4
255.15765	15.1
257.19022	17.7
267.15790	5.1
269.17453	46.0
275.17062	3.6
275.20071	73.0
285.17194	2.3
291.19830	2.9
293.21152	6.9
331.22708	9.8
333.58572	2.1
349.23727	71.0
358.69458	2.4
367.24649	8.8
409.26190	2.6
413.21750	3.6
423.27234	2.8
431.27756	6.2
433.30835	3.7
435.27499	3.3
439.26642	2.5
445.29587	4.1
449.29056	25.3
451.31866	3.5
463.30563	31.9
469.32321	2.3
503.33627	5.4
515.37372	2.9
519.33313	6.1
525.35663	7.1
529.35388	20.5
543.36749	76.4
547.36084	5.0
561.38239	13.7
576.12213	2.5
593.33160	3.1
595.43945	3.0
605.41888	5.1
607.34503	6.7
623.43024	30.8
641.44440	17.8
687.40979	5.6
705.41937	3.1
799.35748	2.4
991.89246	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	5.8
71.40692	2.5
73.02918	5.6
73.11839	2.4
77.03910	5.0
79.05043	5.1
79.05495	88.7
81.03424	16.1
81.07054	91.9
83.04981	15.4
83.08627	17.1
85.02906	27.9
85.06528	5.9
89.92972	2.7
90.00369	2.7
91.03951	9.6
91.05479	100.0
93.07044	85.5
95.04979	27.2
95.08607	52.8
97.02903	19.5
97.06511	19.9
97.10158	5.3
98.09665	3.4
99.04459	4.2
99.08077	4.1
103.05463	5.3
105.04527	7.3
105.07030	79.8
107.04955	12.1
107.07932	3.5
107.08595	45.4
109.02867	3.1
109.06499	11.0
109.10175	19.8
111.04425	4.0
111.08083	7.8
115.05463	7.4
116.06199	4.4
117.07020	40.7
119.08575	56.8
120.38171	2.7
121.06478	8.3
121.10142	27.8
123.08071	6.6
123.11713	7.2
125.09633	4.0
127.03915	8.2
128.06216	6.3
129.05521	6.3
129.07001	20.2
130.07745	2.5
131.08568	41.4
133.06563	4.9
133.10139	46.4
135.08058	6.8
135.11699	19.3
137.09616	4.0
141.06996	9.4
142.07739	5.6
143.08568	29.0
145.04950	7.6
145.10139	36.5
147.11697	35.8
149.09636	12.5
149.13199	15.1
151.11160	4.4
155.08533	12.3
157.10155	20.7
159.11684	28.8
161.13275	17.6
163.11166	6.9
167.08513	3.8
169.10101	14.7
171.11702	24.4
173.04451	4.4
173.13226	17.3
175.11136	4.2
175.14885	6.4
177.12718	5.6
179.08614	2.9
179.14307	2.8
181.10156	8.8
183.11670	16.9
185.13249	12.0
187.11208	2.6
187.14867	6.0
195.11719	7.9
195.13721	6.5
197.13228	9.4
199.14842	7.9
201.16254	3.8
209.13353	5.1
211.14828	6.3
213.16362	3.9
215.17952	4.3
223.14833	4.8
229.19556	3.5
237.16321	3.0
239.18031	4.1
241.19601	12.6
257.19077	9.4
259.20572	20.6
269.17487	19.8
275.20007	13.9
279.20819	3.0
281.17749	4.9
315.23270	5.9
333.24280	17.2
335.25909	5.0
349.23688	9.5
404.56549	2.9
435.32669	2.8
463.30447	3.9
475.30026	2.8
490.87680	2.9
513.35663	4.1
515.37799	3.3
517.39197	4.2
527.37555	20.0
543.36536	5.0
591.43945	3.6
607.43243	8.9
609.45148	37.3
625.44141	8.0
649.13763	3.4
787.53198	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	102.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00259	0.2
56.96570	100.0
58.50547	12.5
58.96182	0.3
58.96990	0.2
59.00713	0.2
59.96178	0.3
60.04530	0.8
60.95858	13.3
61.00806	0.6
67.51073	27.1
68.01240	0.4
70.01339	9.6
70.51510	0.4
70.66607	0.3
74.06090	0.4
74.97611	0.8
76.51593	9.6
77.01788	0.2
78.51234	0.3
79.01862	43.0
79.51073	0.2
79.52043	1.9
80.02071	0.2
80.03501	0.7
81.52161	0.3
82.01443	0.9
84.01183	0.3
85.02918	0.3
85.52116	0.7
87.51792	0.2
88.02383	16.5
88.51585	0.6
88.52539	0.6
90.52648	1.2
96.02089	0.2
97.02886	0.8
98.23322	0.2
99.53149	0.5
100.02469	1.3
102.02247	1.5
102.05563	0.4
102.09174	0.6
102.12822	0.2
102.96867	1.2
107.52901	0.3
118.03529	0.4
119.98277	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	3.1
77.03929	4.2
79.05490	87.5
81.03410	26.3
81.07058	100.0
83.04984	14.2
83.08625	20.6
83.49638	2.6
85.02905	15.7
85.06538	8.4
91.03955	4.0
91.05477	96.4
91.24238	2.0
93.07043	81.8
95.04967	31.9
95.08603	61.0
97.02896	16.9
97.06527	30.4
97.10177	22.5
99.04449	2.1
99.08070	3.7
103.05487	3.5
105.04515	8.4
105.07027	72.6
107.04946	25.3
107.08588	57.7
109.02873	4.1
109.06506	11.9
109.10149	51.2
111.08097	10.2
113.09679	3.2
115.05465	4.4
117.07001	34.1
119.05988	2.2
119.08585	49.7
121.06521	8.9
121.10152	21.9
123.08054	8.3
123.11706	6.8
125.09634	22.3
127.03929	8.6
127.07635	2.2
128.06253	4.2
129.05458	5.1
129.06982	17.0
131.08575	40.8
133.06490	4.8
133.10130	42.6
135.08072	8.6
135.11679	21.2
137.09627	17.7
139.07536	2.2
141.07014	6.5
142.07802	2.6
143.08559	13.0
145.04872	4.1
145.06514	3.5
145.10130	35.9
147.08035	4.9
147.11690	20.3
149.09615	42.4
149.13245	8.7
151.11150	4.4
153.09090	5.1
154.07722	2.2
155.08536	7.3
155.10661	5.0
157.10126	11.4
159.07999	2.9
159.11693	24.2
161.09625	4.0
161.13261	10.3
163.11197	18.5
165.09114	3.7
167.10750	3.0
169.10127	13.1
171.11702	11.7
173.04512	4.8
173.11737	13.0
173.13286	12.7
175.11192	5.6
175.14838	3.9
177.12762	8.5
179.14293	14.4
183.11670	6.3
185.13290	4.7
187.11148	3.9
187.14769	3.1
189.11223	14.7
189.12695	3.5
191.14209	2.5
193.12288	5.2
195.11781	3.2
195.13835	7.0
199.14830	3.4
201.10805	2.1
201.12773	2.7
205.12155	4.2
209.13240	2.7
211.87248	2.1
213.16428	3.9
220.71446	2.1
223.13203	2.9
227.12778	21.6
229.14326	18.7
229.19524	3.5
239.17928	7.0
245.13626	3.4
247.20639	4.5
255.15802	10.5
257.19037	16.0
269.17480	15.6
273.18481	8.6
275.20056	73.9
291.19547	14.4
293.21149	8.4
331.22720	3.7
349.23752	72.6
365.23340	9.8
383.24283	4.3
409.25891	10.0
423.27567	14.9
445.29391	3.3
447.31424	3.0
463.31125	3.1
503.33630	21.3
517.34839	2.8
519.32471	3.6
527.37354	6.0
529.35101	14.3
543.36853	27.5
559.36353	3.1
561.37122	3.0
623.43030	25.5
639.42554	3.5
641.43884	7.1
657.42950	2.5
692.69366	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	1034.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	3.1
77.03929	4.2
79.05490	87.5
81.03410	26.3
81.07058	100.0
83.04984	14.2
83.08625	20.6
83.49638	2.6
85.02905	15.7
85.06538	8.4
91.03955	4.0
91.05477	96.4
91.24238	2.0
93.07043	81.8
95.04967	31.9
95.08603	61.0
97.02896	16.9
97.06527	30.4
97.10177	22.5
99.04449	2.1
99.08070	3.7
103.05487	3.5
105.04515	8.4
105.07027	72.6
107.04946	25.3
107.08588	57.7
109.02873	4.1
109.06506	11.9
109.10149	51.2
111.08097	10.2
113.09679	3.2
115.05465	4.4
117.07001	34.1
119.05988	2.2
119.08585	49.7
121.06521	8.9
121.10152	21.9
123.08054	8.3
123.11706	6.8
125.09634	22.3
127.03929	8.6
127.07635	2.2
128.06253	4.2
129.05458	5.1
129.06982	17.0
131.08575	40.8
133.06490	4.8
133.10130	42.6
135.08072	8.6
135.11679	21.2
137.09627	17.7
139.07536	2.2
141.07014	6.5
142.07802	2.6
143.08559	13.0
145.04872	4.1
145.06514	3.5
145.10130	35.9
147.08035	4.9
147.11690	20.3
149.09615	42.4
149.13245	8.7
151.11150	4.4
153.09090	5.1
154.07722	2.2
155.08536	7.3
155.10661	5.0
157.10126	11.4
159.07999	2.9
159.11693	24.2
161.09625	4.0
161.13261	10.3
163.11197	18.5
165.09114	3.7
167.10750	3.0
169.10127	13.1
171.11702	11.7
173.04512	4.8
173.11737	13.0
173.13286	12.7
175.11192	5.6
175.14838	3.9
177.12762	8.5
179.14293	14.4
183.11670	6.3
185.13290	4.7
187.11148	3.9
187.14769	3.1
189.11223	14.7
189.12695	3.5
191.14209	2.5
193.12288	5.2
195.11781	3.2
195.13835	7.0
199.14830	3.4
201.10805	2.1
201.12773	2.7
205.12155	4.2
209.13240	2.7
211.87248	2.1
213.16428	3.9
220.71446	2.1
223.13203	2.9
227.12778	21.6
229.14326	18.7
229.19524	3.5
239.17928	7.0
245.13626	3.4
247.20639	4.5
255.15802	10.5
257.19037	16.0
269.17480	15.6
273.18481	8.6
275.20056	73.9
291.19547	14.4
293.21149	8.4
331.22720	3.7
349.23752	72.6
365.23340	9.8
383.24283	4.3
409.25891	10.0
423.27567	14.9
445.29391	3.3
447.31424	3.0
463.31125	3.1
503.33630	21.3
517.34839	2.8
519.32471	3.6
527.37354	6.0
529.35101	14.3
543.36853	27.5
559.36353	3.1
561.37122	3.0
623.43030	25.5
639.42554	3.5
641.43884	7.1
657.42950	2.5
692.69366	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45352	0.2
54.37013	0.2
58.06597	3.6
59.07387	1.2
60.08163	36.9
61.08496	0.4
69.37451	0.7
71.99276	0.2
84.95612	0.2
87.04500	0.3
89.06882	0.2
104.10742	100.0
105.11057	2.2
118.58440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.1
59.07373	1.0
60.08165	34.2
61.08504	0.4
69.65018	0.3
69.65379	0.3
86.09697	0.2
104.10744	100.0
105.11075	2.0
115.15520	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	3.2
59.06932	0.1
59.07375	1.0
60.08158	35.9
61.07861	0.1
61.08491	0.4
61.08799	0.0
69.68742	0.1
86.06043	0.0
86.09679	0.1
87.04467	0.1
88.07607	0.1
98.23403	0.0
104.10732	100.0
105.10433	0.1
105.11050	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	1.0
53.03945	2.8
56.92004	0.4
65.03931	0.8
65.74243	0.3
67.07596	0.3
71.46679	0.4
77.03928	4.9
79.05493	38.4
80.05817	0.9
95.04968	15.1
97.61940	0.4
100.72730	0.4
103.05467	22.8
104.05782	0.6
105.04529	7.2
105.07029	100.0
106.06622	0.7
106.07364	3.2
116.55264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01589	0.7
51.02372	1.5
53.03951	9.2
55.01884	0.7
58.79331	0.6
64.20480	0.6
67.30294	0.7
69.23305	1.0
69.23598	4.0
77.03939	9.8
79.05496	58.3
80.05019	3.0
80.05840	1.0
81.03410	1.0
91.05471	3.2
95.04973	35.7
99.65202	0.7
105.04517	16.0
107.04958	100.0
108.04485	2.9
108.05309	2.1
108.08148	0.8
112.84685	0.6
124.03909	0.7
124.31406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	1.4
65.03944	9.1
67.05503	1.4
69.87126	1.1
69.87463	0.6
72.47621	0.5
77.03926	0.9
79.05495	18.4
80.05036	2.5
91.05482	100.0
92.05781	3.2
92.06284	2.4
95.04977	3.2
96.04490	0.7
98.23479	0.7
103.05491	0.6
105.04542	1.5
105.07033	33.1
106.06548	0.5
106.07395	0.9
107.04949	13.5
107.06092	0.9
107.08596	52.9
108.04489	3.3
108.05202	0.9
108.08124	2.0
108.08935	1.7
109.06518	18.0
119.06064	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	1081.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04478	0.2
79.01859	0.2
81.03448	0.2
82.40314	0.1
83.04990	0.3
84.71121	0.1
85.02910	11.4
87.04491	0.3
93.03415	0.2
95.04987	0.3
104.70918	0.1
107.01292	0.1
109.02879	0.3
110.03673	0.1
111.00811	0.8
111.04438	0.4
115.05547	0.1
121.02850	0.6
123.04442	0.1
125.02327	0.1
127.03941	0.1
129.05484	3.6
135.04411	0.1
137.02357	2.4
137.03403	0.1
143.03461	0.2
145.06508	0.1
147.04474	0.1
147.06552	0.9
149.02374	0.4
153.01833	5.4
155.04927	0.2
160.07738	0.1
161.06004	0.2
163.03972	0.5
165.01842	1.7
166.02675	0.2
167.03604	0.1
171.41365	0.1
173.06000	0.4
177.01910	0.1
177.05516	0.2
183.02919	0.7
183.04451	0.2
187.03947	0.2
191.03421	0.3
195.02942	0.3
201.05484	1.4
203.03360	0.1
205.04948	0.2
207.02869	0.1
211.04080	0.1
213.05513	0.1
215.03462	0.1
219.02899	0.1
219.06665	0.3
221.04582	0.1
228.04140	0.1
229.02701	0.2
229.04980	3.3
233.04494	0.2
239.03513	0.2
245.04549	0.2
247.06058	0.6
251.05510	0.6
257.04453	2.4
257.07187	0.1
263.05518	0.3
274.04868	0.6
275.05347	0.3
285.03958	1.1
286.48767	0.1
287.05469	0.4
299.05569	0.1
302.04150	0.2
303.04996	100.0
304.05350	0.9
315.04874	0.8
316.05804	0.1
327.04947	0.1
329.06604	0.1
345.06036	0.9
367.08176	0.1
369.06079	0.3
395.07578	0.2
413.08585	0.5
431.09967	0.4
449.10800	3.4
463.09290	0.1
1035.78479	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03951	5.0
55.01869	3.5
55.05502	1.7
65.03934	2.9
67.05165	0.9
67.05507	13.6
69.67653	2.8
79.05492	26.9
80.72062	0.8
81.03401	1.9
81.07053	29.1
84.51569	0.9
91.05470	8.4
94.04192	2.8
107.04919	1.9
109.06516	100.0
109.10149	8.6
110.06024	4.3
110.06865	3.4
127.77978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03950	3.6
55.01875	4.7
55.05500	1.5
65.03946	2.6
65.46397	0.5
66.04729	0.5
67.05504	16.1
67.32982	0.4
68.05824	0.4
69.07052	1.4
69.23423	0.7
69.23830	1.9
72.62265	0.4
79.05495	28.6
80.05821	0.9
81.03417	1.8
81.07060	29.9
82.07379	0.7
91.05482	9.5
92.05834	0.6
94.04179	1.9
95.04979	1.1
97.00625	0.5
98.23498	0.5
105.04498	0.7
107.04957	0.8
107.08577	0.6
108.86600	0.5
109.06519	100.0
109.07563	2.7
109.10162	11.5
110.06042	5.5
110.06848	3.0
113.06709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01876	4.4
55.05508	2.2
57.08248	0.6
65.03947	3.1
67.05505	20.5
67.05867	1.1
69.07065	1.4
69.86549	1.3
69.86934	0.9
77.03934	0.6
77.92096	0.6
79.05499	27.2
80.05830	0.9
81.03426	1.4
81.07059	33.8
82.06590	1.4
82.07391	0.7
91.05492	8.9
91.06005	1.1
94.04208	2.8
95.04993	1.2
98.23310	0.9
107.04971	1.1
109.06522	100.0
109.07574	3.6
109.10152	13.1
110.06050	10.7
110.06842	2.5
117.26707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.76403	0.7
51.76632	0.7
53.03948	3.6
55.01878	5.6
55.05511	3.0
64.47520	0.8
65.03930	2.4
67.05156	1.3
67.05506	21.0
69.48593	1.8
74.20821	0.6
76.69003	0.9
79.05496	29.7
80.05827	1.0
80.50226	0.6
81.03408	1.9
81.07056	30.7
82.06586	2.4
82.07386	0.8
91.05487	10.1
94.04185	2.1
98.50703	0.7
109.06520	100.0
109.07592	7.3
109.10157	14.2
110.05336	1.4
110.06061	15.8
110.06847	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	109.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
55.01875	4.0
55.05505	1.3
62.39336	0.4
65.03945	2.7
65.63813	0.4
66.04720	0.9
67.04253	0.6
67.05503	11.6
69.07069	0.7
70.83681	0.5
79.05497	28.6
80.05020	0.4
80.05827	0.8
81.03413	5.2
81.07059	29.3
82.06582	1.4
82.07360	0.4
84.50067	0.3
85.54433	0.4
87.00490	0.4
91.05489	7.4
94.04197	2.7
95.04957	0.6
102.18487	0.4
107.04951	1.0
107.08584	0.7
109.02878	1.2
109.06520	100.0
109.07577	4.2
109.10161	6.5
110.06049	10.3
110.06853	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	110.0367
Annotation	p-Benzosemiquinone
Peak:m/z	Relative Intensity
53.03945	0.9
54.04295	0.9
54.04727	0.9
54.75267	0.4
55.01872	1.8
55.05509	1.4
56.05042	2.2
56.96573	6.2
57.03449	0.4
65.03951	2.4
65.70237	0.4
67.04254	1.2
67.05508	0.7
68.05029	1.1
68.95319	0.7
69.03421	0.5
69.04572	0.4
69.59750	1.4
74.78242	0.4
75.01049	0.4
76.51614	0.8
80.05038	0.8
81.03429	3.6
81.04563	0.8
82.03754	2.8
82.04209	11.3
82.05316	1.4
82.06584	4.9
83.04990	1.5
83.06109	14.4
87.00473	1.7
87.01596	0.6
87.04288	0.9
92.05006	0.7
93.03430	0.9
93.04533	9.2
96.02134	1.0
98.22871	0.9
98.97578	0.4
110.03678	100.0
110.06058	32.6
110.07181	15.8
110.07913	0.6
110.09712	0.4
110.97618	1.1
111.04545	4.8
111.05589	2.1
111.06349	0.7
111.09216	0.6
117.96996	0.4
128.98624	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	110.0606
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
55.05511	1.2
56.96566	0.7
63.92757	0.3
65.03947	15.7
67.04247	0.3
67.05499	0.4
68.05035	0.4
68.71456	0.3
75.19895	0.3
80.05020	0.3
82.03761	0.3
82.06592	3.7
83.04980	1.4
83.06116	0.4
87.00471	1.2
88.00504	0.4
92.05012	51.7
93.03413	5.0
93.04526	0.3
93.05347	1.2
97.00974	0.3
110.06051	100.0
111.04449	9.1
111.05603	1.7
111.06390	3.0
111.09214	0.4
115.96421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1102.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01846	0.4
81.03413	2.8
83.01340	2.7
85.02902	1.6
90.88279	0.4
92.06377	0.4
95.01331	2.9
97.02876	1.4
99.04444	0.4
101.02375	0.7
107.01262	0.5
109.02862	0.5
111.00793	1.0
113.17818	0.4
115.05435	0.8
117.05457	1.0
121.02810	0.7
123.00770	1.2
130.27278	0.4
131.04898	0.8
139.00240	3.3
147.04396	1.1
153.01807	2.0
159.04379	0.6
161.02361	0.4
163.03900	0.9
165.06996	0.5
166.53014	0.4
169.01334	1.0
171.04414	1.1
175.03876	0.9
179.04871	0.5
181.06439	1.0
183.04440	0.9
185.00848	4.0
185.06015	0.6
186.01653	0.6
187.03963	0.9
189.01802	1.2
193.06454	0.7
195.04366	0.5
197.06003	0.9
199.03877	2.0
201.01746	1.0
203.03387	1.6
204.04242	0.4
205.01408	0.5
205.04861	0.5
205.06541	1.0
207.04449	0.8
209.05960	0.7
211.03931	1.2
213.05498	2.0
215.03384	2.8
217.01363	0.9
219.02930	0.5
221.05951	1.3
223.03897	1.2
225.05418	1.2
227.03371	1.7
227.07045	0.6
229.01350	1.3
229.04865	1.0
231.02835	3.4
232.03687	0.7
233.06073	0.7
235.03947	0.9
237.05519	2.3
239.03392	1.6
239.07011	0.8
241.01274	0.7
241.04945	2.4
243.02870	3.4
245.00757	1.5
245.04469	0.8
246.78790	0.5
247.02321	1.1
247.07471	0.5
249.05472	2.5
251.03404	1.4
251.06992	0.6
253.04955	2.7
255.02940	2.3
257.00720	1.7
257.04437	1.8
259.02295	5.5
260.03171	3.2
261.03842	10.5
263.03506	0.8
263.06937	0.7
264.04306	0.6
265.04971	2.4
267.02829	2.1
267.06461	1.3
268.03772	0.6
269.01367	0.5
269.04370	4.0
271.02283	2.3
271.05600	0.4
273.00308	3.2
273.03894	2.1
275.01379	2.0
276.02579	1.4
277.04852	1.8
277.25876	0.4
279.02847	1.4
279.06244	1.0
281.01263	0.8
281.04407	3.8
282.04822	0.5
283.02325	2.8
283.05789	1.0
285.00470	1.0
285.03946	3.0
286.00983	1.0
287.01773	6.6
287.05164	0.6
289.03204	9.3
291.01410	0.5
291.06369	1.0
293.04410	3.2
293.07449	0.6
295.02353	3.0
295.05960	2.4
297.03876	6.7
298.04724	0.5
299.01910	7.3
299.05298	0.9
300.02759	0.5
300.99759	4.1
301.03418	5.6
302.00516	1.4
303.01282	4.5
303.04538	0.6
305.04343	3.5
307.02304	1.8
307.05780	0.8
309.00632	0.6
309.03827	2.8
311.01822	1.5
311.05460	1.8
312.99719	1.3
313.03329	11.3
314.04294	0.7
315.01422	15.2
315.04968	2.9
317.03128	0.8
319.02417	0.8
319.05930	0.7
321.04016	4.0
323.01804	6.3
323.05484	2.3
324.02682	1.2
325.03381	5.3
326.00635	0.6
327.01260	7.1
327.04980	5.3
328.99323	16.6
329.02945	3.3
331.05405	0.5
333.04089	2.9
335.01877	0.6
335.05362	1.9
337.03378	6.3
338.04059	0.6
339.01251	7.1
339.05020	5.3
340.01999	0.8
340.99323	0.8
341.02917	10.9
341.06519	1.4
341.10062	0.4
342.03607	0.7
343.01303	0.4
343.04578	4.5
345.02362	8.2
347.05493	0.9
349.03348	3.3
350.04150	0.6
351.01315	3.4
351.05026	3.9
352.98691	0.7
353.02914	11.2
353.06738	1.0
355.00693	2.0
355.04449	9.1
357.02396	0.8
357.06323	0.5
361.03198	1.8
361.07196	0.5
362.04150	0.7
363.01190	1.0
363.04932	1.8
365.02838	8.0
365.06906	0.7
366.03668	0.8
367.00620	1.1
367.04517	11.4
369.02304	7.5
369.06122	4.4
371.04102	2.8
375.05063	0.7
377.02954	4.2
378.03641	0.7
379.00662	5.1
379.04553	5.7
380.01511	0.9
381.02255	9.2
381.06213	1.3
382.03122	0.5
383.04086	6.4
385.05685	5.3
387.03366	3.5
389.02808	1.7
391.04510	2.6
392.01715	0.5
393.01984	4.0
393.05365	0.8
393.06677	0.7
395.03955	19.2
397.01776	13.6
397.05722	5.8
398.02277	0.9
399.03366	2.4
401.04633	1.3
403.07010	2.1
405.02142	2.8
406.03427	0.5
406.99323	4.1
407.04993	3.5
409.01007	2.8
409.06735	2.0
410.02533	0.6
411.03433	23.7
413.05026	2.9
415.03018	1.4
417.02130	0.6
419.04016	1.7
421.01257	1.3
421.05588	1.6
423.03409	17.1
425.01099	1.6
425.05627	1.0
426.01834	1.4
427.02927	50.4
428.03683	0.7
429.04535	2.7
431.03915	1.0
433.05814	0.9
435.04156	5.3
437.05124	1.4
439.06570	1.8
441.04507	4.7
443.04367	0.6
445.03992	8.9
447.04825	4.1
449.04919	1.2
451.07010	2.5
453.00781	100.0
454.00867	1.1
455.05881	0.7
457.03262	0.8
459.04599	0.9
461.05130	0.9
463.06952	2.0
465.04532	3.9
471.01868	43.3
477.04425	4.8
479.06216	0.6
481.07513	2.0
483.05276	1.8
489.04260	4.7
495.05615	6.4
499.08627	1.7
501.06528	0.7
507.05637	4.0
513.07080	10.0
517.09528	0.5
519.07660	0.8
525.06757	5.6
531.08215	5.5
543.06281	3.3
561.07721	3.1
573.05402	2.7
579.09674	3.4
585.05200	1.0
587.20825	0.5
591.05945	1.4
597.10492	1.4
603.05597	1.1
815.78107	0.5
917.06079	0.6
965.05249	0.7
977.05701	0.7
983.05945	1.7
995.07635	1.9
1001.08557	1.0
1013.09528	2.4
1031.10596	2.0
1049.10889	3.7
1067.10388	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	1106.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01862	8.9
81.03440	0.7
83.01351	0.6
89.03924	0.2
91.05549	0.2
95.01360	0.2
97.02904	2.0
99.04495	0.2
103.05528	0.1
107.01332	1.8
109.02890	1.0
111.00763	0.2
111.17185	0.1
113.29504	0.2
123.00797	0.6
125.01669	0.1
125.02356	3.5
127.03930	6.0
131.04909	0.5
133.02864	0.2
139.00250	0.8
143.03412	7.9
144.77213	0.2
145.04965	2.0
147.04407	0.2
153.01843	100.0
153.02911	5.8
154.02182	0.3
157.01369	0.1
159.04430	0.7
163.03918	0.5
171.02977	0.3
171.04364	0.2
177.01840	0.2
177.05495	0.5
179.03381	0.4
179.64369	0.2
185.00847	0.7
187.03943	0.4
189.05519	0.4
191.03432	0.5
197.00743	0.1
205.04971	1.5
207.02904	0.5
213.05553	0.1
215.03436	0.2
217.05032	0.2
219.02956	0.3
233.04463	2.6
235.02103	0.2
237.04008	0.4
241.05186	0.2
247.02469	0.2
257.00943	0.2
261.03964	3.8
269.04315	0.3
279.05099	1.3
285.03830	0.2
287.02020	0.7
295.02576	0.3
297.03329	0.2
297.06525	0.9
303.01450	0.3
305.00726	0.2
307.02573	0.3
313.00031	0.3
313.03543	0.4
320.14105	0.1
323.01941	0.6
325.03482	0.4
328.99384	0.5
341.02994	0.2
343.04605	0.3
351.01422	0.4
353.02963	0.5
369.02444	1.2
371.04086	0.4
379.00952	1.3
381.02481	1.1
397.01941	1.2
399.03702	0.2
407.00314	1.3
409.01923	0.4
425.01404	0.5
427.03009	10.0
434.99734	0.8
449.07272	0.1
453.00934	21.7
471.02124	1.0
513.02875	0.2
535.05103	0.3
561.03247	0.2
579.04321	0.9
597.05402	0.9
749.06146	1.0
883.07074	0.2
919.07635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.127
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01853	2.5
81.03410	2.8
83.00870	0.2
83.01337	3.5
85.02885	0.9
89.03899	0.3
91.05442	0.8
95.01292	0.7
97.02895	2.0
99.04434	0.5
101.02322	0.3
101.03883	0.2
103.05450	0.9
105.03362	0.3
107.01295	0.8
109.02178	0.2
109.02866	3.7
111.00813	1.7
112.01562	0.2
115.05446	0.5
117.03348	0.2
119.04910	0.5
123.00788	1.5
125.02331	1.3
127.03912	2.0
129.03333	0.8
131.04926	1.3
137.02272	0.2
139.00246	5.5
140.00970	0.2
143.03380	1.7
145.02808	0.7
145.04945	1.2
147.04416	1.8
150.87798	0.2
153.01817	15.9
153.02931	1.3
153.06844	0.2
155.04901	0.2
157.01303	1.0
157.02820	2.1
158.03722	0.2
159.04391	0.7
161.02310	0.6
163.03868	0.4
166.99727	0.4
167.04826	0.2
169.01305	2.1
171.03021	0.3
171.04356	1.4
173.02354	1.0
174.03183	0.2
175.03894	2.9
176.04637	0.2
177.01822	0.8
183.04384	0.3
185.00780	6.0
185.02348	2.3
185.06007	0.5
186.01561	1.0
186.03018	0.3
187.02368	0.3
187.03865	5.6
189.01773	1.1
191.03473	0.9
193.04922	0.2
195.04390	0.3
197.05783	0.4
199.03868	1.8
201.01831	2.0
202.02545	0.4
203.03381	5.1
204.04134	0.6
205.01346	0.9
205.04807	0.2
207.04416	0.3
207.91595	0.2
209.06007	0.3
211.03894	0.3
213.01826	5.1
213.05331	1.1
214.02592	0.4
215.03372	7.1
216.04143	0.2
217.01300	1.3
217.04915	0.3
218.02048	0.3
219.02815	1.0
221.05930	0.2
223.03848	0.4
225.05400	0.4
227.03363	0.3
229.01299	2.5
230.02081	0.4
231.02866	23.8
232.03537	0.8
233.04489	0.3
235.03946	0.3
237.05411	0.7
239.03433	1.0
241.01299	4.1
241.04878	1.1
243.02864	2.8
245.00764	0.8
245.04620	0.2
246.01570	0.3
247.02321	3.5
251.03427	0.7
253.04906	1.2
255.02986	0.4
255.06424	0.2
257.00806	4.2
257.04376	0.5
258.01624	0.3
259.02368	36.4
260.03131	7.0
261.03931	18.5
265.04871	0.5
265.50281	0.2
267.02856	1.2
268.03516	0.2
269.01019	0.4
269.04422	2.2
270.98618	0.2
271.02328	0.4
273.00302	2.5
273.03543	0.3
274.00989	0.2
275.01834	5.7
276.02640	2.1
277.03403	69.7
278.03821	0.4
279.02689	0.9
281.01550	0.2
281.04501	1.4
283.02338	0.5
285.00290	2.5
285.03909	1.5
286.01065	2.4
286.98608	0.4
287.01852	8.1
287.05020	0.3
289.03409	1.2
291.01086	0.9
293.04520	0.5
295.02341	1.9
296.03302	0.3
297.03873	4.9
299.01901	0.9
299.05215	0.4
300.99780	1.9
301.03049	0.3
302.00439	1.7
303.01328	27.9
304.01834	0.2
305.00696	1.0
305.03964	0.2
307.02432	1.6
309.03860	1.1
311.01794	0.5
311.05469	0.6
312.02670	0.3
312.99744	1.4
313.03403	4.1
314.04272	0.4
315.01309	2.6
315.05014	1.2
321.02264	2.0
323.01843	4.2
324.02695	0.5
325.03415	2.9
326.03943	0.2
327.01227	0.7
327.04965	1.3
328.99261	9.3
329.02786	0.8
331.00876	0.3
333.00146	0.3
335.01807	1.0
337.03378	2.1
339.01398	0.8
339.04852	1.0
340.98877	0.3
341.02844	3.3
341.06805	0.3
342.03714	0.8
343.00540	0.2
343.04434	2.4
345.02234	0.3
347.00534	0.6
351.01294	2.9
351.05170	0.2
352.02020	0.5
353.02914	6.3
355.00687	0.8
355.04474	2.2
357.02438	0.4
357.06003	0.8
363.01425	0.9
365.02875	1.3
367.00412	0.3
367.04486	2.3
368.01468	0.3
369.02338	4.0
370.03082	0.3
371.03949	2.2
378.95898	0.2
378.97119	0.1
379.00775	5.4
380.01483	0.9
381.02377	7.7
383.00220	0.2
383.04041	1.7
385.01022	0.3
385.05554	3.2
387.03275	1.0
391.00674	0.4
393.02301	0.7
397.01880	7.4
398.02689	0.6
399.03427	2.6
401.05011	1.4
407.00269	7.8
408.00894	0.4
409.01837	2.5
410.02704	0.5
411.03452	4.5
421.01645	0.2
424.00577	0.3
425.01331	3.2
426.02075	2.6
427.02933	100.0
428.03223	1.0
429.04474	6.0
434.99747	3.5
436.00287	0.3
437.01437	0.3
439.02744	0.4
443.02338	0.3
444.03232	2.8
445.04025	11.5
447.05408	1.6
452.00116	0.6
453.00854	95.2
454.01230	1.1
465.00983	0.3
465.06735	1.5
471.01920	50.3
472.02072	0.6
489.02451	0.8
505.04120	0.4
507.05591	0.3
513.02881	0.6
517.03528	0.3
535.04950	0.6
553.05756	0.5
561.03278	0.4
579.03809	0.9
597.05054	20.3
598.05164	0.3
615.06104	20.5
623.02856	0.3
633.07117	2.1
685.52295	0.2
767.07660	0.9
881.04828	0.3
899.04871	0.7
917.06567	2.5
935.07697	8.1
953.09064	0.4
954.49677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
78.80628	0.1
79.01852	10.6
81.03415	1.7
83.01335	2.3
85.02887	0.2
89.03874	0.2
95.01310	0.8
95.04994	0.2
97.02893	2.8
103.05445	0.4
105.07028	0.2
107.01313	2.5
109.02882	1.4
111.00793	0.7
115.05444	0.7
119.04998	0.2
123.00782	1.8
125.02349	4.3
127.03909	9.0
131.04932	1.3
133.02863	0.2
139.00269	3.0
139.03874	0.3
143.03386	9.2
145.04932	0.8
147.04372	0.6
153.01823	100.0
153.02908	7.2
154.02185	0.6
157.01309	0.6
157.02711	0.2
159.04430	1.6
161.05977	0.5
163.03906	1.4
166.99802	0.3
169.01323	1.3
171.03056	0.3
171.04431	1.1
173.11369	0.2
175.03941	0.4
177.01907	0.4
177.05464	1.2
179.03383	0.6
183.04436	0.3
185.00818	3.3
185.02324	0.3
185.05975	0.2
186.01517	0.2
187.03847	1.1
189.01860	0.6
189.05461	1.4
191.03419	1.2
195.02818	0.3
197.00790	0.3
197.05925	0.2
199.03963	0.9
201.01826	0.3
202.02657	0.2
203.03386	0.6
204.04167	0.4
205.01344	0.7
205.04958	2.7
207.02893	0.8
209.04482	0.3
213.05392	0.3
215.03398	2.1
217.01324	0.5
217.04968	0.5
219.02824	1.5
223.02234	0.3
229.01382	0.4
229.05046	0.3
230.02217	0.2
231.02852	1.7
232.03635	0.3
233.04425	5.4
237.03951	1.1
239.03372	0.4
241.01378	0.3
241.04977	0.6
242.01997	0.2
243.02852	1.8
245.00826	0.5
246.01776	0.3
247.02397	0.6
251.03452	0.4
253.04999	0.6
257.00800	0.7
257.04489	0.3
259.02399	2.6
260.03116	3.5
261.03946	21.5
267.02911	0.6
269.04465	1.3
271.02301	0.2
273.00317	1.1
274.00867	0.2
275.01852	1.1
276.02692	0.3
277.03427	0.7
278.03711	0.3
279.05133	3.3
281.04382	0.5
283.02158	0.3
285.00458	0.3
285.03949	0.8
286.01062	0.8
287.01840	3.7
287.04932	0.4
291.01407	0.6
295.02371	0.7
297.03619	1.4
297.06662	3.0
300.99893	0.8
302.00760	0.4
303.01361	1.3
305.00754	0.4
307.02322	0.7
309.03766	0.4
312.99799	0.8
313.03442	1.8
314.04056	0.2
315.04593	0.3
323.01773	2.4
325.03458	2.1
326.04306	0.2
328.99274	2.8
329.02960	0.2
335.01794	0.7
337.03253	1.0
339.01315	0.2
341.02847	1.5
342.03726	0.7
343.04541	1.6
351.01276	1.8
353.02905	4.3
354.03638	0.2
355.00684	0.2
357.02411	0.3
360.99857	0.3
363.01389	0.6
365.03012	0.4
368.01389	0.3
369.02359	3.2
369.06491	0.3
370.03397	0.2
371.03900	1.2
379.00839	3.3
380.01385	0.3
381.02432	4.6
382.03391	0.2
383.00232	0.2
397.01907	4.8
398.02780	0.7
399.03625	0.7
406.95221	0.3
407.00320	3.5
407.05002	0.2
408.00677	0.3
409.01895	2.8
410.02744	0.4
411.03317	0.8
424.00735	0.4
425.01355	2.4
426.02216	3.8
427.02945	88.2
428.03357	1.2
429.03952	0.4
434.99759	2.0
435.99786	0.2
437.01465	0.6
443.02567	0.5
445.04007	13.2
449.07370	0.8
451.02988	0.3
452.00107	0.4
453.00867	68.7
454.01047	1.3
455.01526	0.3
467.08182	0.9
470.00836	0.2
471.01953	21.4
472.02325	0.4
481.01035	0.2
489.03195	0.7
513.03003	0.4
535.04669	0.9
553.06067	1.9
561.02692	0.4
567.04004	1.5
579.04059	4.1
597.05072	43.9
598.05249	0.6
615.05811	0.5
623.03076	0.4
705.06860	0.6
749.05682	1.0
767.07349	2.1
919.07086	0.2
937.09424	3.2
1096.81494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01851	12.5
81.03421	2.2
83.01332	2.9
91.15899	0.2
95.01324	0.7
97.02894	2.8
99.04420	0.4
103.05441	0.5
105.07058	0.2
107.01310	3.1
109.02852	1.6
110.17489	0.2
111.00800	1.1
113.54050	0.3
115.05462	0.7
123.00801	1.7
124.01626	0.3
125.02346	5.3
127.03909	10.3
131.04927	1.6
139.00264	3.9
143.03394	10.6
145.04932	0.9
147.04364	0.4
153.01825	100.0
153.02930	8.3
154.02148	0.9
157.01328	0.7
157.02815	0.3
159.04410	1.6
161.02399	0.3
161.06015	0.3
163.03894	1.2
166.99791	0.3
169.01335	1.3
171.02963	0.4
171.04393	1.0
175.03947	0.5
176.04631	0.3
177.01778	0.6
177.05438	1.2
179.03397	0.9
181.01210	0.3
184.20799	0.2
185.00806	3.5
185.02322	0.4
186.01627	0.3
187.02397	0.5
187.03914	1.2
189.01886	0.6
189.05450	1.7
191.03412	1.4
193.05054	0.2
195.02818	0.3
199.03902	1.1
199.29903	0.3
201.01903	0.3
203.03314	0.8
204.04019	0.5
205.01343	0.7
205.04951	2.5
207.02888	0.8
213.01920	0.5
213.05556	0.3
214.02701	0.2
215.03419	2.7
217.01297	0.3
217.04947	0.7
219.02913	1.5
223.02225	0.4
229.01334	0.6
231.02898	1.9
232.03746	0.7
233.04428	5.6
235.02298	0.3
237.03940	0.9
239.03374	0.3
241.01253	0.5
241.05045	0.5
242.02261	0.3
243.02899	1.8
245.00841	0.4
246.01498	0.3
247.02533	0.5
251.03336	0.6
253.05023	0.4
255.02921	0.4
257.00845	1.0
259.02380	2.6
260.03183	4.3
261.03940	24.4
262.04446	0.3
267.02954	0.7
269.04437	1.7
270.98920	0.2
273.00204	1.5
275.01910	1.0
276.02744	0.5
279.02905	0.4
279.05161	3.7
281.04358	0.3
283.02402	0.3
285.00696	0.4
285.03958	0.9
286.01154	0.6
287.01880	3.1
291.01440	0.8
295.02396	1.0
296.03006	0.3
297.03677	1.5
297.06668	3.3
300.99951	0.5
302.00400	0.5
303.01297	1.5
305.00769	0.5
307.02411	0.6
309.04034	0.5
311.01877	0.3
312.99799	0.8
313.03452	2.5
314.03949	0.4
315.04865	0.4
323.01776	2.4
324.02612	0.4
325.03412	2.4
326.04413	0.3
328.99246	2.7
329.02844	0.4
335.01801	0.8
337.03192	1.2
339.01328	0.3
341.02750	1.3
342.03705	0.8
343.04456	1.9
351.01404	1.5
352.01917	0.4
353.02908	4.2
357.02597	0.3
363.01328	0.7
365.02869	0.6
368.01370	0.3
369.02444	3.7
371.03955	1.8
379.00861	3.6
381.02341	5.2
382.02881	0.4
397.01917	4.8
398.02551	0.7
399.03741	0.4
407.00262	3.5
409.01846	2.7
410.02600	0.5
411.03391	0.9
425.01181	2.1
425.79788	0.3
426.02115	3.2
427.02948	90.8
428.03281	2.4
434.99860	1.7
437.01434	0.8
443.02405	0.4
445.03986	14.6
446.04456	0.4
449.07034	0.8
451.02853	0.3
452.00320	0.3
453.00864	71.1
454.01086	1.8
467.08273	0.7
471.01950	24.9
472.02432	0.7
489.03281	0.4
513.03131	0.5
535.05347	1.3
553.06268	2.3
561.03156	0.3
567.04254	1.6
579.04120	5.5
597.05090	48.5
598.05493	1.4
605.01556	0.3
615.05542	0.6
623.03125	0.7
705.06641	0.7
705.40222	0.3
749.06134	1.5
767.07117	2.3
785.08228	0.3
937.09473	4.1
1064.72058	0.3
1132.34827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
57.03434	0.7
65.03941	2.1
67.05506	18.7
68.05827	0.4
69.97128	0.4
69.97508	0.4
71.04994	100.0
71.66457	0.2
71.94112	0.6
72.05328	2.0
85.06528	0.5
95.04973	5.9
113.02377	0.3
113.06017	2.7
129.45769	0.2
131.27042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	2.0
85.02905	1.0
89.03911	0.1
91.05477	0.5
97.02890	0.5
99.04482	0.9
101.02367	0.2
103.05470	0.9
107.04973	0.2
109.02876	1.5
119.04967	0.4
127.03921	1.7
129.03374	0.4
131.04933	0.5
132.62648	0.1
145.02884	0.2
145.04987	0.3
147.04404	0.9
153.01790	0.3
157.02859	1.1
159.04358	0.3
163.03925	0.7
173.02336	0.6
175.03922	1.7
177.05528	0.1
185.02316	1.0
187.03909	4.1
191.03358	0.5
201.01833	1.2
203.03384	3.1
213.01816	3.1
215.03400	3.8
215.05228	0.1
217.01366	0.2
219.02879	0.5
229.01335	1.5
230.01978	0.2
231.02884	17.6
232.03336	0.2
233.04550	0.1
241.01314	3.2
247.02405	2.4
257.00812	2.5
257.03467	0.2
257.04578	0.1
258.01398	0.2
259.02386	30.8
260.02930	0.4
261.04025	0.2
273.03946	0.2
275.01855	3.8
276.02679	1.4
277.03427	100.0
278.03754	0.8
285.00290	1.8
289.03372	0.8
297.04013	0.1
301.03525	0.1
303.01352	37.7
304.01627	0.4
313.03528	0.3
315.01431	0.7
315.04510	0.2
321.02390	4.8
328.86911	0.2
328.99280	0.3
341.02997	0.3
343.04422	0.2
345.02530	0.2
353.02655	0.1
355.04550	0.2
357.06015	0.2
363.03461	0.8
367.04419	0.4
385.05600	0.7
387.03482	0.9
394.99435	0.2
399.03745	0.2
405.04504	0.2
411.03503	0.5
429.04602	1.1
447.05499	2.0
465.06674	6.5
483.07724	1.8
509.06268	0.1
589.07013	0.2
767.07074	0.8
784.94641	0.2
785.08313	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	1156.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03425	1.7
85.02905	1.0
89.03899	0.4
91.05500	0.4
97.02902	0.3
99.04476	0.9
101.03915	0.2
103.05479	0.6
107.04941	0.2
109.02878	1.5
117.03376	0.6
119.04979	0.2
127.03917	1.7
129.03401	0.3
131.04935	0.4
135.04446	0.8
145.02888	1.0
145.04961	0.4
147.04399	0.7
152.73650	0.2
153.01849	1.2
153.02963	0.3
157.02852	1.0
159.04376	0.2
163.03905	7.5
164.04272	0.2
168.00856	0.1
173.02351	0.6
175.03911	1.3
185.02319	1.2
187.03920	3.5
191.03432	0.6
201.01813	1.1
203.03426	2.5
207.51013	0.1
213.01834	3.0
215.03380	3.1
219.02959	0.4
229.01358	1.3
230.02016	0.3
231.02898	15.7
241.01335	2.5
247.02367	2.1
257.00848	2.0
259.02399	28.3
260.02869	0.5
269.04663	0.2
273.00522	0.2
275.01849	3.4
276.02618	1.0
277.03439	100.0
278.03787	1.1
285.00281	1.4
289.03336	0.7
297.04092	0.2
302.00507	0.2
303.01361	36.3
304.01715	0.5
313.03601	0.3
315.01593	0.9
321.02423	4.8
328.99237	0.4
339.00958	0.2
339.04953	0.3
343.04382	0.3
345.02570	0.2
355.04297	0.2
355.10257	0.4
363.03491	0.8
367.04361	0.2
383.03827	0.3
385.05573	0.4
387.03439	0.8
405.04391	0.2
411.03433	0.6
427.03006	0.4
429.04633	1.0
447.05621	1.8
453.01007	0.5
465.06723	7.0
471.01999	0.3
476.78723	0.2
483.07813	2.3
767.06940	0.8
784.10333	0.3
785.08307	3.4
802.11420	0.2
1098.33374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.92856	0.6
53.03938	1.2
55.05496	1.0
62.14994	0.6
65.03936	2.4
74.06091	0.9
78.04708	0.8
79.05500	6.3
91.05482	63.4
92.05797	1.6
93.07041	4.3
95.04964	2.9
96.04556	0.6
103.05476	8.0
104.06248	8.7
105.04482	1.1
115.05447	2.6
116.93896	0.7
117.07015	15.7
118.07409	1.1
119.06075	2.9
119.08577	100.0
120.04444	0.9
120.05576	2.6
120.08093	1.9
120.08910	4.4
129.99316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
65.03941	39.4
66.04268	1.0
69.49204	1.4
69.49607	0.8
71.01333	0.4
79.05489	4.2
91.05479	3.8
93.03413	2.1
93.04543	1.0
93.07043	8.2
94.06560	0.5
95.04960	2.6
103.05486	2.0
105.04527	1.5
105.07037	7.9
106.07809	0.8
106.09833	0.4
107.07332	1.6
111.04442	25.5
112.04762	0.7
114.42651	0.4
119.08588	0.7
121.02872	100.0
121.03979	42.4
121.06449	4.2
121.10143	6.3
122.03195	3.3
122.04280	0.9
122.06046	0.9
122.09664	3.1
122.10427	0.6
123.08040	0.9
133.07632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11272	0.6
53.03939	0.7
55.01863	1.2
63.02373	0.7
65.03939	42.6
66.04271	0.9
68.99805	1.0
71.45156	0.8
77.03929	1.0
79.05486	4.0
91.05483	5.1
93.03413	2.5
93.04527	1.8
93.07047	7.4
95.04953	4.3
103.05466	4.2
105.04556	0.9
105.07028	9.9
107.07364	4.5
111.04440	27.9
119.08557	1.2
121.02881	100.0
121.03987	44.7
121.06517	6.8
121.07408	1.1
121.07626	1.0
121.10120	7.1
122.03135	3.6
122.04390	1.2
122.06043	1.6
122.09657	6.8
132.31284	0.7
133.07581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
55.05528	5.6
62.46173	3.6
63.65231	3.0
65.03947	8.4
69.23361	20.8
77.03931	8.2
78.32832	3.3
79.05501	50.3
80.05034	4.2
81.06998	4.0
91.05493	41.4
93.04533	11.1
93.07049	74.3
94.06602	4.4
95.04987	28.3
103.05479	26.8
105.04556	7.3
105.07034	100.0
106.07858	8.1
107.07358	15.4
119.08585	14.3
121.02891	13.7
121.03989	24.2
121.06525	29.1
121.07642	8.9
121.10140	71.0
122.06039	17.4
122.09678	41.7
123.08096	6.6
123.99039	3.5
133.07635	12.0
136.42897	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01871	1.0
56.96564	1.6
58.99874	1.2
65.61772	0.7
67.05507	3.8
71.06813	0.8
77.03955	1.0
79.05472	1.0
80.05018	11.1
81.07049	2.0
82.01450	21.5
82.99819	1.2
93.77404	0.6
95.04971	13.3
95.06083	1.4
95.08607	0.8
96.04506	9.8
100.02487	100.0
101.00876	16.3
101.02547	3.4
101.49302	0.6
105.03806	1.1
105.04476	1.7
106.02918	1.1
112.03981	1.9
118.03525	60.9
119.01924	78.5
123.04457	5.5
123.05554	43.5
123.08067	2.3
123.09194	5.1
123.11636	0.7
124.03952	11.2
124.07601	2.5
136.04521	1.4
137.02959	29.2
140.03419	2.0
141.05109	0.9
141.59224	0.8
142.03474	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15453	1.0
58.99877	1.2
69.66930	3.1
77.00897	1.2
82.01454	41.0
82.99830	2.2
89.60276	1.0
98.22962	3.4
100.02493	100.0
100.92813	0.9
101.00886	29.1
101.02597	4.2
108.69505	1.0
118.03530	40.1
119.01928	89.3
123.04117	1.6
123.05550	2.0
137.02975	19.9
142.03514	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	123.0809
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02381	0.9
53.03946	1.4
55.01864	0.8
55.05513	4.2
57.03418	0.5
57.07076	1.3
66.64264	0.6
67.05511	20.6
68.06583	0.6
69.03429	1.1
69.07066	1.2
70.30206	1.0
77.03941	0.9
77.69441	0.5
78.03462	1.2
79.05498	8.0
80.05025	13.3
80.05763	0.6
80.33817	0.6
81.03438	0.7
81.07064	43.0
81.72341	0.6
82.07399	0.9
83.37415	0.5
91.05482	1.2
93.07058	4.7
95.01337	1.1
95.04980	9.6
95.06091	1.2
95.08619	17.8
96.04498	8.1
98.23040	1.2
100.02473	1.3
101.00899	1.5
103.05485	0.8
105.03388	1.4
105.04517	0.9
105.07022	4.9
106.02939	0.8
106.06637	0.7
106.07376	2.1
108.05743	4.3
108.06960	0.6
108.07651	2.6
112.03972	3.9
118.03510	1.2
119.01918	9.4
123.04459	11.9
123.05563	45.9
123.08076	100.0
123.09889	5.3
123.11689	9.6
124.03963	17.8
124.04868	0.7
124.05912	1.0
124.07580	2.2
124.08434	3.7
137.02951	5.1
140.03439	2.1
142.03452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03949	0.8
55.01876	0.5
55.05507	3.2
57.07072	1.1
58.11792	0.4
65.03951	0.5
65.93365	0.3
67.05504	15.1
68.05029	0.7
69.03435	0.7
69.07069	0.6
69.72107	1.2
78.03455	0.8
79.05497	5.6
80.05021	9.5
81.07058	29.3
82.07359	0.7
91.05479	0.5
93.07050	3.1
94.07776	0.3
95.01335	1.1
95.04971	3.1
95.06101	0.7
95.08607	9.3
96.04504	5.4
98.23397	0.6
100.02492	1.0
101.00890	0.9
105.04521	0.5
105.07040	3.1
106.02913	0.4
106.07370	1.2
108.05744	2.3
108.07675	2.1
111.05507	0.4
112.03961	2.8
118.03543	0.6
119.01922	6.5
121.10130	0.6
123.04545	1.2
123.05566	30.5
123.08068	100.0
123.09899	4.4
123.11684	8.1
124.03955	12.6
124.05926	0.6
124.07577	1.4
124.08421	3.1
125.26100	0.3
137.02962	2.4
140.03407	1.9
142.03519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03942	2.0
53.68034	0.5
55.01870	0.8
55.05258	1.0
55.05512	12.3
56.16726	0.5
56.35302	0.5
57.07060	0.5
58.94637	0.5
65.03934	1.9
67.05504	52.6
68.05854	1.2
71.46595	0.9
79.05482	5.0
80.05011	9.5
80.05782	0.7
81.03416	5.1
81.07062	12.9
91.05479	4.0
93.07047	10.1
95.04968	31.1
95.08604	42.1
96.04492	5.8
96.05280	1.3
96.08231	0.5
96.08923	0.9
96.38047	0.5
100.02475	1.6
101.00884	2.3
103.05515	0.6
105.04510	1.2
105.07011	3.4
106.07365	1.3
107.04945	1.4
108.05726	3.6
108.06947	0.7
108.07668	1.8
111.05598	0.7
112.03937	2.8
119.01915	10.3
123.04470	3.2
123.05560	29.3
123.08066	100.0
123.09870	3.8
123.11688	2.5
124.03957	11.9
124.05903	0.9
124.07552	2.0
124.08413	3.6
130.56709	0.6
137.02953	4.8
140.03432	2.0
142.03485	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	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03941	1.7
55.01881	1.0
55.05513	11.9
55.88533	0.4
55.93024	0.4
65.03940	1.2
67.05505	57.2
68.05840	1.3
69.03426	0.4
77.03896	0.6
79.05492	4.4
80.05002	2.9
80.06277	1.0
81.03420	5.8
81.07056	8.4
81.07507	0.8
83.04949	0.5
91.05486	3.0
93.07046	11.9
93.07607	0.8
95.04970	31.5
95.08605	45.4
96.04494	1.0
96.05310	0.7
96.08932	1.6
98.22811	0.5
101.00922	0.5
105.07027	3.0
107.04942	1.1
108.05740	2.4
112.03963	0.6
118.50837	0.4
119.01935	3.5
121.08459	0.4
123.05582	11.3
123.08068	100.0
124.03954	3.9
124.07567	1.0
124.08414	2.9
132.13570	0.4
137.02934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
55.05512	2.2
67.05514	16.8
69.03455	0.6
69.07077	0.5
69.54648	1.3
77.03923	1.2
79.05499	7.7
80.05031	5.0
80.06270	1.5
81.07063	10.5
90.04691	0.5
91.05515	0.5
93.07058	3.5
95.04977	4.6
95.08617	33.7
95.36398	0.4
96.04490	3.0
96.08946	0.7
100.02442	0.6
101.00938	0.7
103.05464	1.6
105.04530	1.5
105.07038	12.3
107.04964	6.9
108.05748	46.9
109.06041	1.1
112.03979	1.8
119.01950	3.1
121.06512	7.4
122.06826	0.6
123.04455	9.7
123.05566	19.3
123.08078	100.0
123.11695	3.2
124.03970	7.7
124.07584	1.3
124.08415	3.5
125.06009	1.3
133.07643	0.9
135.05598	0.6
137.02962	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	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.72613	0.4
53.03951	0.9
55.05516	3.6
67.05508	16.1
68.05013	0.6
69.03427	1.5
69.16751	3.3
78.03455	1.1
79.05499	3.4
80.05024	10.3
81.07062	11.0
91.05483	0.6
93.07056	3.2
95.04497	0.4
95.04976	11.4
95.06114	1.0
95.08616	12.4
96.04503	5.4
98.23087	2.5
100.02486	0.8
100.19164	0.5
100.94490	0.6
101.00894	2.8
104.04049	0.5
105.04554	0.7
105.07040	4.7
106.02919	0.8
106.06636	0.5
108.05757	3.3
111.05550	0.8
112.03974	2.3
118.03519	0.6
119.01932	15.4
121.06519	0.7
123.04548	2.0
123.05569	39.4
123.08076	100.0
123.11710	2.1
124.03102	1.1
124.03964	13.6
124.05913	1.3
124.07588	2.5
124.08435	3.2
124.53713	0.5
137.02972	7.0
140.03442	1.4
142.03465	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	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03935	1.2
55.05512	5.1
57.07067	1.3
65.03929	0.8
67.05507	22.3
67.05869	1.2
67.22157	0.5
68.05023	0.5
68.05838	0.6
69.07051	0.6
79.05489	7.1
80.05018	8.8
81.03407	1.5
81.07056	25.6
82.07376	0.6
91.05468	0.8
93.07048	4.7
95.01314	0.5
95.04970	9.9
95.06046	0.7
95.08605	21.0
96.04491	4.8
100.02480	1.5
101.00866	2.0
105.04568	0.8
105.07035	4.3
107.04959	0.9
108.05748	7.8
108.07655	0.8
111.05542	0.8
112.03950	2.3
113.10672	0.5
118.03523	1.1
119.01914	12.0
121.06532	1.1
123.04498	2.7
123.05559	32.7
123.08069	100.0
123.11686	7.9
124.03962	13.4
124.04887	0.7
124.05879	0.8
124.07589	1.8
124.08437	2.7
125.94173	0.5
137.02951	5.2
140.03453	1.5
142.03493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0809
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.11143	0.6
53.03944	3.0
55.05259	0.8
55.05516	11.5
60.44948	0.6
65.03946	1.4
67.05513	54.9
77.03936	0.9
79.05494	4.8
80.05022	9.5
81.03422	5.0
81.07066	17.1
91.05487	2.8
93.07056	10.9
95.04977	30.2
95.06135	1.2
95.08615	46.0
96.04504	6.1
96.08942	1.0
100.02496	1.6
101.00886	3.0
105.07038	3.0
106.07362	0.8
108.05746	4.2
108.07700	1.1
112.03980	2.7
117.42588	0.7
119.01937	11.1
123.04475	4.4
123.05569	33.3
123.08081	100.0
123.09995	2.0
123.11652	3.9
124.03971	12.5
124.07595	1.7
124.08437	3.2
137.02971	5.0
140.03409	1.7
142.03535	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.6
56.22599	1.0
57.07074	3.5
58.23860	1.1
59.47791	1.1
65.03943	1.8
67.05506	18.3
68.05013	1.4
69.07069	2.4
69.23934	4.7
69.24331	1.7
76.47383	1.0
78.03457	2.5
79.05484	7.6
80.05019	32.9
81.07056	61.9
91.48687	1.1
93.07069	2.5
95.04983	7.6
95.06042	1.5
95.08598	15.5
96.04501	18.2
96.26759	1.0
100.02482	5.1
101.00870	7.0
105.04508	1.5
105.07032	3.4
106.02887	1.3
106.07380	1.7
108.05754	5.1
111.05555	2.0
112.03978	7.5
118.03513	2.4
118.93818	1.1
119.01920	42.7
121.10227	1.2
123.04478	9.0
123.05553	100.0
123.08067	28.0
123.09165	6.8
123.09977	2.3
123.11699	26.0
124.03955	39.0
124.05864	3.8
124.07613	8.1
124.08382	2.0
124.12014	1.9
137.02963	21.4
139.05045	1.5
140.03424	4.4
142.03511	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
51.95272	0.6
53.03946	1.5
55.05506	3.5
57.07073	6.3
57.09259	0.5
65.03963	0.5
67.05160	0.9
67.05505	13.4
69.07059	2.6
69.45689	2.3
79.05491	12.0
80.05016	7.4
80.05799	0.5
81.07054	100.0
82.07394	3.3
92.89167	0.5
93.07056	1.9
94.07806	0.9
95.04997	1.1
95.08602	16.8
96.04504	3.5
96.08154	0.5
96.08925	0.6
98.22667	1.0
100.02494	1.1
101.00898	1.7
105.07059	0.6
106.02934	0.6
106.07306	0.8
108.07644	1.2
108.09377	0.9
109.27011	0.5
112.03966	2.4
119.01922	9.0
121.10139	1.7
123.04465	1.7
123.05546	20.6
123.08070	5.3
123.09164	1.5
123.10016	2.1
123.11702	41.3
124.03951	11.7
124.05886	0.8
124.07581	1.9
124.12038	2.1
137.02956	2.6
140.03442	1.5
142.03497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07932	0.2
69.81302	0.5
77.60220	0.2
82.01446	0.5
82.99842	2.9
83.01521	0.8
96.04503	0.2
96.97005	0.2
100.02476	0.9
101.00886	36.7
101.02562	1.8
102.00929	1.0
102.02232	0.6
111.00462	0.3
118.03577	0.2
119.01925	100.0
120.01997	3.8
120.03269	0.3
121.02346	0.5
124.02468	0.9
124.03975	0.8
137.02962	22.0
138.03021	0.9
142.03506	6.4
143.03539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03949	4.1
53.45809	0.7
54.03469	0.8
55.05520	5.1
56.05036	0.9
68.05032	4.6
69.07065	2.2
70.73360	0.8
70.73705	0.8
77.03921	1.3
78.03466	1.3
79.05491	49.3
80.05019	14.0
81.05796	61.5
81.07055	16.1
82.02919	1.9
82.06123	1.4
82.06570	3.2
83.04926	1.2
83.55279	0.7
94.06558	7.6
95.04981	4.9
96.04500	7.1
96.08127	87.1
97.06528	1.3
97.08460	1.8
98.23054	1.1
101.00881	3.8
105.04522	2.7
106.06553	28.2
107.04954	1.9
107.06863	1.1
109.05247	2.2
112.03975	6.2
112.71828	0.8
115.93127	0.8
119.01913	19.6
124.03957	22.3
124.07585	100.0
125.07121	1.7
125.07928	2.3
135.10828	0.9
137.02962	4.9
140.03416	3.2
142.03433	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0965
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03942	6.1
55.05525	25.7
68.15462	3.6
69.03432	13.6
69.07084	7.8
70.70193	8.0
76.96115	4.4
79.05501	67.7
80.05028	11.9
81.07058	30.6
82.06593	20.9
83.04991	93.3
83.07699	4.1
83.08683	5.0
84.96043	9.5
91.05469	19.4
96.06889	3.6
97.02894	5.9
97.06535	25.2
97.27089	3.4
97.27759	4.3
98.23132	6.3
105.07047	9.5
107.04960	5.1
107.06105	14.0
107.08607	100.0
108.04488	47.4
109.06526	6.3
120.02049	17.3
121.01684	8.3
125.02354	4.8
125.04357	7.1
125.06011	16.6
125.07132	37.7
125.09652	80.9
125.10658	9.8
126.05527	47.0
126.09136	6.8
138.03093	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	126.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05516	20.2
56.05043	2.6
57.03429	0.5
58.06598	0.9
65.03931	0.4
67.05515	0.6
69.03442	2.9
69.09757	2.3
70.02944	0.4
70.06596	5.3
71.04999	0.5
79.05499	6.9
80.05017	1.3
81.03445	0.7
81.07061	25.5
82.06579	0.3
83.08118	0.5
83.08624	9.1
84.04504	1.7
84.08155	2.8
84.96048	1.0
91.05484	1.5
93.05779	2.4
96.04491	2.4
97.05279	13.3
98.06065	10.7
98.09700	8.9
98.23064	1.8
108.04485	6.1
108.07382	0.7
108.08124	13.9
109.02880	0.9
109.06524	24.5
110.06062	0.4
110.06831	0.5
111.06835	0.9
121.01659	1.9
126.05543	6.4
126.09159	100.0
127.03925	1.2
127.09506	2.0
127.12765	0.3
139.02707	0.7
142.58110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.03949	6.8
54.09985	0.6
55.01861	1.9
55.05499	1.8
58.06586	1.9
67.05482	2.1
69.03434	5.0
69.07046	1.2
71.04973	2.2
71.44528	0.8
81.03418	62.7
81.07043	2.1
82.03738	2.3
82.06569	2.7
84.08144	18.6
85.02892	0.8
85.05141	0.8
85.06522	1.0
97.02896	12.7
99.04433	2.2
100.07604	0.9
109.02880	100.0
109.04839	2.5
109.10141	1.4
110.03207	3.4
110.06056	1.2
110.08022	0.7
119.63976	0.7
122.97903	0.6
127.03922	44.6
127.04866	1.5
127.05870	2.6
127.07322	1.4
127.08663	1.1
127.09505	2.1
127.12342	0.7
128.07083	2.5
128.10727	1.7
137.00362	0.7
142.73209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0393
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03957	3.0
55.01875	1.1
55.05509	0.3
58.06604	1.1
67.05515	0.6
69.03429	1.6
70.20976	0.2
71.01345	0.3
71.10424	0.3
79.05501	0.3
81.03437	5.1
81.07070	1.2
82.06570	0.8
84.07671	0.5
84.08154	7.8
85.06559	2.2
97.02917	0.6
98.22903	0.3
99.04459	0.3
100.07609	0.3
109.02892	9.5
109.04851	0.4
114.97237	0.2
127.03930	100.0
127.12329	0.4
128.04295	2.2
128.07117	0.7
131.28560	0.2
144.38924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02377	0.5
51.87238	0.6
53.03946	6.8
54.11531	0.5
57.03421	0.6
64.38469	0.6
65.82281	0.7
69.03420	2.0
71.04996	0.9
71.83430	0.6
73.20485	0.6
81.03417	65.9
81.07033	0.9
82.03738	1.2
84.08140	3.9
90.05582	0.6
97.02892	10.7
98.23518	1.1
99.04486	0.7
109.02877	100.0
110.03220	3.1
110.05952	0.6
127.03912	28.2
128.04248	1.1
128.93552	0.7
146.64128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	5-Hydroxymethyl-2-furaldehyde
Peak:m/z	Relative Intensity
51.02371	0.9
53.03942	16.5
55.01869	11.0
55.05497	2.0
56.96565	1.6
57.03428	2.6
58.06590	1.7
67.05504	1.8
69.03429	62.0
70.03761	1.8
70.06568	1.3
70.72852	1.0
71.01344	1.1
71.04980	5.0
79.05495	1.1
81.03416	62.0
81.04514	3.6
81.05347	1.0
81.07047	3.7
82.03751	1.5
82.06597	5.3
83.01333	1.5
84.08136	19.1
85.02898	2.4
85.06528	2.9
86.06083	1.7
95.01337	3.5
95.64181	0.9
97.02890	8.8
99.04461	6.8
100.07662	1.4
109.02876	100.0
109.04815	3.4
109.06548	1.3
109.07641	6.5
110.03212	2.6
110.06023	2.3
121.01687	1.9
122.02022	1.2
127.03913	47.8
127.04880	2.0
127.05836	2.3
127.07087	1.7
127.08641	7.3
128.07068	4.5
142.61748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01880	4.1
55.05510	19.3
56.05022	2.1
57.03440	25.5
57.07070	4.6
59.04992	1.8
61.90725	1.4
67.05508	3.0
69.03428	31.5
69.07070	20.1
71.04995	72.0
83.04982	38.0
83.08630	2.3
84.04520	6.6
84.08142	27.1
85.02908	56.7
86.09719	7.6
94.06573	1.6
99.04456	4.1
111.04441	13.5
112.07609	100.0
128.06229	8.8
129.05490	3.7
129.07001	9.2
129.10248	4.9
129.99570	2.1
130.06544	13.8
130.07651	2.2
130.08638	27.4
130.15945	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	129.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05509	29.4
57.03186	2.2
57.03441	33.2
57.07071	2.5
61.37893	2.0
65.39073	2.0
69.03426	23.1
69.07072	22.2
71.04995	100.0
72.85338	2.0
82.52357	2.1
83.04982	53.9
84.04497	6.1
84.08145	20.5
85.02903	85.8
86.09711	5.9
87.10059	2.2
90.94721	2.1
98.80536	2.1
99.04478	4.9
111.04438	16.6
112.07600	65.2
128.06227	35.8
129.05504	4.2
129.07021	49.2
129.10220	3.2
129.11070	5.2
130.06569	10.0
130.08679	19.2
145.06505	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1277
Annotation	Sulcatol
Peak:m/z	Relative Intensity
51.77105	0.4
51.85517	0.4
53.03944	0.7
53.15295	0.4
55.05515	23.2
57.03425	0.9
57.07077	2.0
67.05520	1.9
69.03427	5.9
69.07072	100.0
69.48227	1.7
69.48563	0.5
70.07411	1.6
71.04988	2.1
74.09730	0.6
83.04984	1.1
83.08616	2.3
84.04523	1.2
84.08157	4.6
84.79605	0.4
85.02920	1.5
86.09722	1.0
98.22746	0.8
98.23339	0.8
101.10825	0.4
106.54531	0.4
111.11754	0.8
112.07613	17.8
113.07158	0.5
122.60452	0.5
128.06250	1.0
129.05516	0.4
129.07021	1.3
129.10210	0.5
129.11061	0.4
130.06529	2.3
130.08650	5.6
130.15942	0.6
146.46925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
52.96595	0.8
57.07079	55.1
69.03423	6.6
71.04955	0.9
74.09721	43.2
84.08138	5.6
99.51727	0.7
112.06882	1.6
112.07610	18.9
113.07911	0.8
129.06931	0.8
130.06552	2.9
130.08624	4.4
130.15924	100.0
131.16255	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	131.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02719	0.4
62.42935	0.4
65.03950	0.5
67.05507	7.4
69.03434	3.8
69.07067	0.4
70.03765	1.7
70.10450	0.4
70.10781	1.1
71.01358	9.3
71.01720	0.7
71.04997	100.0
72.05342	1.6
85.08494	0.9
89.02400	5.1
95.04982	3.6
113.06014	13.4
113.07946	8.9
131.07088	1.1
131.08986	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	131.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
67.05513	6.6
69.03432	4.2
70.03780	1.8
71.01365	10.0
71.04999	100.0
72.05326	1.5
75.04176	0.5
85.08495	1.5
89.02406	6.9
95.04988	3.4
98.23244	2.7
113.06020	12.7
113.07221	0.9
113.07950	9.9
131.07072	1.4
131.08165	0.4
131.08990	2.5
148.92255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	3-Oxobutyl acetate
Peak:m/z	Relative Intensity
51.95221	0.5
65.03948	0.6
67.05505	7.2
68.96387	0.5
69.03432	2.1
69.83639	1.5
71.01360	9.4
71.04996	100.0
72.05332	1.5
75.53600	0.6
76.73389	0.6
89.02393	5.5
95.04958	4.3
98.23421	0.8
113.06012	12.1
131.01221	0.5
131.07079	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	131.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04073	0.5
53.03945	0.5
56.96577	0.5
57.16686	0.4
65.03947	0.5
67.05162	0.5
67.05511	7.8
69.03448	2.2
69.48687	2.1
70.03787	0.6
71.01361	14.3
71.04997	100.0
71.40860	0.4
72.05330	1.2
89.02401	7.5
95.04993	3.1
102.34585	0.4
113.06017	9.8
113.07983	1.2
131.07088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.42310	0.3
55.04332	0.4
56.96558	1.3
57.03428	0.6
57.05813	0.6
58.06605	0.7
60.74354	0.3
67.05498	0.4
69.07072	16.7
71.04987	0.4
72.05320	1.2
75.60542	0.3
84.08151	0.4
86.09708	100.0
87.10027	1.8
98.97576	0.8
110.01244	0.3
131.52977	0.3
132.06561	0.5
132.08423	0.6
132.10216	1.0
150.96989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05496	1.9
55.07015	0.4
62.07329	0.4
62.48760	0.3
65.81713	0.3
67.05495	0.4
69.54825	1.2
73.86670	0.3
77.03918	0.8
79.05492	4.2
86.15392	0.3
91.05479	15.5
93.07041	4.7
95.04981	1.1
98.23441	0.6
103.05450	2.0
105.07028	39.3
106.07354	0.7
107.08582	1.3
115.05437	4.2
116.06245	1.0
117.07017	5.6
118.07803	6.3
129.07027	0.8
131.08563	5.9
133.10127	100.0
134.10454	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	133.1015
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05504	1.3
57.03444	0.5
70.06587	1.1
70.31519	0.6
70.31842	0.7
72.08148	0.5
74.02437	0.7
79.05505	3.3
80.37753	0.5
87.09993	0.5
91.05496	8.6
93.07061	4.2
95.04975	1.3
103.05493	1.3
105.04506	0.6
105.07040	28.2
110.98203	0.5
115.05457	2.4
116.06231	0.7
116.07070	0.8
117.07046	2.2
118.07822	3.8
131.08582	3.6
133.07695	4.2
133.10139	100.0
134.06058	1.0
134.07092	0.9
134.08147	0.8
134.10504	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	133.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03532	0.2
53.03948	0.6
55.05519	1.8
57.11829	0.2
59.81018	0.2
65.03956	0.4
65.27425	0.2
67.05514	0.5
70.06593	0.5
74.02448	0.6
77.03934	0.4
79.05505	4.3
80.36337	0.2
91.05490	14.7
91.49506	0.2
92.05813	0.5
93.07058	4.0
94.07437	0.2
95.04987	1.0
103.05473	2.6
103.57034	0.2
105.04597	0.6
105.07043	38.0
106.07395	0.8
107.08624	1.2
115.05470	4.4
116.06261	0.8
117.07027	5.9
118.07813	6.0
121.97266	0.2
129.07025	0.4
131.08582	5.2
132.08900	0.3
133.10143	100.0
134.10472	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	134.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99092	0.9
55.01869	1.2
56.05044	9.2
57.03431	1.4
57.61948	0.9
59.98827	1.4
59.99119	25.0
60.89537	0.8
61.80532	0.8
68.05029	0.8
69.03448	1.1
69.65354	3.2
70.06596	3.4
71.05001	1.2
72.08154	1.4
74.02446	10.9
78.00179	5.0
79.05502	5.8
88.02223	44.7
88.04009	1.4
88.07648	2.9
89.02558	1.0
89.03908	1.3
92.05010	5.6
92.90076	1.5
93.05802	1.1
95.04989	3.0
98.11781	0.9
98.22773	1.7
98.23376	1.7
105.02485	3.4
105.04538	1.6
106.03265	22.2
106.06577	2.4
106.07340	1.0
107.04971	9.5
107.06048	1.7
116.05338	12.9
116.07105	2.4
134.06332	82.8
134.07170	100.0
134.99725	1.2
135.04442	5.7
135.05560	2.8
135.06673	2.9
135.07513	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	134.0715
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
50.55091	0.1
51.31078	0.1
56.14518	0.1
57.03437	0.2
65.03925	0.7
68.05025	0.2
70.06591	0.5
71.05020	0.2
72.36282	0.1
74.02438	1.3
79.05505	0.7
80.05019	0.3
88.04043	0.2
88.07625	0.6
89.03936	0.9
91.05533	0.2
92.05012	5.3
92.90086	0.1
93.05793	1.0
95.04945	0.4
98.15559	0.2
98.97617	0.2
105.04515	0.3
106.06570	0.2
107.04969	1.3
107.06075	1.1
107.08669	0.2
111.26089	0.1
114.47728	0.1
116.07150	0.2
117.03385	0.4
119.81900	0.1
134.07146	100.0
135.04424	1.4
135.05504	0.4
135.07535	2.2
135.09055	0.2
154.46106	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	134.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01122	0.4
56.05030	0.9
56.11079	0.5
56.96560	0.6
57.39032	0.4
58.06589	2.7
59.07384	0.8
68.05033	0.6
69.03429	0.6
70.06594	33.3
70.18050	0.6
70.18363	0.4
71.04997	14.9
71.06919	0.6
72.08160	12.0
73.20249	0.4
74.02444	100.0
74.06081	1.7
75.02787	0.9
79.05494	1.1
81.03426	0.5
88.04002	0.9
88.07634	26.9
89.03910	0.8
90.08663	0.9
90.09200	11.8
99.04469	4.7
102.09190	8.2
106.06562	1.0
107.04993	1.1
116.07101	9.6
134.06035	2.2
134.07101	1.1
134.08121	9.2
134.11769	39.3
135.04510	0.5
135.12134	0.8
144.69580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68996	1.4
59.04995	2.7
66.88020	1.9
70.07034	5.4
77.44668	1.7
79.05489	12.4
91.05502	4.8
95.04955	10.7
95.05461	1.6
98.97586	2.9
105.04524	4.6
107.04959	24.6
107.06094	3.1
109.01116	4.0
116.98630	3.4
134.99734	2.1
135.04431	12.4
135.05539	8.7
135.06540	4.2
135.08063	2.9
135.09169	5.1
135.11673	1.9
136.02159	100.0
136.06168	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	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.64388	0.8
53.03931	1.5
59.03106	0.8
60.78006	0.8
63.02365	3.9
70.22559	1.6
71.44424	0.7
77.03928	2.5
79.05497	14.4
89.03919	100.0
90.04250	2.3
91.05460	1.2
95.04962	6.6
105.04516	3.0
107.04954	18.5
108.32578	0.8
117.03380	42.3
118.03746	1.2
124.02447	0.8
135.04417	93.6
136.02142	5.8
136.04755	1.2
136.06189	1.3
139.50394	0.8
145.03955	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	135.0443
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03945	2.8
55.01883	1.1
62.01600	1.5
63.02369	3.0
65.03934	1.5
67.60219	1.3
67.64755	1.3
69.10030	7.6
77.03932	2.1
79.05495	23.4
80.05009	1.2
89.03918	100.0
90.04285	2.0
91.05491	8.8
93.07063	6.4
95.04965	11.4
103.30379	1.3
105.04514	7.1
105.07010	1.4
107.04952	28.6
107.08597	11.1
108.08156	2.1
109.01204	1.2
115.05454	4.7
117.03382	39.7
117.07013	2.5
119.06004	1.1
135.04420	93.8
135.05457	4.5
135.08057	10.4
135.09087	2.5
135.11700	4.8
136.02158	24.8
136.06186	4.8
136.07550	3.0
136.11232	2.7
145.03983	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	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03947	2.2
54.64271	1.5
55.01881	14.9
55.05514	2.4
59.43857	1.6
65.03953	8.4
66.30811	1.5
67.05508	6.9
69.03436	17.3
69.07062	1.8
71.44537	1.5
72.94917	1.7
77.03935	1.8
79.05504	75.5
81.07091	1.8
85.43312	1.8
91.05489	100.0
92.05807	2.9
92.06309	3.1
93.07053	35.0
95.04986	16.1
105.04507	4.4
105.07037	35.1
107.04967	10.4
107.08604	78.7
108.04504	1.7
108.08911	2.0
109.01110	3.0
109.06525	18.6
115.05466	33.0
117.07033	28.8
117.10403	2.2
119.06080	16.1
119.08599	4.5
126.54020	1.8
135.04407	5.1
135.05492	3.9
135.06564	3.4
135.08078	79.9
135.11678	10.9
136.02174	81.4
136.03894	3.7
136.06216	15.3
136.07555	4.6
136.08475	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	2.5
53.19474	0.9
55.05515	6.1
57.07079	1.3
57.29511	1.1
65.03925	2.1
67.05507	2.2
69.07056	1.9
70.87790	1.8
77.03918	3.2
79.05497	26.1
81.07066	2.0
91.05479	49.2
92.05805	1.5
93.07043	47.9
94.07338	1.4
95.04965	8.7
95.08636	1.2
105.04536	5.5
105.07026	25.6
106.07855	1.6
107.04956	7.9
107.08595	100.0
108.08192	1.2
108.08927	3.3
109.01051	1.2
109.06525	10.0
115.05478	3.0
117.07021	3.9
119.06078	6.2
119.08575	19.8
120.09390	6.8
128.64729	1.1
133.10109	1.8
135.04356	3.0
135.05386	1.1
135.08081	11.0
135.09064	1.5
135.11691	41.7
136.02155	30.1
136.03886	1.5
136.06186	7.1
136.07541	2.8
136.12039	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.03526	0.8
53.03958	1.6
55.05513	8.0
65.03927	1.1
66.04297	0.8
67.05523	3.7
69.07067	2.8
69.30435	4.4
69.32452	0.7
77.03937	1.4
79.05495	20.5
79.37325	0.7
81.07052	3.5
91.05485	32.1
92.05843	1.1
93.07047	59.2
94.07386	1.6
95.04969	6.4
103.47828	0.7
105.04516	3.0
105.07034	14.7
107.04970	2.1
107.08598	100.0
108.08939	2.9
109.01122	1.4
109.06510	6.6
115.05495	1.3
117.07021	1.5
117.58811	0.7
119.06069	4.7
119.08575	7.3
120.09364	2.1
129.06168	0.8
133.10136	1.3
135.04440	1.6
135.05504	1.2
135.06512	1.5
135.08096	7.5
135.09093	1.3
135.11694	25.6
136.02167	27.5
136.06200	5.9
136.07582	1.7
136.12035	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96574	0.2
57.28994	0.1
58.70627	0.1
65.38094	0.1
66.02229	0.1
67.02977	0.2
69.69789	0.2
69.70174	0.3
73.09953	0.1
73.10399	0.1
81.07050	0.2
91.05463	1.0
92.02499	0.3
94.04056	2.4
94.06551	0.2
98.23399	0.2
100.08447	0.1
108.08127	0.1
109.01132	0.7
109.05124	0.5
112.05098	0.2
118.06560	0.3
119.03552	6.9
119.04914	0.3
131.01866	0.3
136.02171	11.5
136.06184	100.0
136.99448	0.1
137.02435	0.4
137.04594	4.7
137.06662	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	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.3
67.02983	0.2
69.19814	0.2
72.43063	0.2
78.16553	0.2
91.05486	7.7
92.02518	0.3
94.04057	2.7
104.17893	0.2
104.40775	0.2
107.04971	0.4
108.05257	0.2
108.08154	0.3
109.05130	0.3
109.06557	0.2
113.00877	0.3
119.03561	7.4
119.04902	2.9
120.03922	0.2
131.01912	0.8
136.02180	5.9
136.06189	100.0
137.02638	0.2
137.04597	5.0
137.06587	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	136.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80613	27.1
66.57679	32.2
85.32137	26.1
90.93810	27.7
91.05463	75.9
113.73888	30.8
120.28690	26.8
124.93681	29.2
136.06171	37.2
136.99423	100.0
137.02455	82.0
137.05959	32.4
137.07089	79.1
138.05492	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80613	27.1
66.57679	32.2
85.32137	26.1
90.93810	27.7
91.05463	75.9
113.73888	30.8
120.28690	26.8
124.93681	29.2
136.06171	37.2
136.99423	100.0
137.02455	82.0
137.05959	32.4
137.07089	79.1
138.05492	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.59883	0.6
61.80032	0.6
65.03926	0.9
66.04729	2.9
79.05486	2.4
81.07043	1.9
83.11118	0.6
91.05496	3.5
94.04183	27.4
95.05003	1.2
107.04935	1.5
109.06506	0.8
109.07643	0.9
120.04502	1.0
122.03645	48.5
123.04045	0.8
124.46014	0.6
135.04379	0.7
137.02527	3.1
137.05972	100.0
137.10687	1.0
138.05450	1.7
138.06349	2.5
138.09085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.85656	0.2
51.02380	0.3
53.03945	0.5
55.01865	0.4
55.72050	0.2
58.69429	0.2
65.03934	1.0
66.04723	2.9
67.05511	0.3
69.03442	0.2
69.77393	0.2
69.77719	0.6
71.43446	0.2
77.03916	0.8
79.05489	2.8
81.07055	1.4
91.05484	2.1
94.04186	27.8
95.04465	0.5
95.04985	0.8
98.22691	0.2
99.65471	0.2
103.20336	0.2
104.28829	0.2
105.03412	0.5
105.04513	0.7
107.04947	1.7
109.06532	0.6
122.03645	51.1
123.03950	1.0
135.04424	0.5
137.05975	100.0
138.05319	0.3
138.06299	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	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
50.71486	0.4
65.03944	5.2
67.05481	0.5
71.44255	0.4
79.05489	1.3
81.03426	0.5
81.07076	3.5
82.06582	0.4
91.05484	100.0
92.05820	3.1
93.07086	0.6
94.04195	0.8
95.08607	0.6
96.04492	0.5
107.04972	0.6
108.06867	0.5
108.47234	0.5
109.06543	4.1
109.07646	0.9
110.06064	0.7
119.04949	39.5
120.04515	0.7
120.05312	1.2
122.03642	0.7
137.02513	5.4
137.05986	47.6
137.07076	3.1
137.10724	1.1
138.01749	1.3
138.05481	2.1
138.06378	1.0
138.09113	0.5
159.79213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	2.3
55.05506	2.9
56.22954	0.5
57.07064	0.9
65.03942	1.1
67.05509	30.5
69.03424	0.9
69.07072	1.8
70.56779	1.4
78.93587	0.6
79.05484	4.2
81.03420	10.4
81.07064	24.2
82.03764	0.7
91.05479	10.7
93.07040	4.2
94.04167	2.2
94.07835	0.8
95.04983	4.7
95.08611	22.7
97.25677	0.6
98.23006	0.8
105.04535	0.9
107.01331	1.7
107.04945	9.9
107.08608	3.2
108.06907	0.8
109.02884	1.6
109.06523	3.3
109.07674	1.1
109.10165	31.2
110.06025	0.9
117.07053	1.2
119.06152	0.6
119.08582	13.7
121.06520	5.8
122.03695	3.8
122.07295	68.5
123.07614	1.0
127.03941	3.2
134.29477	0.6
135.08046	2.8
137.02365	30.7
137.03482	15.2
137.04558	1.5
137.05972	9.2
137.07104	3.2
137.09624	100.0
137.13220	2.4
138.01741	1.1
138.05492	2.9
138.09979	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	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03954	2.5
55.01864	2.8
55.05291	0.7
55.05514	6.4
57.03426	1.2
64.37838	0.8
65.03946	2.2
65.92531	1.0
67.05508	51.6
69.03426	3.6
69.07063	2.3
70.72192	1.6
77.03900	1.1
79.05502	7.1
81.03419	3.2
81.07066	20.6
83.04981	3.0
88.56644	0.9
91.05486	22.0
92.05830	0.9
93.07045	6.6
94.04190	9.3
94.07819	1.4
95.04974	13.5
95.08611	11.2
98.22926	1.6
103.05492	1.0
105.04510	1.4
105.07040	1.4
107.04974	12.1
107.08624	4.6
108.05750	1.4
108.06869	0.9
109.05766	1.1
109.06525	42.8
109.10163	45.1
110.06038	1.4
110.10445	1.2
117.07021	3.0
119.06039	3.1
119.08583	15.8
119.33030	1.0
120.08907	0.9
121.06529	5.8
122.03651	11.3
122.07292	57.7
123.07657	1.4
135.08052	2.4
137.02417	4.4
137.03427	1.4
137.06003	20.7
137.07021	2.0
137.09622	100.0
138.01784	1.1
138.05496	2.3
138.09972	2.6
142.61725	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	137.0964
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.70302	2.4
55.01876	3.4
55.05526	14.2
57.07096	2.2
62.31472	2.2
64.20962	2.2
65.03950	6.1
66.56281	2.5
67.05515	100.0
69.03421	3.0
69.07086	4.6
79.05499	15.0
81.03434	8.6
81.07068	46.4
82.06605	3.4
91.05490	20.4
93.07039	12.0
94.04218	8.8
95.04986	21.2
95.06013	2.6
95.08620	36.2
96.04482	2.8
99.98134	2.6
107.04984	4.2
107.08620	8.8
109.06534	11.9
109.07647	4.7
109.10170	68.0
110.06050	6.4
117.07039	3.4
119.08598	10.0
119.89863	2.4
120.04506	3.9
121.06508	5.3
122.03674	17.5
122.07313	16.4
137.02490	28.0
137.04866	3.8
137.06006	40.1
137.07121	13.5
137.09637	71.3
137.10649	2.5
137.13264	5.0
138.01805	8.2
138.05518	14.5
138.09145	4.6
157.26212	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
54.51431	0.7
55.05505	1.8
65.03924	0.9
67.05162	1.2
67.05507	21.2
69.03436	1.3
69.35416	2.8
69.35836	1.6
77.42947	0.8
79.05486	2.6
81.03390	1.3
81.07058	7.7
91.05479	8.5
93.07043	2.3
94.04200	1.2
94.07845	1.1
94.10471	0.7
95.04972	2.2
95.08617	6.4
98.23413	1.3
101.25969	0.6
101.81465	0.7
103.05452	0.8
104.06255	0.7
107.04955	10.7
107.08610	1.2
109.06548	1.0
109.10158	31.6
110.06025	1.1
117.07021	1.6
119.08578	13.0
121.06509	7.6
122.03669	2.2
122.07288	76.1
123.07661	1.3
134.08673	0.8
135.08063	3.4
137.02440	4.1
137.06117	4.6
137.07236	1.9
137.09618	100.0
138.05518	1.1
138.09955	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03945	1.5
55.05519	14.7
55.39464	1.6
65.03936	2.7
66.19096	1.5
67.05504	100.0
69.03419	3.0
69.07073	7.7
69.72245	3.6
69.72614	2.9
79.05502	11.5
81.07056	40.5
83.05002	1.8
91.05487	13.0
93.07032	8.9
94.04216	2.0
94.72094	1.7
95.04971	13.6
95.06014	2.1
95.08611	23.1
96.04504	1.9
107.08606	7.2
109.06522	8.4
109.07629	2.8
109.10157	58.4
110.06056	2.8
112.52112	1.6
117.07029	3.8
119.06081	2.4
119.08554	8.1
122.03691	2.4
122.07271	2.5
128.98604	1.6
137.02530	12.2
137.06012	6.8
137.07121	7.0
137.09631	63.9
137.10643	3.0
138.05576	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	139.039
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.02370	0.7
53.03945	4.1
55.01871	0.8
56.96564	7.4
65.03942	2.9
67.05510	2.4
69.67183	0.4
69.79823	1.4
77.03922	5.2
93.07014	0.6
95.04967	100.0
96.05312	1.7
98.97582	27.9
105.04510	8.9
111.04437	2.2
116.98620	15.3
119.82677	0.5
121.02866	50.2
121.03970	5.8
122.03174	1.4
134.99666	5.6
139.03902	17.3
139.04950	1.0
139.07509	1.0
140.00189	0.4
140.04224	0.5
149.36089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80378	0.4
56.96566	18.4
66.06076	0.4
70.19196	0.9
71.95249	1.3
75.60745	0.4
91.24586	0.4
98.97583	100.0
116.98623	46.6
126.61977	0.5
134.99661	14.0
140.00146	0.7
145.13419	0.4
153.00702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01863	1.8
57.03441	14.9
65.03936	1.3
67.05503	2.1
69.07072	7.6
69.95589	3.7
71.04999	3.9
72.04519	3.4
79.05495	51.4
81.05823	1.7
81.07058	29.3
83.04977	1.4
96.04530	1.5
96.08118	3.7
97.06532	84.8
98.06875	2.4
106.06570	5.6
119.01983	1.9
124.07597	19.0
125.05994	100.0
126.06351	1.1
142.05019	1.4
142.08629	27.6
143.03354	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	142.0864
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
53.03949	3.8
55.01863	1.8
57.03441	14.9
65.03936	1.3
67.05503	2.1
69.07072	7.6
69.95589	3.7
71.04999	3.9
72.04519	3.4
79.05495	51.4
81.05823	1.7
81.07058	29.3
83.04977	1.4
96.04530	1.5
96.08118	3.7
97.06532	84.8
98.06875	2.4
106.06570	5.6
119.01983	1.9
124.07597	19.0
125.05994	100.0
126.06351	1.1
142.05019	1.4
142.08629	27.6
143.03354	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95853	24.6
63.70379	0.9
70.67505	1.4
71.36523	0.9
75.05807	0.9
84.96028	2.6
84.99596	1.2
98.06043	1.8
98.97581	6.5
101.00896	1.9
102.00920	4.9
102.02232	1.4
102.96869	100.0
103.00651	7.2
116.98638	4.6
119.01935	5.0
120.02015	15.7
120.03283	2.2
120.97908	56.7
121.01658	23.4
134.99670	1.7
137.02957	1.4
138.03026	3.8
138.04315	1.1
138.98941	19.6
139.02693	7.2
142.03473	1.2
144.03221	8.0
162.04315	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	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
55.05522	7.4
57.03441	2.0
59.05005	1.3
61.02935	17.0
62.92994	0.9
67.05511	18.4
69.03429	3.9
70.36305	2.9
71.01362	18.7
71.04996	17.3
75.70220	0.8
85.02926	4.9
85.06554	100.0
89.03928	1.6
91.05486	1.8
95.04990	3.6
97.02939	1.0
98.23071	2.1
99.04471	1.1
102.29631	1.0
103.03953	15.3
104.04279	1.0
109.86220	0.9
113.06023	1.4
118.06555	12.9
118.92318	0.9
121.96718	2.2
127.07542	6.4
127.41935	0.8
131.60132	0.9
140.69994	0.8
145.08585	2.1
146.06017	3.4
146.08159	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	6.3
67.37716	0.5
69.65367	1.7
69.65721	0.8
72.65567	0.5
84.04508	1.7
84.08137	1.3
85.21886	0.5
87.36390	0.4
91.05480	81.4
92.05800	1.6
95.04967	0.7
98.22695	0.5
103.05464	0.5
105.07000	0.7
119.04942	100.0
119.08580	2.4
120.05281	1.6
123.96455	0.6
129.04530	0.6
130.06561	0.7
147.04410	52.1
147.05432	2.5
147.09169	2.1
147.11676	0.6
148.04776	0.9
148.07611	0.7
158.18910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.92819	0.7
65.03941	8.4
73.34998	0.6
84.04497	1.1
91.05482	85.1
92.05782	1.0
98.22682	2.5
105.07024	1.3
111.65263	0.6
119.04945	100.0
119.08571	1.6
120.05300	1.4
147.04414	52.6
147.05429	2.3
147.08073	1.2
147.09177	1.5
147.11693	1.1
148.04779	0.7
148.07613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.24600	1.1
55.05502	3.6
55.49343	1.1
56.64683	0.9
59.62159	0.9
62.33378	1.0
63.91312	1.0
65.03951	7.7
65.18211	1.0
69.07068	14.6
69.11869	3.7
69.12292	2.7
83.08640	2.2
84.04503	1.9
84.08154	1.2
91.05481	89.6
92.05793	1.6
98.23430	2.2
103.05469	1.9
105.07034	7.8
106.06559	1.2
107.08610	1.4
119.04943	100.0
119.08590	16.9
120.05280	2.7
123.96446	2.5
130.04980	1.4
147.04419	54.6
147.05505	5.0
147.08086	3.9
147.09204	4.5
147.11674	11.0
148.04689	1.2
148.07568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37005	2.9
51.65464	2.7
55.05517	16.2
56.28409	2.7
57.03430	11.9
67.05508	2.4
69.07052	3.1
71.04994	39.5
71.21011	2.8
73.02911	3.4
75.04463	2.8
79.05493	6.9
84.04507	3.9
84.08163	2.5
85.02903	40.6
87.04471	3.1
87.65726	2.6
91.05482	59.9
93.07048	3.7
94.06979	2.6
94.60513	2.7
103.05419	3.5
105.06345	5.4
105.07030	75.2
105.80972	2.6
107.08584	11.7
109.89844	2.9
114.28221	2.7
117.07026	16.4
119.04941	26.4
119.08579	100.0
123.96474	4.3
128.06123	2.5
132.09319	7.7
145.10143	7.8
147.04401	14.8
147.05540	7.2
147.08054	13.5
147.09203	6.7
147.11690	64.4
148.07544	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	147.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02864	8.6
57.03429	35.2
69.25401	35.7
69.25813	14.3
71.04991	95.1
82.46280	10.2
85.02908	76.8
87.68003	8.2
91.05479	100.0
102.42125	9.4
104.41286	9.0
105.07038	28.4
117.07003	16.1
119.04967	81.3
119.08594	51.7
122.78789	9.2
129.07001	14.8
147.04434	49.1
147.05482	14.2
147.08133	13.7
147.09178	12.0
147.11678	30.5
164.31029	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	147.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02864	8.6
57.03429	35.2
69.25401	35.7
69.25813	14.3
71.04991	95.1
82.46280	10.2
85.02908	76.8
87.68003	8.2
91.05479	100.0
102.42125	9.4
104.41286	9.0
105.07038	28.4
117.07003	16.1
119.04967	81.3
119.08594	51.7
122.78789	9.2
129.07001	14.8
147.04434	49.1
147.05482	14.2
147.08133	13.7
147.09178	12.0
147.11678	30.5
164.31029	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	147.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.0
57.03429	12.6
64.92789	2.1
65.03921	3.7
67.08496	2.0
69.07089	2.9
70.85281	2.2
71.04997	44.8
73.02928	2.7
79.05494	5.1
84.04507	8.9
84.08150	2.4
85.02906	42.1
86.91487	2.4
91.04943	3.8
91.05486	64.3
92.52198	2.1
93.07054	3.0
102.05554	2.1
103.05455	2.6
103.81299	2.2
104.06263	2.0
105.07040	63.6
107.08597	5.8
117.07002	12.8
119.04954	31.1
119.05915	2.5
119.08595	100.0
120.08141	2.3
123.96452	2.5
129.06958	2.6
130.06526	3.1
132.09343	4.6
145.10141	6.6
147.04431	20.4
147.05544	6.7
147.08073	12.9
147.09189	7.3
147.11703	70.3
148.07553	5.9
150.78500	2.1
155.18680	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
55.02404	0.9
64.92813	6.3
68.15530	0.8
73.44905	0.8
76.65927	0.9
79.05519	1.5
81.11320	0.8
84.08142	1.6
91.04939	1.6
91.05482	23.4
93.07027	1.1
100.02016	0.8
103.05469	2.3
104.06242	1.4
105.07015	1.2
115.05439	0.8
117.07018	18.4
119.08582	100.0
120.08932	2.3
123.96452	11.0
128.06166	1.2
129.07011	5.3
146.97984	1.6
147.04393	1.9
147.05540	4.5
147.08064	24.5
147.09174	3.7
148.07608	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	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.80008	0.9
64.92802	3.9
69.84970	0.7
79.05489	1.8
84.08150	1.4
90.49978	0.7
91.05485	24.5
93.07062	1.7
97.66002	0.8
103.05490	3.2
104.06243	1.4
105.07072	1.4
107.04984	0.9
107.86615	0.7
109.06490	0.9
115.05506	1.2
117.07014	15.4
119.08584	100.0
120.08142	1.0
120.08936	2.4
123.96468	8.4
128.06250	1.3
129.07014	6.2
132.05734	1.3
147.04436	1.2
147.05528	5.8
147.08070	27.7
147.09200	5.3
148.07594	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03954	0.9
53.12937	0.8
53.71333	0.8
54.12813	0.7
55.05508	8.0
65.03955	1.1
67.05487	1.7
69.07068	1.7
69.39858	0.8
69.46145	4.2
71.04995	3.4
79.05493	7.0
81.07069	1.1
84.04504	3.0
85.02905	2.5
87.64459	0.9
91.05481	41.0
92.05816	1.3
93.07035	4.1
95.04976	1.4
99.26837	0.8
103.05452	4.2
104.06253	1.1
105.07032	65.1
106.07345	0.8
106.61218	0.8
107.04970	0.8
107.08608	9.2
109.06502	0.8
114.90449	0.9
115.05445	2.1
116.06239	1.4
117.07023	14.8
119.04961	8.3
119.08580	100.0
120.08157	0.8
120.08919	3.4
121.10115	1.0
123.96463	1.5
124.03765	0.9
129.06990	2.1
130.07732	1.0
131.08551	2.7
132.09343	6.1
145.10130	10.8
145.73366	0.9
147.04408	4.1
147.05533	2.8
147.06915	1.0
147.08057	8.0
147.09201	3.7
147.11687	78.8
148.07489	1.8
148.12024	3.4
165.24860	1.0
167.71365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.07327	0.3
51.86031	0.3
53.03939	0.6
54.15792	0.4
55.05511	1.6
64.92801	0.8
65.03942	7.4
66.04292	0.3
67.05492	0.4
69.07066	0.6
69.24091	2.0
77.03914	0.8
79.05486	1.3
84.04506	0.6
84.08170	0.9
85.02906	0.5
91.05480	88.7
92.05810	2.8
93.07033	1.1
95.04967	1.1
103.05492	1.2
104.06198	0.4
105.04488	0.4
105.07030	12.9
107.08585	2.9
113.41861	0.4
115.05416	0.6
116.06210	1.2
117.07022	5.9
119.04942	100.0
119.08573	20.9
120.05265	4.1
120.08968	0.4
121.10136	0.4
123.96449	2.1
129.07002	0.4
130.07741	0.6
131.08563	1.2
132.09357	4.1
145.10161	2.2
147.04413	51.7
147.05461	2.6
147.09346	1.7
147.11682	75.2
148.04803	2.1
148.07529	1.5
148.12033	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	149.081
Annotation	(R)-Mevalonate
Peak:m/z	Relative Intensity
53.51758	0.9
60.83480	0.9
65.03932	1.4
67.05511	5.9
69.03433	3.2
69.07072	2.7
70.81733	1.0
71.01353	11.2
71.04995	100.0
85.06538	1.6
89.02387	14.2
89.06035	1.1
95.04974	5.3
101.94357	0.9
113.05202	1.4
113.06004	28.8
114.68517	0.8
121.02893	1.6
131.07062	2.9
149.02356	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	149.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.83480	0.8
55.01859	1.9
55.05513	1.3
65.03941	16.2
69.03417	4.0
70.27406	0.8
70.84450	1.9
77.03941	1.2
78.04695	1.6
79.05048	1.1
79.05503	12.6
79.05963	1.5
81.07056	1.5
87.32393	0.9
89.03915	19.7
91.05480	39.5
93.03426	4.3
93.07045	21.6
95.04947	4.2
97.10514	1.0
103.05466	4.6
105.04534	1.3
105.06352	1.6
105.07032	31.0
106.04185	2.7
106.07825	1.8
107.04950	1.6
107.08582	2.1
108.04410	0.9
109.06515	4.2
111.04443	3.8
115.05479	4.6
116.06236	13.1
117.03391	11.6
118.30499	1.0
119.06103	1.2
119.08563	5.6
121.02864	26.7
121.03971	9.4
121.06512	12.8
121.10145	33.9
122.03201	1.1
123.08100	4.5
128.06256	1.0
129.07011	6.0
131.08569	20.2
133.07607	3.0
134.03606	3.3
134.07272	3.5
135.04407	1.7
147.08022	1.8
149.02347	68.4
149.05997	19.1
149.07095	2.5
149.09615	100.0
150.02733	1.6
150.09938	2.2
168.36203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03948	1.5
53.83480	0.8
55.01859	1.9
55.05513	1.3
65.03941	16.2
69.03417	4.0
70.27406	0.8
70.84450	1.9
77.03941	1.2
78.04695	1.6
79.05048	1.1
79.05503	12.6
79.05963	1.5
81.07056	1.5
87.32393	0.9
89.03915	19.7
91.05480	39.5
93.03426	4.3
93.07045	21.6
95.04947	4.2
97.10514	1.0
103.05466	4.6
105.04534	1.3
105.06352	1.6
105.07032	31.0
106.04185	2.7
106.07825	1.8
107.04950	1.6
107.08582	2.1
108.04410	0.9
109.06515	4.2
111.04443	3.8
115.05479	4.6
116.06236	13.1
117.03391	11.6
118.30499	1.0
119.06103	1.2
119.08563	5.6
121.02864	26.7
121.03971	9.4
121.06512	12.8
121.10145	33.9
122.03201	1.1
123.08100	4.5
128.06256	1.0
129.07011	6.0
131.08569	20.2
133.07607	3.0
134.03606	3.3
134.07272	3.5
135.04407	1.7
147.08022	1.8
149.02347	68.4
149.05997	19.1
149.07095	2.5
149.09615	100.0
150.02733	1.6
150.09938	2.2
168.36203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	875-59-2
Peak:m/z	Relative Intensity
55.01873	2.4
55.05504	3.9
61.62337	1.7
65.03944	2.1
67.05510	20.0
69.03438	35.3
70.94915	2.6
78.18465	2.1
79.05488	11.3
81.03428	1.9
81.07068	22.7
90.34321	2.0
91.05478	9.4
93.07050	7.6
95.04982	5.1
95.08614	25.7
96.12543	1.8
98.23123	3.4
105.07048	22.5
107.05003	3.9
107.08612	7.1
108.05759	2.3
109.06526	78.7
109.10194	12.1
122.07277	3.6
122.59589	1.7
123.08076	22.7
133.06509	13.7
151.07559	100.0
151.11203	7.8
158.05779	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	153.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.3
51.02384	4.4
53.00306	0.6
55.01865	0.8
55.05505	1.0
57.03447	0.8
67.02981	1.0
67.05496	0.9
67.39845	0.6
68.73373	0.5
69.03419	2.0
69.07065	2.0
69.16659	2.9
70.95862	1.4
71.04981	1.9
71.95248	1.4
73.06567	0.8
75.75726	0.4
79.01857	42.0
79.05498	3.2
80.02179	0.6
81.04565	0.4
81.07059	5.7
81.66833	0.5
83.04979	1.1
83.06103	0.4
83.08605	0.7
91.05476	1.1
93.07037	4.2
95.04964	1.6
95.08605	1.9
97.02893	7.1
97.06532	1.3
107.01308	7.6
107.08588	4.6
108.04460	0.6
109.06516	10.3
109.10152	1.0
111.05611	0.7
111.08073	1.9
123.00797	1.7
125.02354	13.3
125.09644	0.7
135.04535	0.6
135.05504	0.5
135.08086	1.0
135.09116	0.4
135.11714	2.4
135.51001	0.5
136.03906	0.7
137.81284	0.4
143.03398	32.7
148.97346	0.7
153.01820	100.0
153.02969	25.7
153.06575	1.9
153.09117	1.6
153.10211	1.1
153.12738	2.0
154.02167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.1
51.02382	6.4
55.86343	0.4
69.03454	2.0
69.33427	1.7
69.33827	0.7
79.01861	43.3
80.02193	0.5
94.60022	0.4
97.02895	7.7
97.45724	0.4
107.01325	11.4
113.69810	0.4
114.25230	0.5
123.00836	1.2
125.02358	14.7
126.02705	0.5
143.03403	32.3
144.03766	0.9
153.01826	100.0
153.02977	25.5
154.02142	2.1
154.03281	0.7
174.96170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.3
51.02386	3.9
66.90851	0.5
69.03428	1.2
76.37300	0.5
79.01854	38.1
97.02892	5.9
98.23512	1.3
107.01320	11.0
122.96892	0.7
123.00781	0.9
125.02359	14.4
143.02246	1.2
143.03392	31.9
153.01817	100.0
153.02966	25.4
154.02139	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	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.9
51.02379	4.4
53.00297	0.6
54.39754	0.4
57.00198	0.4
67.05506	0.5
68.99786	0.6
69.03439	1.8
70.37533	0.4
70.78029	0.8
73.86745	0.5
79.01854	34.8
79.05499	1.2
80.02190	0.7
81.03523	0.5
81.07080	0.8
83.04987	0.7
91.05475	0.6
93.07041	1.5
95.08585	0.8
97.02896	6.1
97.06513	0.5
98.23453	0.6
107.01317	8.2
107.08608	2.0
111.08080	1.2
123.00767	1.1
125.02347	13.4
125.03208	0.9
125.09674	0.6
135.08066	0.9
135.09167	0.7
136.03850	0.5
143.03395	28.0
144.03709	0.5
153.01836	100.0
153.02979	23.6
153.09108	1.2
153.10263	1.3
153.12817	0.9
153.64558	0.5
154.02155	2.2
154.03255	0.5
160.42783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
55.05510	9.1
57.03425	2.7
57.07054	1.8
67.02989	2.1
67.05509	24.6
69.03439	3.0
69.07075	40.4
70.95871	3.1
71.04980	3.9
71.95267	28.0
78.06196	1.8
79.05498	18.7
81.07061	28.0
83.04984	4.2
83.06082	1.7
83.08615	4.4
88.96911	1.7
91.05482	3.8
93.07046	35.1
95.04980	3.4
95.08621	17.2
97.06527	15.6
98.35243	1.5
100.46372	1.8
107.08598	39.0
108.04469	1.8
109.10163	25.0
111.05563	1.8
111.08058	4.9
125.06013	3.9
126.05500	1.9
135.11700	94.8
135.63910	1.5
136.03967	2.0
136.12054	2.8
153.05522	9.6
153.07454	6.1
153.12747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
56.96556	2.7
68.05022	1.1
70.47430	1.4
70.95862	5.5
72.93781	3.9
74.09327	1.4
74.09719	16.1
81.04529	1.5
82.99860	1.4
83.06093	10.1
93.04536	5.7
95.06068	7.2
96.03920	1.2
96.96914	3.6
100.02459	1.5
101.00880	12.1
110.07165	100.0
111.98458	3.2
112.05272	3.2
119.01917	42.2
124.02461	2.9
124.23235	1.2
129.99571	1.5
130.06305	16.9
132.95819	10.1
133.03468	3.1
137.02965	11.0
142.03508	24.3
150.96906	9.7
151.04599	1.0
156.04211	86.3
156.07668	9.1
160.04561	4.8
162.65198	1.0
165.05104	1.3
173.98529	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	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
70.01530	1.7
70.01861	1.4
74.09722	16.4
77.60774	1.1
82.05322	1.1
83.06097	4.2
91.11446	1.0
93.04514	2.3
95.06083	3.1
96.96907	3.3
110.07169	39.4
111.02094	1.2
112.05243	5.1
112.83948	1.0
130.06299	17.6
142.63373	1.1
145.70079	1.1
147.86908	1.2
156.04213	100.0
156.07614	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	156.1022
Annotation	Arecoline
Peak:m/z	Relative Intensity
51.45887	0.7
53.03957	0.8
55.05517	16.7
55.56819	0.7
55.93532	1.9
56.05045	1.1
60.04530	2.3
67.05513	2.5
68.05038	1.2
69.03444	0.9
69.07104	1.2
69.54945	2.7
70.06613	3.9
70.95872	33.2
71.05001	8.7
72.04526	1.2
72.93800	22.4
79.05509	12.6
79.64688	0.7
81.07055	0.9
82.02958	1.8
83.05043	0.6
85.06552	62.4
86.06075	13.2
87.04484	1.2
88.96913	7.2
90.94839	4.6
94.06554	1.2
95.04996	0.8
96.08142	6.6
97.06539	2.8
98.06076	1.1
98.07956	0.7
106.06565	31.5
110.06068	0.9
110.07183	5.9
111.98488	17.9
113.96404	0.9
114.09176	0.9
114.94804	0.8
124.07604	100.0
125.07978	0.8
128.10701	1.6
128.21065	0.8
129.99519	7.9
130.06517	1.0
131.97415	1.1
132.18158	0.7
132.95845	48.0
135.76154	0.7
136.65796	0.8
138.05486	1.0
138.09140	2.4
139.07524	1.0
141.73018	0.7
150.96899	63.2
151.97083	0.8
155.97430	4.2
156.10214	35.4
157.07629	5.6
168.97925	1.5
173.98538	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	158.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.5
56.96571	8.7
57.97337	0.2
69.88154	0.5
71.95273	0.6
86.08361	0.2
93.36044	0.1
97.99212	0.2
98.23188	0.4
98.97591	100.0
99.97939	0.5
116.98629	43.4
117.98967	0.2
123.95955	0.3
132.96458	0.6
134.99670	10.6
140.00203	1.1
141.96977	0.3
144.47258	0.2
150.97533	0.2
153.00731	0.9
153.47755	0.2
158.01260	0.7
162.67700	0.2
176.02371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23123	0.1
51.21259	0.1
56.96550	0.3
58.99846	0.2
60.00623	0.2
60.14650	0.1
60.95111	0.1
60.95840	0.1
66.60895	0.1
70.16769	0.4
73.86526	0.1
82.99815	1.2
90.82467	0.1
98.23428	0.1
98.97576	1.3
100.97167	0.7
100.97950	0.2
101.00874	19.4
101.95020	1.2
101.97195	0.4
102.00931	1.5
102.96862	1.1
103.00629	0.2
116.98631	1.1
118.03551	0.2
118.06551	0.1
119.01914	100.0
119.96031	0.5
119.98145	0.3
119.98877	0.2
120.01988	5.4
120.03215	0.2
120.97891	0.8
121.01572	0.6
121.02357	0.3
124.02410	0.2
125.02608	0.3
133.03448	0.1
134.08089	0.1
134.99657	0.5
136.04514	0.2
137.02951	35.9
137.97115	0.4
137.99818	0.4
138.03050	1.7
138.98909	0.6
142.03482	1.6
143.03635	4.9
144.03207	0.8
145.03427	0.1
159.05063	0.2
160.04575	0.5
161.02953	5.1
161.04645	4.2
161.07063	0.3
161.09633	0.2
162.04332	0.5
162.07635	0.1
166.81310	0.1
173.33609	0.1
176.04053	0.2
177.06093	0.1
179.04008	8.0
179.05650	1.2
184.04572	0.1
184.06084	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03933	0.4
53.51636	0.3
55.05260	0.4
55.05511	6.1
69.03452	0.3
69.07063	2.6
71.43456	0.3
77.39195	0.2
79.05490	1.7
81.07047	0.6
83.08594	0.5
91.05480	7.1
93.07030	1.1
97.10183	0.5
103.05452	1.0
104.06228	0.6
105.07027	14.3
107.08591	1.3
115.05463	0.6
117.07024	2.5
118.07788	0.3
119.01940	0.4
119.08578	100.0
120.08856	1.4
120.97913	0.3
121.10152	3.0
128.06252	0.3
131.08559	1.8
132.09259	0.3
133.06444	0.5
133.10124	16.0
143.08534	0.7
145.10106	0.4
146.07266	0.5
146.10886	0.7
159.11670	1.0
161.05890	0.9
161.07112	0.7
161.09618	3.6
161.10788	0.6
161.13252	17.6
162.05397	0.3
162.13580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01895	0.4
55.05516	6.7
63.75563	0.3
66.56989	0.3
69.03415	0.4
69.07072	2.4
79.05500	0.9
81.07052	0.7
81.37344	0.4
91.05483	6.5
93.07056	1.0
95.05012	0.3
97.10163	0.7
98.23065	2.7
102.96878	0.6
103.05484	0.9
104.06277	0.6
105.07040	14.9
107.08617	1.4
115.05471	1.0
117.07041	2.1
118.07813	0.4
119.01894	0.5
119.08592	100.0
120.08931	1.9
121.10175	2.4
128.06200	0.6
131.08575	1.9
131.47250	0.4
133.06500	1.2
133.10141	18.3
142.94595	0.4
143.08603	0.6
145.10046	0.4
146.07300	0.7
146.10902	0.7
147.46483	0.3
159.11754	1.2
161.05962	1.4
161.07155	1.0
161.09634	6.1
161.10838	0.7
161.13274	21.4
162.07651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03918	0.8
53.51529	0.7
54.22165	0.7
54.73478	0.6
59.74438	0.6
62.47540	0.8
63.02367	1.5
69.53175	2.1
69.53586	1.5
77.03938	1.3
79.05501	7.7
88.44099	0.9
89.03922	53.2
90.04221	1.0
94.20519	0.6
95.04967	2.7
102.75161	0.7
105.04512	1.0
107.04957	12.0
117.03382	53.7
135.04420	85.5
136.04726	1.0
145.02855	50.4
146.03180	1.4
163.03908	100.0
164.04271	1.2
168.79185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01715	0.7
53.03933	2.4
53.52002	0.7
55.05515	5.5
57.03448	0.9
57.07067	3.5
59.04988	2.1
60.95846	1.3
61.02932	8.6
63.02369	1.4
67.05505	14.2
69.03436	3.5
71.01361	7.0
71.04992	19.4
73.02905	0.9
77.03922	2.2
79.05497	10.0
80.04990	0.9
80.65394	0.7
81.03428	1.1
81.07034	1.0
84.08141	1.1
85.02896	4.0
85.06544	77.3
86.06879	1.2
89.02418	1.5
89.03918	48.7
89.06050	3.9
90.04254	1.8
91.05481	1.4
95.04977	8.6
97.02871	1.1
102.96877	4.1
103.03954	10.0
105.03362	3.2
105.04522	1.7
106.06535	1.6
107.04958	10.8
107.08602	0.8
113.05991	5.7
117.03381	40.1
117.05692	1.4
118.03667	1.0
118.06519	2.5
119.97895	0.8
120.08093	1.0
120.97885	1.3
121.00783	2.1
121.01681	2.7
121.96678	1.0
127.03916	0.9
127.07549	14.6
127.12485	0.7
130.06532	4.2
131.04941	0.7
131.07022	0.9
132.08093	6.5
133.02853	5.1
133.07605	1.4
135.04414	83.7
136.04729	2.2
138.98981	1.5
139.01822	1.3
145.02849	32.9
145.03876	1.3
145.07645	0.9
146.03110	1.1
158.96257	1.1
163.01973	3.7
163.03905	100.0
163.08675	13.9
163.11107	1.5
163.12321	6.6
164.04274	2.8
181.02817	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03941	1.2
55.01873	6.0
55.05517	7.0
57.03431	2.0
57.07074	5.0
57.78943	0.9
62.61639	0.8
65.03954	1.2
67.05507	4.6
69.03431	13.3
69.07061	3.1
71.04982	3.9
76.91015	0.8
79.05491	23.0
81.03418	0.9
81.07051	14.7
83.04974	3.4
84.08151	1.5
85.02893	1.5
85.20328	0.8
89.03921	13.2
89.06028	3.5
91.04939	1.3
91.05476	18.2
93.07047	47.1
95.04965	9.6
95.08591	1.9
101.09675	0.9
102.96880	1.1
103.05499	1.2
105.03377	3.4
105.04507	3.4
105.07031	34.1
106.06585	5.9
107.04948	7.2
107.08594	53.2
109.06516	4.8
109.66962	0.9
109.85851	0.8
115.05441	3.9
117.03384	10.5
117.05754	4.8
117.07013	11.0
119.06036	1.6
119.08576	14.0
120.08113	2.8
121.06516	11.7
121.10138	18.2
123.08047	1.2
127.07559	1.1
128.06235	1.0
129.07066	1.0
130.06531	11.2
130.07716	6.4
131.04965	1.2
132.08087	13.8
133.02831	2.0
133.06497	1.7
133.10094	1.1
135.04420	22.0
135.05464	1.1
135.08070	12.4
135.09071	2.1
135.10771	1.2
135.11703	17.8
136.07582	2.0
139.07518	1.0
143.08557	2.0
145.02844	9.4
145.06465	0.9
145.10121	34.1
147.08032	0.9
148.08853	2.7
163.01874	1.2
163.03908	30.0
163.07561	3.4
163.11166	100.0
163.12328	12.9
163.14792	2.4
164.07054	2.4
164.11586	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03945	0.5
55.01854	0.5
55.05503	0.9
57.07073	1.2
67.05508	0.5
67.35598	0.2
67.73286	0.2
69.03429	1.0
69.07065	1.9
77.03913	0.4
79.05492	4.5
80.05032	0.5
81.07058	1.2
83.04963	0.4
83.08596	0.2
84.08160	0.5
85.02903	0.2
89.03930	0.4
89.06047	1.0
91.05472	2.0
93.07046	4.3
95.04970	2.0
95.08597	0.7
103.05479	0.7
105.03383	0.5
105.04488	0.6
105.07010	2.3
106.06571	1.1
107.04242	0.4
107.04955	5.6
107.08585	4.0
109.06513	0.4
115.05463	0.4
117.03399	0.5
117.05788	1.0
117.07015	3.3
119.08553	1.1
120.08089	0.6
121.06522	1.6
121.10146	1.8
130.06520	2.8
130.07677	1.1
131.04909	1.1
132.08084	3.6
133.02815	0.3
133.06508	2.2
134.07277	0.2
135.04457	1.1
135.05382	0.2
135.08055	2.4
135.11699	1.5
145.08972	0.3
145.10126	6.0
146.10501	0.2
147.08054	2.6
148.08830	10.8
149.09248	0.3
163.03935	2.0
163.11172	100.0
163.12187	3.9
164.11504	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03951	1.4
54.32353	0.7
55.01857	2.3
55.05521	5.2
57.03425	0.7
57.07079	4.5
61.02925	1.3
67.05468	1.2
69.03426	5.3
69.07073	2.2
71.04951	0.8
77.03925	2.0
79.05499	11.4
80.05014	1.1
81.07063	3.6
83.04958	1.1
84.08155	1.2
85.02911	3.7
89.03903	5.5
89.06027	2.6
91.05477	17.6
93.07046	42.6
95.04959	5.4
95.08563	1.2
101.26226	0.8
101.48150	0.7
103.05462	2.5
105.03395	2.8
105.04531	2.3
105.07028	17.6
106.06558	3.4
107.04963	3.4
107.08593	84.0
108.08912	1.0
109.06530	3.1
115.05401	1.0
117.03347	4.4
117.05733	2.3
117.07014	4.9
118.06563	1.5
119.06052	1.8
119.08591	12.4
120.08102	1.1
120.09358	2.3
121.06544	4.4
121.09277	1.8
121.10140	14.6
130.06549	7.7
130.07726	3.7
131.04929	2.6
132.08102	7.8
133.02853	1.1
133.10155	0.9
135.04439	11.4
135.08087	3.1
135.11691	100.0
136.07619	1.6
136.12125	1.3
137.09680	1.2
143.08536	0.9
145.02844	2.7
145.10135	11.2
163.03903	20.0
163.07538	2.5
163.08815	1.5
163.11177	30.8
163.12334	6.5
164.07080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03936	1.3
55.01861	2.2
55.05509	5.3
57.07082	3.9
57.80280	0.6
60.05342	0.6
62.12509	0.6
67.05494	2.0
69.03432	5.0
69.07053	2.1
69.55974	2.7
71.04987	2.2
71.29897	0.6
72.41234	0.8
77.03926	0.9
79.05495	11.9
79.31156	0.7
79.49086	0.6
80.05023	0.7
81.03420	1.5
81.07051	14.3
83.04960	1.5
83.08612	0.8
84.08161	1.1
85.02908	0.7
89.03886	1.7
89.06010	2.0
91.05477	8.0
93.07046	23.5
95.04952	4.7
95.08580	2.5
98.22743	1.3
103.05466	1.6
105.03384	2.1
105.04512	1.6
105.07024	17.4
106.06561	4.6
107.04940	4.5
107.07376	1.4
107.08593	27.5
109.06524	2.4
115.05451	0.8
117.03384	1.2
117.05751	3.5
117.07012	5.6
119.08571	5.6
120.08096	2.3
121.06493	5.5
121.10147	9.7
122.09673	6.8
130.05630	1.1
130.06514	9.1
130.07761	3.3
131.04919	1.7
132.08087	13.6
133.02831	1.6
133.06491	1.9
135.04430	3.6
135.08089	3.3
135.11690	9.1
138.54152	0.6
143.08546	1.1
145.02818	1.6
145.10120	20.3
147.08035	1.9
148.08835	8.2
163.03911	9.8
163.05130	1.4
163.11166	100.0
163.12311	9.7
163.14853	2.6
164.07088	0.8
164.10616	3.4
177.27133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03941	1.8
55.01876	3.7
55.05519	7.1
57.03416	0.8
57.07072	2.5
67.05506	3.9
69.03069	1.1
69.03429	16.1
69.07056	2.4
69.16383	2.2
69.16785	0.8
71.04985	2.5
77.03918	1.0
79.05045	0.7
79.05492	13.1
80.04992	0.5
81.07056	14.0
83.04970	2.1
84.08142	1.1
85.06535	0.7
89.06018	1.0
91.05478	12.5
93.07043	48.9
95.04986	5.7
95.08575	1.0
101.09645	0.6
103.05467	1.2
105.03398	1.2
105.04499	1.3
105.07032	25.4
106.06534	1.7
107.04987	3.0
107.08591	43.1
108.08919	1.0
109.06509	3.0
109.19645	0.5
110.21122	0.6
115.05369	0.7
117.05753	1.3
117.07022	6.9
119.06136	0.6
119.08573	9.1
120.08096	1.2
121.06491	11.2
121.10147	13.3
128.06169	0.9
129.07010	0.8
130.06569	4.1
130.07770	5.6
131.04892	0.8
132.08121	5.3
133.06467	1.0
133.10081	0.7
135.04439	1.8
135.08061	4.7
135.11696	13.9
136.07582	1.2
143.08577	1.7
145.10123	33.4
147.08052	1.1
148.08887	2.7
154.04997	0.6
161.09615	0.8
163.03903	3.8
163.11174	100.0
163.12238	5.1
163.14856	1.9
164.11507	2.1
166.27061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.05506	1.0
57.03416	0.2
57.07066	1.0
58.16962	0.2
67.05511	0.3
69.03426	0.6
69.07072	1.3
69.36079	1.1
79.05498	3.3
80.04994	0.3
81.07054	1.0
83.04975	0.5
84.08152	0.6
85.02901	0.3
89.03925	0.4
89.06024	0.7
91.05473	1.6
93.07056	3.6
95.04996	1.2
95.08604	0.5
103.05485	0.9
105.03410	0.7
105.04516	0.5
105.07049	2.0
106.06546	1.2
107.04967	4.7
107.08598	3.9
117.03371	0.3
117.05754	0.7
117.07018	2.6
119.08600	1.1
120.08138	0.4
121.06522	1.5
121.10130	1.4
130.06535	3.0
130.07780	0.9
131.04951	0.9
132.08090	3.1
133.06493	1.3
135.04431	0.9
135.08067	1.6
135.11720	1.7
143.08574	0.4
145.02893	0.5
145.10132	5.8
147.08067	1.8
148.08841	9.1
159.16551	0.2
163.03931	2.2
163.11189	100.0
163.12181	3.9
164.11555	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	164.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05517	3.3
56.05006	1.5
57.03440	12.1
59.05023	1.8
60.04522	6.3
62.72720	1.4
65.93437	1.4
67.05507	4.7
69.07090	1.8
71.04997	95.3
72.04562	1.5
73.02909	3.7
74.57670	1.4
75.04481	5.3
79.05524	2.2
80.05859	1.7
81.03445	1.7
81.07057	3.1
82.99864	2.1
83.04987	4.0
85.02913	100.0
86.06054	1.5
86.53658	1.3
87.04473	4.1
91.05482	5.5
93.07054	2.8
95.04987	3.9
95.08627	2.6
98.22704	3.7
98.23381	6.6
99.04469	12.7
101.00880	13.1
105.07023	5.0
106.56062	1.4
107.08601	3.3
108.08945	4.9
109.06527	1.7
109.10165	3.3
111.04476	1.9
118.03744	1.4
119.01932	39.1
119.04925	1.7
119.08592	5.8
122.10435	2.3
123.04434	1.9
124.02419	1.5
129.05496	17.0
136.04771	2.6
136.07574	5.0
136.12112	1.8
137.02997	11.9
137.06013	1.9
137.09596	1.7
142.03513	29.0
146.07091	1.6
146.08109	8.6
146.10477	2.2
147.04379	2.5
147.06511	3.4
147.08122	2.2
160.04532	8.7
164.04289	5.6
164.07051	11.5
164.09299	1.9
164.12761	1.9
164.15222	4.4
165.05247	1.3
165.09114	2.3
165.12851	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	164.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.03433	11.6
60.04519	5.5
61.02925	1.9
70.85883	2.2
71.04993	99.0
72.01520	1.6
72.04506	2.0
73.02905	2.1
75.04480	4.5
83.04993	5.5
85.02905	100.0
87.04474	1.9
91.05463	3.3
99.04459	12.6
101.00893	3.5
107.08606	2.2
108.08891	2.2
119.01958	9.5
119.08612	2.8
124.02499	2.6
129.05481	19.8
136.07593	8.8
137.09634	1.7
142.03503	14.0
146.08090	9.3
147.04340	2.7
147.06502	4.6
155.74706	1.6
160.04552	2.7
164.07109	6.5
164.09200	1.8
164.10529	1.6
165.09196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05684	0.2
56.96573	1.4
57.03435	0.6
58.99882	0.3
64.61076	0.2
64.98962	0.2
69.03426	0.8
73.02918	0.6
81.03420	0.5
81.07053	0.3
82.01460	0.4
82.99831	2.1
83.04966	0.4
85.02922	0.5
85.95782	0.2
90.01569	0.3
91.05473	2.2
95.04973	8.5
97.02917	0.3
97.07224	0.2
98.97581	0.6
100.02494	1.2
101.00879	29.4
102.00984	0.5
103.05469	0.6
105.04462	0.4
105.07023	0.2
109.02946	0.3
109.06551	0.6
116.98653	0.4
118.03519	0.5
119.01920	100.0
119.04919	6.4
120.02010	2.1
123.04434	13.7
124.02438	6.3
128.98598	0.3
133.03487	0.6
137.02959	27.1
137.05850	0.5
138.02980	0.6
142.03500	79.4
143.03609	2.0
145.03531	0.3
147.04424	2.6
156.03438	1.2
156.05083	0.4
160.04558	23.4
161.04657	0.5
165.03964	0.7
165.05266	1.4
165.09050	0.5
176.04068	0.4
183.33000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36780	0.9
69.37170	0.9
72.54489	0.4
73.23210	0.4
82.01456	0.7
82.99839	7.6
85.64651	0.4
100.02477	1.1
101.00880	55.9
102.00968	1.3
119.01919	100.0
120.01996	1.8
124.02447	12.5
137.01894	0.9
137.02948	15.7
138.03156	0.5
142.03496	95.9
143.03593	1.7
160.04559	17.2
161.04747	0.6
165.05098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03950	0.7
67.05497	0.5
69.29033	1.3
75.02404	0.2
78.10836	0.3
81.07072	0.3
82.99870	0.6
90.20255	0.3
91.05482	15.9
95.04952	0.9
95.08614	0.3
101.00213	0.5
101.00875	3.4
105.07072	0.4
107.08536	0.3
109.10185	0.3
119.01929	9.2
119.04942	40.5
120.00446	0.3
120.05244	0.7
123.04451	1.2
124.02451	0.8
135.18294	0.3
137.02921	1.7
137.09592	0.3
142.03494	8.2
143.03763	0.3
147.04408	100.0
148.04771	1.6
160.04568	1.5
165.05478	1.7
165.09106	0.3
165.12737	0.6
177.36140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
55.94648	1.0
67.05526	0.7
70.62630	0.8
71.44362	1.3
81.07050	1.4
82.99854	3.0
91.05492	20.7
93.07049	2.0
95.04988	3.4
95.08607	1.4
101.00890	37.9
105.07053	1.1
106.99164	0.8
107.08591	1.3
109.06510	1.3
109.17401	0.7
119.01934	88.6
119.04952	44.1
119.05833	1.2
119.08608	2.0
120.02061	2.5
121.10126	1.4
123.04434	2.3
123.08072	1.2
124.02470	7.2
126.83482	0.7
137.02977	19.1
137.09660	5.9
142.03514	79.9
143.03662	1.6
147.04420	100.0
148.04811	1.6
160.04573	19.9
165.05159	4.1
165.09123	1.1
165.10387	1.3
165.12767	4.0
183.62137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.37984	0.5
53.27831	0.5
55.05498	0.9
65.03931	1.1
67.05495	1.9
78.17606	0.6
79.05482	0.9
81.07037	1.5
82.99841	2.0
91.05482	19.7
93.07063	1.1
95.04981	2.7
95.08591	1.1
100.02457	0.7
101.00881	22.4
105.07043	1.4
107.08577	1.6
109.06529	1.5
109.10149	2.3
119.01923	61.9
119.04942	42.9
119.08590	2.1
120.02018	1.0
120.31287	0.5
123.04427	2.1
123.08065	1.2
124.02442	4.9
137.02963	14.2
137.06004	0.9
137.07935	2.9
137.09592	5.3
142.03503	55.3
143.03679	1.5
147.04410	100.0
147.11661	1.0
147.64876	0.6
148.04729	1.5
160.04559	14.1
165.05247	2.1
165.07458	0.7
165.09042	0.9
165.10362	0.7
165.12766	4.2
173.68744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	62.8
57.03423	9.4
61.02909	7.6
67.05502	32.9
69.03423	12.4
69.07080	13.1
69.98215	2.8
69.98551	7.1
71.04995	25.0
73.02924	18.6
74.97616	5.9
81.01041	6.2
81.03427	5.7
83.00800	2.8
85.02907	20.6
87.01048	3.5
87.04465	3.3
87.10166	2.8
89.00773	6.1
90.01548	10.8
93.07064	3.7
95.00752	4.6
95.04966	32.8
96.05301	3.4
97.00528	4.0
97.02900	19.0
98.01297	10.2
98.97585	92.4
99.04456	4.1
100.99133	3.9
101.00793	15.6
102.00975	11.3
103.00605	3.0
103.05497	4.4
104.01298	5.5
106.96577	6.0
107.01806	3.3
107.04967	6.5
109.02877	4.0
110.01292	29.2
110.97572	9.5
116.97874	3.7
116.98627	37.5
119.01810	70.3
120.02007	30.5
120.08108	48.0
120.08888	4.2
121.01654	3.7
121.06522	4.0
122.06004	2.7
124.97612	4.8
127.00679	11.5
127.03909	5.3
128.02322	100.0
128.52463	2.9
128.98618	11.4
130.52676	3.1
131.04927	2.4
134.99657	9.1
137.02858	21.6
138.03059	4.4
138.05522	2.9
139.53156	2.8
140.98550	3.2
142.03490	5.7
143.00154	8.0
143.03616	28.0
144.03236	5.2
145.01718	7.9
146.99664	5.3
150.09204	4.3
158.99655	32.5
160.00175	2.6
161.01202	6.1
161.04721	10.2
162.01581	2.8
166.03842	3.9
166.05054	5.2
166.07265	5.3
166.08615	8.2
170.99654	5.6
175.04369	23.5
175.54613	3.4
177.00700	20.4
187.02744	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
61.35678	0.1
63.47742	0.1
63.65265	0.1
70.64333	0.3
71.05008	0.1
79.05507	1.1
86.21436	0.2
91.05495	0.6
93.07043	2.1
93.20895	0.2
93.89986	0.2
95.24666	0.1
98.86224	0.1
103.05470	8.6
107.04959	2.2
107.76301	0.1
120.08104	100.0
121.08469	1.4
131.04910	2.6
149.05948	0.8
166.08659	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	167.0339
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.00299	0.6
53.03943	1.0
55.01872	1.9
55.05515	6.1
65.03941	20.4
66.53683	0.3
67.05498	1.1
68.02647	4.8
68.82811	0.3
69.03419	0.4
69.07053	0.6
69.30519	1.8
70.40313	0.3
71.01354	3.7
79.01839	1.6
79.05487	1.4
81.03415	6.1
81.07043	1.1
83.01325	0.9
83.04977	5.3
84.96032	1.0
91.05470	0.5
93.03400	3.2
93.07044	2.8
95.04963	0.6
96.02113	6.7
102.97060	0.4
103.00624	1.5
105.07012	0.5
107.01323	4.6
107.06070	0.4
107.08592	1.8
109.02868	0.8
109.06506	1.8
111.04436	7.4
111.08100	0.6
121.01668	5.1
121.06450	0.4
121.08447	0.5
121.10158	1.9
124.01577	3.7
125.02351	4.1
126.02147	0.4
137.02341	0.5
139.02707	1.2
139.03903	1.8
144.03215	3.5
149.02328	0.9
149.07068	0.4
149.09622	1.5
152.01033	3.9
157.04964	40.8
162.04329	0.5
167.03380	100.0
167.04538	8.7
167.10648	1.4
168.03732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0341
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
53.00308	0.5
53.03946	1.1
55.01876	2.7
55.05306	0.5
55.05516	6.3
64.36755	0.4
65.03947	18.5
68.02371	0.4
68.02655	5.3
68.99763	0.6
69.03429	0.7
70.83763	0.4
70.94600	0.5
71.01363	4.1
79.01836	1.8
79.05478	1.1
81.03425	7.0
81.07046	0.8
83.01350	0.8
83.04997	4.6
91.05468	1.0
93.03428	3.8
93.07037	1.2
96.02124	6.6
98.22973	0.8
105.06982	0.5
106.29402	0.5
107.01314	3.8
107.08591	2.4
107.21781	0.4
109.02887	0.8
109.06565	0.9
111.04445	6.7
121.01640	1.5
121.06508	0.9
121.10126	1.7
124.01591	4.2
125.02371	4.7
125.09660	2.9
128.33514	0.4
132.99557	0.4
139.03932	2.6
144.03270	1.2
149.09637	1.1
152.01059	4.1
157.04979	38.0
167.03392	100.0
167.04565	8.6
167.10646	4.1
168.03716	1.2
176.26569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
51.42756	0.4
55.01875	0.6
55.05505	0.7
61.82285	0.3
65.03941	2.2
67.05505	0.3
68.59052	0.3
70.06628	0.5
70.70307	0.4
73.02921	10.3
73.03342	0.5
78.54546	0.3
79.05505	0.6
79.86947	0.4
81.07060	0.7
83.04987	1.0
91.05499	0.8
93.03409	0.4
93.07037	1.1
95.04975	2.8
97.06573	0.5
103.00636	0.6
107.08603	0.8
111.04470	1.8
119.04917	3.0
121.02872	100.0
121.06467	3.3
121.10160	0.9
122.03201	1.4
125.06010	1.0
139.02754	0.5
139.03891	0.4
144.03253	0.9
149.05984	25.1
157.05003	0.4
167.03395	1.0
167.07033	5.2
168.13837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.107
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03952	1.7
55.01878	5.6
55.05260	1.4
55.05515	26.4
59.04995	8.9
63.70494	0.9
64.77959	0.9
65.03941	14.9
67.05503	4.4
68.02646	2.7
69.03435	2.1
69.07071	11.8
70.03763	2.9
70.06600	5.6
71.01346	2.9
77.03903	1.5
79.01836	1.3
79.05502	20.4
81.03407	4.9
81.07063	7.7
83.04980	6.4
84.96039	4.5
91.05486	14.7
93.03397	3.8
93.07050	14.7
95.04969	2.9
95.08620	4.7
96.02133	4.6
96.08091	1.6
97.06557	4.8
97.10175	14.1
97.88251	0.9
98.22836	2.2
103.00651	6.2
103.05473	1.6
105.04526	1.7
105.07038	16.6
107.01302	2.1
107.04957	4.0
107.06095	1.0
107.08598	55.9
108.04418	1.2
109.05841	1.7
109.06522	18.3
111.04453	6.6
111.08111	1.2
113.10778	1.9
119.06021	3.3
119.08564	1.9
121.01670	25.6
121.02484	1.6
121.06524	28.9
121.07486	1.5
121.08285	1.7
121.10149	70.6
122.05997	1.2
122.10504	1.5
123.08065	9.6
123.11705	2.2
124.01578	2.6
125.02338	2.7
125.05988	1.6
125.09635	94.3
126.02230	1.2
126.09960	1.5
131.08556	2.9
133.07562	2.2
139.02715	6.5
139.03900	19.5
139.07561	1.7
139.11201	5.4
144.03235	18.4
149.05968	1.9
149.07089	3.0
149.09627	46.5
152.01065	2.5
157.04971	26.2
162.04324	4.6
167.03392	66.8
167.04582	6.3
167.06967	2.6
167.08286	3.3
167.10680	100.0
168.03720	1.4
168.11041	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	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61662	0.3
55.05523	1.2
57.03443	0.4
57.53661	0.3
65.03937	0.3
67.05505	2.2
68.05047	0.4
69.03439	0.4
69.07075	0.7
70.06599	100.0
71.06936	0.6
71.44074	0.3
79.05522	1.7
80.05052	0.4
81.07066	5.6
83.04999	0.4
91.05492	5.2
93.07050	0.9
94.06578	0.6
95.04977	1.2
95.08620	1.0
97.06547	0.4
98.06103	0.3
100.92314	0.3
105.07050	1.0
107.08601	0.4
108.04494	1.7
108.08138	0.3
109.06541	1.4
109.10167	0.3
110.06129	0.3
121.46325	0.3
122.03242	0.4
122.06048	5.2
122.09660	0.4
122.10487	0.4
123.08090	0.7
123.11722	1.0
125.05988	0.7
126.05517	1.1
126.06364	2.5
127.03908	0.3
133.10130	0.6
143.61945	0.4
150.05498	0.9
150.12747	0.6
151.11185	1.6
168.03738	0.8
168.06378	1.5
168.10222	1.0
168.13849	11.2
168.17398	0.5
169.01289	0.4
169.05057	0.3
169.07526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
54.20201	1.0
55.05512	7.4
55.47593	0.8
56.05020	1.7
57.03433	3.6
57.07064	1.3
65.03925	1.0
67.05509	18.2
69.03411	1.3
69.07069	2.4
69.69490	2.9
70.06595	76.4
71.04991	1.4
79.05492	10.6
81.07061	55.9
83.04971	2.9
86.32553	1.0
91.05484	53.6
92.05788	1.2
93.07040	5.7
94.35620	0.8
95.04984	6.0
95.08635	4.6
97.06524	1.0
99.19913	1.0
105.07036	9.0
107.08591	5.6
108.04468	2.1
109.06530	13.2
109.10204	1.7
115.31120	0.8
121.02901	2.7
121.10143	1.7
122.03194	11.6
122.06039	1.4
122.09678	3.0
123.08082	1.3
123.11707	9.1
126.05497	1.4
133.10097	5.0
139.11166	1.4
150.05362	1.8
150.06358	2.7
150.12773	8.2
150.57149	0.9
151.11183	19.6
168.06468	1.2
168.13841	100.0
169.14133	2.1
173.46333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0863
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03953	0.4
55.01878	100.0
55.05514	1.8
56.02209	0.7
62.73596	0.4
65.03949	0.6
67.05511	9.7
68.97917	0.4
69.03429	0.4
69.07074	29.1
69.38328	1.7
71.05029	0.6
73.02931	0.5
79.05041	0.8
79.05492	6.7
81.03437	0.5
81.07065	5.1
83.87356	0.4
85.06558	0.8
85.50240	0.3
91.05497	6.2
93.07049	2.4
95.05004	1.3
95.08614	49.1
96.08949	0.7
97.06537	13.7
98.22756	0.7
98.23396	0.9
99.04463	0.8
105.07043	9.6
107.04986	2.3
107.08601	9.8
107.96391	0.4
109.06525	13.8
109.10148	2.0
111.04460	0.5
119.06081	1.2
123.08076	15.5
127.07599	1.0
133.06535	1.8
143.87352	0.4
151.07570	7.9
151.08722	0.7
169.08636	8.9
169.09970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03956	1.4
53.41776	0.9
55.01873	6.3
55.05510	6.2
57.03429	3.1
57.07076	18.0
59.04996	2.4
65.03935	2.0
67.05508	32.2
68.01199	0.9
69.03431	35.3
69.07070	17.5
69.43329	1.0
69.67992	4.0
71.04992	23.0
73.06528	1.3
74.46535	0.9
79.05482	4.8
81.03387	1.9
81.07057	47.7
82.48852	1.0
83.04985	15.1
83.08633	5.0
85.02888	5.1
85.06545	89.5
91.05473	3.9
93.07048	8.1
95.04958	10.8
95.08606	13.5
97.06532	5.8
97.10146	1.0
98.22792	1.7
99.04433	5.5
99.08095	3.3
105.07036	6.8
107.08587	9.8
109.06517	15.9
109.10158	56.3
111.08083	12.2
113.06007	14.2
121.10148	23.0
123.08070	9.6
123.11707	70.0
125.09609	2.9
133.10117	4.3
136.08868	1.6
139.11185	23.3
151.11188	28.2
168.73752	1.1
169.12242	100.0
170.12582	1.3
173.36949	0.9
176.57469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05514	0.4
56.05025	0.5
56.96564	1.0
62.65521	0.3
63.41975	0.2
65.03947	0.5
68.05032	0.8
69.03445	0.4
70.06628	0.3
70.35988	0.4
72.04517	0.9
73.02923	0.8
79.05491	0.9
80.05068	0.3
81.03419	0.9
81.04527	0.3
81.05794	0.3
81.07050	0.3
82.06587	0.6
83.06105	1.4
83.08633	0.3
84.96046	0.5
85.07696	0.6
87.04466	0.3
93.05794	0.4
95.04974	0.3
95.06093	1.9
96.06878	17.7
96.08138	1.5
97.02896	0.3
97.07658	3.8
99.37132	0.3
106.06549	1.1
107.01304	0.7
107.04942	0.8
109.02892	2.5
109.07649	14.3
110.03698	0.6
110.07159	0.4
112.80707	0.2
116.98610	0.3
119.01910	0.3
121.01684	0.4
123.06821	0.9
124.07597	5.5
124.08717	3.2
125.02366	0.6
125.07141	1.7
126.10278	5.4
127.03924	1.0
128.98677	0.6
131.02026	0.3
133.01680	0.7
134.06021	60.0
135.04411	0.3
135.06371	1.0
141.11072	0.4
142.08629	0.3
146.99628	0.6
152.07072	100.0
153.01837	1.2
153.07494	2.5
158.04114	0.8
165.12471	0.2
170.08102	15.5
170.09314	13.2
170.11734	0.7
171.02858	0.3
171.11296	0.6
171.14931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0815
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
54.03449	0.4
56.05050	0.3
56.96568	1.1
68.05022	0.5
69.03439	0.3
70.32719	0.4
72.04503	0.6
79.05512	0.6
80.05026	0.6
81.03435	1.6
81.05791	0.6
82.06583	0.4
83.04969	0.5
83.06112	1.0
95.06096	1.5
96.06884	11.0
96.08143	1.6
97.02914	0.4
97.07678	3.3
101.14948	0.3
106.06571	0.7
107.01346	0.8
107.04972	0.5
109.02869	2.0
109.07652	7.9
110.03613	0.4
110.06083	0.5
110.07164	0.7
123.06869	0.4
124.07599	4.9
124.08715	3.0
125.02367	0.6
125.05943	0.4
125.07127	0.9
126.08938	0.4
126.10282	3.8
127.03933	0.8
128.98628	0.6
133.01627	0.6
134.06026	59.0
135.06354	1.2
148.15622	0.4
152.07079	100.0
153.01845	1.0
153.07513	2.6
158.04129	0.4
165.15895	0.3
165.22340	0.3
170.08119	15.3
170.09338	8.7
170.11702	0.8
171.11226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1178
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
53.47064	0.1
55.01873	1.1
55.05515	0.2
56.96568	0.2
57.07076	1.5
60.04514	0.1
70.86874	0.2
72.04523	0.7
86.06092	0.9
86.09705	100.0
87.10027	0.7
89.07162	0.3
96.34344	0.1
116.10733	1.0
124.07611	0.1
128.10715	25.6
128.95079	0.2
129.11073	0.2
142.12270	0.4
144.90201	0.1
146.96187	0.1
152.07080	0.2
170.08141	0.2
170.09569	0.2
170.11758	5.5
170.15393	0.2
171.14935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03961	4.7
55.01875	2.9
69.03430	4.7
69.29720	4.8
72.04509	1.8
79.01850	4.9
81.03421	59.6
89.07172	1.6
95.21796	1.0
97.02901	5.6
98.22670	2.2
98.50341	1.0
107.01319	68.7
108.01698	1.0
109.02883	100.0
110.03229	1.5
125.01431	2.0
125.02359	52.4
127.03920	92.3
135.00783	9.7
137.03473	2.7
143.03448	1.4
153.01833	93.6
171.02888	32.0
171.14973	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	171.029
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02385	1.0
52.49572	0.8
53.03955	5.5
53.04160	0.8
55.01871	3.1
63.79514	1.0
67.61567	1.0
69.03432	4.7
69.37614	3.6
75.18819	0.8
79.01858	7.3
81.03425	65.2
97.02902	5.7
107.01327	74.0
109.02886	95.7
110.03172	1.2
120.54473	1.0
125.02363	56.4
127.03923	100.0
127.26641	0.9
128.04222	1.6
135.00792	9.9
137.03432	3.2
143.03387	1.5
153.01839	88.4
165.27487	1.0
171.02901	30.1
171.14856	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	171.029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13094	1.2
53.03951	4.5
55.01868	3.2
55.05515	2.1
65.07556	1.2
69.03436	3.8
70.68949	1.4
72.04528	5.5
79.01873	5.2
81.03425	60.3
83.08624	1.4
89.07169	5.3
90.84128	1.3
97.02919	3.9
107.01325	64.9
107.08608	1.7
109.02887	96.4
111.04448	1.8
125.01427	1.7
125.01696	1.0
125.02364	54.7
127.03926	99.8
135.00795	7.5
137.03493	2.6
139.00291	2.0
143.03409	2.3
153.01840	100.0
171.02908	35.4
171.10081	1.2
171.14972	3.4
191.67537	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.24413	0.6
53.03950	1.0
53.79807	0.6
55.05513	14.9
57.07071	4.3
58.06610	1.3
59.04996	3.7
62.06092	2.0
67.05511	2.3
69.07073	0.9
70.95845	0.6
71.06089	0.8
71.08643	2.0
71.44830	0.9
72.93785	4.5
76.02211	1.6
77.32570	0.7
79.05504	2.0
79.79986	0.6
81.07071	4.1
83.04984	12.6
85.06541	0.7
87.02648	0.6
87.04454	1.2
89.02367	1.3
90.90369	1.6
90.94829	3.8
91.05482	9.3
93.03423	0.8
93.07053	1.2
95.08598	1.5
99.04441	0.9
100.07599	0.7
101.06024	11.1
103.03289	2.9
105.07027	11.5
108.95844	0.9
111.04449	18.0
113.05999	2.2
115.05453	1.6
116.06226	1.9
117.07053	3.1
119.08578	9.9
127.07526	2.8
129.05492	6.6
129.06978	5.1
130.07780	1.8
131.08565	100.0
131.97401	0.7
132.06557	1.1
132.08890	2.4
133.10133	0.9
143.08556	11.7
144.09335	5.7
145.10120	22.6
146.05989	0.8
149.94078	1.2
149.96086	1.3
150.96883	2.4
155.07011	12.0
155.08185	1.1
155.97346	0.7
156.09326	1.2
156.17505	2.1
157.10080	0.7
158.07190	0.8
158.10912	21.6
167.97145	1.6
171.11707	2.0
173.08163	21.6
173.13255	95.7
173.98500	0.8
174.13672	0.9
174.18529	20.3
193.87004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.154
Annotation	cis-p-Menthan-1,8-diol
Peak:m/z	Relative Intensity
53.03961	1.2
55.05515	17.4
57.07076	2.6
59.05014	2.0
65.03951	1.4
67.05511	39.0
69.07076	14.5
70.72936	0.4
70.73286	0.7
70.95872	0.6
71.04999	33.2
71.08638	2.0
72.93801	1.8
79.05497	7.3
81.07062	91.9
82.07421	0.8
83.04525	0.9
83.04990	10.9
83.08616	2.7
85.06551	12.4
85.10184	0.9
87.04525	0.9
88.34396	0.5
89.02399	1.3
90.90379	0.8
90.94853	1.5
91.05477	1.0
93.07050	2.7
95.08613	100.0
96.08957	0.9
97.10171	0.9
98.22936	0.6
99.04495	0.7
99.08095	2.0
101.06036	7.7
109.10162	8.9
111.04446	14.2
111.08115	0.8
111.98492	1.1
113.05995	0.9
115.01204	0.5
127.07565	2.3
127.17608	0.5
129.05492	3.7
131.08569	2.4
131.92987	0.5
131.96217	0.6
131.97430	1.0
132.95818	1.8
137.09563	0.7
137.13275	4.5
145.10141	0.9
149.94026	0.8
150.96922	1.9
155.07047	9.2
155.14311	7.3
155.97444	0.6
173.08122	15.1
173.10596	2.5
173.13197	3.2
173.15366	1.7
173.98456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
57.07068	3.4
60.95855	0.5
61.02925	2.6
67.78480	0.5
70.15237	1.4
73.02917	1.2
84.04531	0.5
86.06093	1.0
86.09706	100.0
87.10062	0.7
89.06031	3.2
89.71629	0.6
95.27898	0.5
98.98481	4.4
101.06028	0.7
110.06023	0.8
111.98454	0.7
128.07072	1.3
131.12363	0.5
132.06590	2.6
132.08069	1.3
132.95810	0.9
146.11734	1.1
149.98457	0.5
150.96899	0.9
156.07365	0.5
171.43192	0.6
173.98576	0.7
174.05557	0.6
174.07523	3.3
174.12764	4.8
174.14902	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	177.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45496	0.1
54.98639	0.3
56.90691	0.1
56.96569	9.4
60.15143	0.1
61.32981	0.1
70.28349	0.1
70.63345	0.4
71.95277	0.5
75.41987	0.2
85.91320	0.1
97.72092	0.2
98.97589	100.0
99.97929	0.7
114.95424	0.2
116.98627	50.7
117.98923	0.4
123.57246	0.1
130.05359	0.1
132.96420	0.2
134.99664	14.9
136.92178	0.2
140.00209	0.7
141.96985	0.3
144.43437	0.2
153.00734	1.1
153.47798	0.2
154.93219	0.8
157.01683	0.2
158.01312	0.3
158.99667	0.4
171.09500	0.2
172.94307	1.1
177.00714	2.2
177.04137	0.3
182.25061	0.1
190.95332	0.6
192.87538	0.2
193.93433	0.1
195.01724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.01882	0.6
63.02388	1.4
68.99797	1.4
69.03425	0.6
69.07051	0.5
69.97762	1.3
76.07730	0.5
77.03930	0.4
78.04722	2.1
79.05486	0.7
81.07028	0.4
84.53985	0.4
89.03925	40.8
91.05477	3.5
93.07057	1.7
95.04971	1.8
98.22821	0.5
98.23314	0.5
98.97616	2.6
98.98479	1.5
101.75594	0.4
103.05479	2.0
105.07051	1.0
106.04169	2.5
107.08611	1.1
116.98647	1.7
117.03388	71.5
118.03726	0.6
118.05372	0.4
119.04963	0.6
119.08573	1.2
121.06520	1.2
121.10088	0.7
124.05241	0.6
131.08583	1.6
134.02710	0.6
134.03659	8.4
134.99673	0.7
135.04420	4.0
135.08078	0.5
135.11720	1.2
144.09299	0.5
145.02858	100.0
146.03192	1.1
149.02345	0.7
149.05991	23.6
149.09663	0.9
158.05988	0.7
159.11713	1.1
162.03116	1.7
163.03951	2.1
174.76317	0.4
177.05481	34.8
177.10318	0.7
177.12724	3.3
178.05820	0.5
186.05553	2.1
193.86014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01596	0.2
62.01576	0.3
63.02380	1.0
65.57433	0.2
68.99801	0.3
69.25800	1.5
77.03914	0.4
78.04704	2.1
79.05518	0.4
81.07064	0.4
89.03912	35.8
90.04251	0.3
91.05478	3.0
93.07043	1.1
95.04972	0.7
95.08604	0.6
95.67743	0.3
98.97592	0.6
98.98458	0.5
103.05444	1.6
105.03338	0.4
105.04535	0.5
105.07022	0.4
106.04168	2.9
107.08551	0.3
117.03371	67.6
118.03668	0.6
119.04956	0.4
121.06514	0.8
121.10141	0.4
124.05202	0.3
129.04501	0.4
134.03625	7.6
135.04413	5.1
142.81738	0.3
145.02838	100.0
146.03169	1.1
149.05968	22.0
150.06305	0.4
158.06010	0.3
162.03127	1.0
163.03897	1.8
177.05461	35.1
177.09016	1.0
177.12695	0.6
177.16449	0.4
178.05803	0.7
186.05510	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	Unknow
Peak:m/z	Relative Intensity
54.80305	0.4
63.02386	1.3
64.60921	0.4
67.05522	0.4
69.24580	2.4
75.01716	0.4
78.04705	2.3
79.05502	0.4
81.07037	0.5
89.03918	34.5
89.13745	0.4
91.05483	1.9
93.07042	1.1
95.04953	0.8
97.31573	0.4
98.22487	0.4
98.97597	2.0
98.98466	1.9
103.05448	1.2
105.03400	0.6
105.04504	0.5
105.07015	0.6
106.04191	2.5
107.08598	0.9
116.98603	1.2
117.03382	65.2
118.03706	0.8
121.06533	0.6
121.10146	0.9
124.05232	0.7
129.04472	0.5
131.08499	0.5
134.03625	7.4
135.04436	3.8
137.04599	0.4
145.02849	100.0
146.03157	1.1
149.02303	0.9
149.05980	20.8
162.03059	1.0
163.03894	1.4
176.15141	0.5
176.19170	0.5
177.05467	32.9
177.10387	0.9
177.12767	1.4
186.05531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
59.57876	0.7
60.41460	0.7
63.02383	0.8
69.07061	1.2
73.69446	0.7
75.67901	0.8
78.04701	3.0
78.14854	0.7
79.05471	1.3
80.60067	0.9
81.07054	1.6
89.03915	36.9
90.04183	0.8
91.05471	3.9
93.07036	2.3
95.04909	0.8
95.08601	2.3
97.00813	0.7
98.97584	4.4
98.98438	4.8
103.05518	1.1
106.04163	3.3
106.58779	0.9
107.08585	2.8
116.98630	2.6
117.03378	64.3
121.06489	1.7
121.10133	3.5
124.05222	1.8
134.03641	9.3
134.99640	2.4
135.04454	6.2
135.11699	1.6
145.02843	100.0
146.03140	1.5
149.02339	2.3
149.05972	23.5
155.45041	0.7
158.06047	1.1
159.11655	1.3
162.03168	1.5
163.03888	2.3
177.05450	32.0
177.06944	1.8
177.10185	3.4
177.12733	2.3
177.16374	2.4
186.05455	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.14303	0.3
50.46035	0.3
55.71696	0.3
56.27671	0.3
56.40719	0.3
63.02373	0.7
70.96670	0.5
75.59974	0.4
77.03910	0.5
78.04718	2.1
79.94689	0.3
89.03918	32.4
91.05457	1.9
95.05003	0.8
96.53947	0.3
98.97607	0.8
103.05500	0.7
105.03445	0.4
105.24152	0.4
106.04169	2.6
107.04937	0.4
116.98626	0.5
117.03378	65.5
118.03703	0.8
119.04938	0.6
121.06521	0.8
124.05226	0.4
134.03629	7.4
134.04579	0.7
135.04407	3.0
145.02846	100.0
146.03177	1.1
149.05980	20.8
162.03134	0.7
162.24867	0.4
163.03928	1.3
177.05470	27.1
178.05835	0.5
186.05469	0.9
186.30421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.123
Annotation	Valerianine
Peak:m/z	Relative Intensity
56.96567	3.0
76.35890	0.4
79.05515	0.8
88.02225	1.9
91.05482	0.7
98.97578	2.5
99.97935	2.0
105.07057	1.2
107.08584	0.5
115.05447	0.5
116.98626	2.2
117.07020	1.2
117.98991	1.7
118.03726	0.5
118.06548	5.7
118.96761	2.7
119.01945	0.4
119.07336	7.1
122.06093	0.4
123.04420	0.4
132.08104	1.4
134.09662	51.1
134.99669	1.5
135.06680	1.1
135.10010	0.4
136.00021	1.0
136.93120	0.7
136.95375	0.4
146.03210	0.7
146.06038	0.5
150.74619	0.4
154.94220	0.7
154.96489	1.0
160.11223	1.0
162.09131	1.7
163.09970	1.2
172.94107	0.9
172.95490	1.8
177.98112	0.8
178.05060	1.3
178.07178	2.7
178.08980	2.7
178.12283	100.0
179.03407	0.8
179.12599	1.8
185.40665	0.4
190.95338	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	181.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14752	0.2
56.96569	7.0
71.95277	0.3
98.97588	100.0
102.96924	0.5
114.24431	0.3
116.98627	42.2
120.97924	0.3
134.99666	10.0
140.00177	2.3
153.00760	0.6
158.01277	2.3
169.17757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
53.47961	0.5
56.79976	0.5
56.96569	2.3
64.03158	0.5
64.75293	0.5
65.03943	1.9
67.05508	1.1
77.03928	1.5
79.05494	9.9
82.04183	2.6
85.02925	0.8
89.03914	15.9
91.05486	1.7
93.03411	1.2
95.04967	2.3
97.06517	1.6
97.76057	0.5
98.97585	29.0
105.04529	1.0
107.04955	8.0
110.03676	3.5
111.04449	1.3
116.98626	13.2
117.03384	20.8
120.02065	0.5
124.93410	0.5
125.06009	5.7
134.99658	3.2
135.04417	34.4
138.03122	12.5
139.03865	0.8
140.00208	0.7
145.02853	20.5
145.03905	1.3
153.05478	5.0
158.01302	0.6
163.03905	100.0
164.04257	0.6
166.02638	6.3
171.06534	1.8
175.61346	0.6
181.04951	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	185.0446
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
53.03946	2.1
65.03937	1.3
69.41524	4.1
77.13448	0.9
79.01840	1.0
79.05518	1.2
81.03415	26.9
83.04986	2.0
93.07013	1.2
95.04957	4.9
97.02882	2.9
102.96870	4.8
107.01318	34.4
107.06066	2.0
107.08597	3.4
108.02139	1.9
109.02884	49.3
111.04434	4.1
121.07663	2.4
121.10159	1.2
123.04432	5.8
125.02344	3.5
126.03139	100.0
126.65784	1.0
127.03981	1.3
135.00789	6.7
139.03922	14.9
141.05473	28.9
149.07130	2.3
149.09677	1.4
152.01070	1.8
153.01851	6.9
167.03391	23.1
167.08234	1.2
167.52260	0.9
185.04451	11.6
185.09251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65459	0.5
51.02361	0.6
53.00297	0.6
53.03945	1.4
55.01865	0.8
55.05497	1.1
59.04994	0.6
60.84528	0.6
60.95832	0.8
65.03928	1.3
67.05494	1.6
69.07057	1.2
69.43243	2.4
69.43571	0.6
71.04976	1.2
79.01823	0.7
79.05519	0.6
80.02618	0.7
81.03416	22.9
81.07039	1.1
83.04954	1.3
86.09715	1.0
93.07043	0.8
95.04963	6.5
95.06052	0.5
95.08620	0.7
97.02892	3.1
102.96873	5.3
105.04514	0.8
107.01318	29.3
107.06083	1.2
107.08580	1.2
108.02096	2.2
109.02879	50.4
109.10124	0.7
110.03168	0.8
111.04437	2.2
116.10771	0.6
117.03357	1.6
119.06033	0.8
120.01936	0.9
120.97134	0.6
120.97871	2.6
121.07619	1.8
121.10135	1.7
123.04414	5.6
125.02364	4.3
125.06022	0.8
126.03131	100.0
127.03922	1.3
128.50499	0.6
131.06062	0.6
135.00760	5.5
137.07137	0.8
138.98955	1.1
139.03909	12.7
139.11182	0.9
141.05461	33.3
142.05821	0.6
145.02831	2.5
149.07069	3.7
149.09569	0.8
152.01071	1.5
153.01828	9.3
157.04950	0.8
167.03404	22.3
167.08136	1.5
167.10573	0.6
185.04445	9.5
185.09203	1.0
197.21263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0447
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
53.03934	0.8
55.01869	1.2
55.05504	1.5
60.95848	1.9
65.03941	1.4
67.05503	2.0
69.04564	0.7
69.07059	0.8
70.06602	0.7
71.01382	0.6
71.44479	0.4
79.01850	1.0
79.05481	0.8
81.03423	19.3
81.03903	1.1
81.07075	0.6
83.04978	1.0
83.08662	0.6
86.24780	0.5
93.07040	0.5
95.04977	7.6
95.06116	0.6
96.02089	0.5
97.02917	2.8
97.10209	0.7
98.97587	0.9
100.11285	0.7
101.00870	0.6
102.00977	0.9
102.96875	13.1
103.00611	0.5
105.04520	0.5
107.01324	25.2
107.06062	3.3
108.02121	2.5
109.02888	53.9
111.04441	1.8
115.95405	0.5
119.01941	1.9
119.06078	1.2
120.02024	4.7
120.97907	11.6
121.01678	1.1
121.07641	5.0
121.10101	0.9
123.04449	6.6
123.05470	0.8
124.01545	0.7
125.02353	3.6
126.03145	100.0
127.03448	1.0
131.06097	0.9
135.00754	3.7
137.02995	0.8
137.07118	1.8
138.03082	1.9
138.98955	6.5
139.03900	9.8
139.07457	0.7
141.05473	34.9
141.81677	0.5
143.03645	1.6
144.03204	0.7
149.07114	5.7
152.01028	1.1
152.35326	0.5
153.01831	9.5
157.00032	1.0
157.05022	1.3
157.06477	0.6
161.04810	0.5
162.00543	1.2
162.04337	0.5
163.01852	1.1
167.03403	20.0
167.08186	3.8
170.02194	0.6
180.04126	0.8
181.02919	1.3
185.04462	9.4
185.05916	0.4
185.09230	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	187.1329
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
55.01892	1.7
55.05502	6.5
57.03440	2.4
57.07073	5.3
61.14571	1.2
64.06611	1.1
67.05503	53.6
69.03422	2.0
69.07079	6.3
71.04990	71.4
79.05482	14.4
81.03361	1.3
81.07054	45.7
83.04969	6.1
83.08605	2.8
85.06540	100.0
88.02217	3.6
88.60428	1.2
91.05479	34.2
93.07047	13.0
95.04989	2.6
95.08609	4.7
97.06536	5.0
105.07024	32.9
107.08588	34.0
109.06510	6.2
109.10152	54.9
109.10894	2.7
111.08122	1.6
113.05989	2.8
123.08074	2.4
123.11701	10.1
125.09619	1.5
131.08617	2.1
133.10126	75.3
151.11177	40.9
159.11665	1.2
169.12238	13.5
172.08852	2.1
187.11118	3.9
187.13086	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
55.53986	0.3
69.88573	1.0
70.98844	0.3
73.35518	0.4
86.20397	0.3
91.05479	2.9
97.80559	0.3
115.05452	4.5
117.05765	1.3
117.07008	3.7
118.06538	62.6
119.06913	0.6
120.40036	0.4
132.08122	0.5
142.06529	5.7
143.07301	10.4
144.04451	1.0
144.08083	26.3
145.06464	0.6
146.06000	100.0
147.06354	1.1
155.06046	1.1
160.07613	0.8
170.06003	9.3
170.07397	0.7
188.07065	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82182	0.5
53.21537	0.6
56.05038	0.6
69.03424	0.6
78.32121	0.7
84.04503	1.7
88.02225	1.4
93.51397	0.5
97.70301	0.6
98.42403	0.7
104.90835	0.9
105.07069	1.1
123.69373	0.6
128.04982	11.9
128.07068	1.4
144.08072	0.7
145.08900	2.2
146.06021	100.0
146.91879	1.8
147.06401	1.3
160.09885	0.6
160.11208	0.7
164.92929	1.5
173.08438	1.0
174.05528	24.1
188.05417	1.4
188.07085	22.7
188.09074	1.7
188.10680	6.4
188.12502	0.7
188.20148	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	188.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.07070	1.5
69.36523	1.4
71.08524	0.3
72.47882	0.4
74.75745	0.2
84.04504	3.4
85.02903	0.6
86.06078	1.3
86.09708	100.0
87.10024	0.6
91.05483	0.8
105.07018	0.7
112.86078	0.3
116.10709	0.5
119.04930	1.1
119.08551	0.5
128.10721	40.4
129.02876	0.2
129.11046	0.3
131.08571	1.1
142.12280	0.5
143.08539	0.6
145.10060	0.4
146.06021	0.3
146.11763	20.5
147.08035	0.7
156.09351	0.9
170.11765	25.7
171.11684	1.4
176.61769	0.4
188.09181	0.8
188.11072	0.5
188.12804	3.2
189.12766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
54.47901	0.9
55.01878	17.7
55.05519	1.0
56.96559	4.1
57.03439	26.5
57.04562	1.2
58.06568	1.5
58.99865	1.9
59.05002	2.2
60.02120	0.9
60.08166	19.5
61.02925	4.2
61.45481	0.9
62.54655	1.0
65.03923	2.7
67.05507	2.3
68.99785	2.9
69.03432	13.8
69.07063	2.7
70.06594	16.6
70.99864	1.2
71.01360	11.4
71.04995	3.8
72.08163	2.0
73.02924	26.7
74.07218	6.4
77.00921	2.1
78.52966	1.5
79.05494	2.6
80.52722	1.6
81.01924	1.7
81.03424	15.7
81.07040	1.2
82.01431	1.7
83.01334	3.4
84.04510	11.5
84.08147	39.9
84.52968	10.1
85.02905	6.0
85.34818	1.3
86.09721	11.5
87.00843	1.5
87.01866	1.1
87.04468	15.5
88.02708	1.9
89.02399	3.1
92.52695	1.7
93.01930	1.4
93.53479	9.3
94.03652	1.3
94.04211	4.5
95.01325	1.2
95.04983	5.5
97.01385	1.2
97.02911	5.3
98.23519	1.9
98.52675	1.7
98.97584	6.7
99.53441	1.2
100.00113	4.4
100.02489	9.3
101.00905	12.0
101.01513	1.5
101.01682	2.1
101.02377	33.5
102.02438	3.4
103.02428	1.1
103.03957	2.9
103.05458	1.6
104.52670	1.6
106.02668	2.0
106.96597	3.1
107.04966	9.3
109.02882	58.2
109.06472	1.2
110.02939	2.1
110.03674	37.8
110.53709	1.4
111.00787	5.0
111.02941	1.7
111.04515	6.4
113.00872	11.4
113.02398	1.4
113.53208	2.3
115.02448	3.5
115.03190	3.0
115.03926	29.1
116.07079	5.2
116.98625	5.5
118.01138	6.3
118.02728	1.3
118.03532	3.9
119.01106	1.1
119.01934	18.9
119.03436	1.4
119.04958	1.5
121.06522	1.4
122.53728	1.4
123.04495	5.3
124.02524	1.6
124.97646	1.9
125.03449	3.0
127.03946	2.0
129.01810	6.2
130.02756	1.5
130.04994	5.3
130.08635	19.3
131.01912	34.7
132.02025	1.7
132.52780	3.4
133.03340	5.2
133.53468	1.3
134.03900	3.8
134.99660	2.2
135.04411	12.3
136.02232	1.2
137.02962	2.5
139.00262	3.6
139.03180	4.0
140.10841	1.1
141.11049	3.0
142.03529	5.0
142.98688	2.2
143.01903	3.8
143.03415	2.7
143.11826	2.5
144.10291	1.3
144.11314	2.5
144.13763	2.8
144.53973	1.4
145.03430	7.2
146.99606	1.4
147.01433	1.9
147.03238	1.9
147.04436	7.5
148.03665	9.4
148.53670	1.2
149.02977	1.6
149.05972	2.8
151.03900	1.1
154.03477	2.6
155.01892	3.8
157.01375	26.4
157.04283	100.0
157.54327	14.6
158.09285	1.3
159.04933	1.5
161.02979	3.6
161.06021	1.7
162.05516	17.3
166.04755	32.3
166.54892	4.9
168.02708	9.0
168.05238	4.1
168.55006	5.9
169.03546	7.0
170.13651	2.0
171.02914	1.2
172.09622	6.8
173.02986	2.5
175.02307	2.6
175.04552	9.2
177.04164	1.4
177.05821	4.9
177.55560	1.4
183.01434	1.8
183.05009	1.5
185.03018	1.6
185.55307	1.4
186.03752	7.1
187.04536	6.6
189.03992	3.8
189.13736	6.1
189.15993	9.2
190.04948	8.4
191.02005	1.1
192.05043	1.3
197.02954	3.0
199.04428	1.7
208.78145	1.2
209.02974	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
67.05474	2.1
67.39951	1.8
69.03426	3.9
69.07072	2.1
69.98241	4.2
71.15726	1.9
91.05492	12.0
93.07033	3.1
105.07039	15.7
106.96538	2.6
107.08611	3.2
109.06512	2.1
112.70136	2.0
117.06991	4.4
119.04929	2.3
119.08581	22.8
127.77470	1.9
128.06215	2.5
129.07031	6.0
130.07784	3.8
131.08571	16.7
133.06558	2.2
133.10133	6.0
141.07062	4.3
143.08548	7.7
145.10129	15.1
146.10873	2.4
147.07063	2.2
147.08040	12.1
147.11685	27.6
155.16783	1.9
156.09351	33.5
159.08055	5.7
159.11710	7.0
161.09654	4.7
161.13225	4.6
171.11690	43.6
174.06749	4.8
174.10422	8.4
179.16293	2.2
189.09081	10.8
189.12741	100.0
202.58803	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.8
56.28445	0.6
57.07095	0.7
57.14532	0.6
59.05000	2.3
69.03452	1.2
70.41480	1.2
79.05485	0.8
80.07793	0.6
81.07041	0.7
83.04988	1.4
87.53665	0.7
91.05481	53.4
103.05444	1.3
105.07033	8.0
106.96551	0.9
107.08593	1.1
109.06533	1.2
113.82803	0.6
115.05453	2.4
116.06244	6.6
117.07024	3.9
119.04951	11.0
119.05882	0.9
119.08582	48.2
128.06238	2.7
129.07011	14.1
130.07768	1.9
131.08566	100.0
132.08905	0.7
133.06500	1.7
133.10123	3.4
141.06987	3.5
142.07768	1.9
143.08562	8.8
144.09309	0.8
145.06471	2.5
145.10118	8.7
146.82237	0.8
147.08049	61.2
147.11673	5.7
155.08580	1.5
156.09346	25.5
159.08076	1.3
159.11697	3.8
160.08888	0.8
161.09650	2.7
161.13220	1.9
171.11685	36.1
174.10425	3.0
189.09117	2.1
189.12741	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03429	1.3
60.70246	1.2
69.03420	3.9
69.73770	2.4
71.04995	2.1
79.64963	1.4
91.05481	5.4
91.16871	1.5
93.07069	1.8
105.07025	14.1
107.08608	2.3
117.07014	4.3
119.08582	21.7
128.06232	1.8
129.07068	1.8
130.07800	2.8
131.08569	8.6
133.06508	3.0
133.10147	6.4
141.07001	5.4
143.08543	5.2
145.10129	17.9
147.08090	7.1
147.11691	30.5
155.08571	2.7
156.09338	33.3
159.08026	7.1
159.11699	7.2
160.08835	2.9
161.09659	2.0
161.13214	3.3
167.23346	1.4
171.10242	1.4
171.11693	41.4
174.10419	9.8
189.12746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46127	2.1
58.35390	1.7
59.04986	5.4
60.15675	1.6
60.29447	2.0
63.55703	1.8
65.05592	2.4
67.05508	3.1
69.03433	2.1
69.07052	3.4
69.80118	6.7
70.54625	1.7
79.05477	4.2
81.07047	3.3
83.04958	7.4
86.09708	17.9
87.10030	16.5
91.05486	13.3
93.07053	3.7
98.22730	2.3
103.05507	2.4
105.07035	35.0
106.96568	4.9
107.08643	2.7
109.06506	6.3
109.10154	1.8
113.33936	1.9
115.05406	2.3
117.07024	2.6
119.04942	67.2
119.05904	4.1
119.08583	37.0
124.97572	2.5
128.06198	6.4
128.10742	4.6
129.06987	7.9
129.11070	10.9
131.08546	17.9
133.06458	4.5
133.10101	8.5
141.06956	8.7
142.07745	6.8
142.98590	2.8
143.08566	32.0
145.10115	25.1
147.08063	22.0
147.11668	11.1
155.08553	6.4
156.09349	72.9
159.11716	12.6
161.09605	7.4
161.13330	9.8
171.11687	100.0
174.10393	8.2
189.09067	5.2
189.12718	74.9
189.16336	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	190.0501
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96553	0.4
73.84485	0.3
80.06580	0.2
84.08132	0.3
84.30945	0.3
87.04480	0.3
89.03923	1.1
93.93018	0.3
97.34392	0.2
98.06023	0.3
98.97585	0.4
108.32776	0.2
116.04980	2.2
116.98644	0.3
131.07207	0.2
132.43741	0.2
134.05969	0.3
134.99651	0.3
144.04469	1.0
144.06635	0.4
149.01212	0.4
149.02309	0.7
162.05513	100.0
163.05859	1.1
190.05006	43.5
190.08635	0.9
191.03470	0.3
191.05386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99080	0.6
55.05489	0.3
57.07073	20.5
59.99111	3.1
62.99077	0.5
67.06731	0.2
69.98154	0.4
69.98491	0.6
76.58920	0.3
78.00150	31.3
81.07097	0.3
84.08132	0.9
86.09705	8.0
88.02194	0.5
92.01707	1.0
98.22781	0.3
116.05289	0.9
121.06481	0.4
130.06821	0.3
134.06348	37.8
135.06744	0.2
145.10077	0.3
148.07898	3.2
149.02327	1.2
157.16522	0.3
172.11633	0.3
174.03612	0.3
190.12592	100.0
190.62488	0.3
191.12929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0339
Annotation	Ayapin
Peak:m/z	Relative Intensity
53.00307	0.5
53.03940	0.9
55.01903	0.3
55.05511	0.4
57.03409	0.2
59.04991	0.3
63.02353	0.3
64.03149	0.9
65.03934	0.6
67.05508	0.5
75.02364	0.4
77.03922	2.3
79.05495	6.3
81.03416	0.4
81.07066	0.5
81.87115	0.3
83.04955	0.6
85.25540	0.3
89.03919	1.1
91.05467	1.4
92.02626	4.6
93.07036	0.9
95.01340	1.3
95.04972	5.9
95.08605	0.4
96.81958	0.2
103.01841	0.5
103.05480	0.4
105.03397	2.2
105.04508	1.7
105.07018	1.2
107.01312	0.6
107.04959	11.9
107.08569	1.3
109.02878	4.1
109.06496	0.4
109.10165	0.4
111.00815	0.3
111.04465	1.4
117.03373	0.8
117.07007	0.3
119.04973	0.5
119.08580	0.7
120.02084	9.9
121.10134	0.7
123.00778	0.5
123.04414	0.8
124.01571	0.7
129.07016	0.4
131.00446	0.2
131.01297	1.8
131.04906	2.3
131.08562	1.3
131.90852	0.2
133.02849	2.6
133.10143	1.9
134.03627	0.3
135.00797	0.8
135.04419	11.9
135.08052	0.6
135.11630	0.2
137.02383	0.3
138.03169	0.3
139.03894	0.3
144.09230	0.3
145.02858	0.4
145.03990	0.5
145.10132	0.7
147.04431	0.2
147.11708	0.7
148.01553	4.5
149.01215	0.4
149.02304	0.4
152.01059	2.2
158.10905	0.4
159.04422	3.5
160.05061	0.3
163.03903	23.4
164.04242	0.5
166.02620	1.9
167.97177	0.2
173.13223	1.8
175.99631	0.4
176.01057	5.6
176.04662	1.4
177.01497	0.3
179.03534	0.3
181.04958	1.6
191.03389	100.0
191.11794	1.0
191.14262	3.0
192.03725	1.4
194.02080	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	191.1069
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03947	2.5
55.01886	6.4
55.05516	10.1
56.96571	1.8
57.03442	2.0
57.07077	1.2
63.99507	0.8
65.03939	2.1
67.05515	11.9
69.03066	1.1
69.03434	14.6
69.07085	9.4
69.37131	1.8
69.37531	3.4
71.05002	5.8
71.72235	0.9
77.03913	2.1
79.05500	17.8
81.03421	1.0
81.07065	12.9
81.60230	0.9
83.04995	7.2
85.86121	0.8
91.04947	2.2
91.05490	30.3
93.07051	52.1
95.04983	20.7
95.08617	3.4
97.05970	1.3
97.06541	16.1
98.23080	3.9
99.04432	1.0
103.05472	3.6
105.04520	1.9
105.07040	68.8
107.04959	7.5
107.08604	36.5
107.09341	1.4
109.02901	1.1
109.06529	25.3
109.10158	9.1
115.05457	4.1
116.06229	2.1
117.07025	21.3
119.08586	17.3
120.91447	0.9
121.06516	100.0
121.10157	20.3
123.08076	3.6
128.06221	2.1
129.07014	4.9
130.07794	13.7
131.00160	1.3
131.04924	1.5
131.08580	34.6
133.06476	3.4
133.10141	32.0
134.57156	1.0
135.04437	2.9
135.07047	1.4
135.08064	25.9
135.11714	12.9
137.09633	5.0
137.10547	1.3
141.05492	1.5
143.08601	5.4
145.06477	2.6
145.10138	97.8
146.10461	1.0
147.08047	6.3
147.11702	16.1
148.08876	1.2
149.01212	2.2
149.05988	7.7
149.09636	14.6
149.13287	7.5
153.07022	1.3
155.08614	5.2
158.07285	11.1
158.10944	3.0
160.05011	1.6
161.09653	2.9
163.07506	1.6
163.11198	57.8
163.14824	2.7
173.09639	48.3
173.13257	14.9
176.11926	1.7
191.03372	1.2
191.10667	99.3
191.14319	63.6
192.07822	1.1
192.11125	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01862	3.7
55.05510	1.7
57.03428	1.7
57.07076	1.6
57.36743	1.2
59.04994	1.8
67.05510	17.6
69.03435	3.5
69.07062	6.2
69.23886	6.9
71.04999	21.0
79.05511	11.2
81.07064	9.6
83.08618	2.1
85.06542	7.3
91.05488	12.6
93.07052	10.2
95.04985	14.9
95.08620	11.7
97.06515	5.6
98.22952	5.8
98.23504	1.6
105.07035	25.8
107.08605	31.2
109.06531	75.1
109.10168	91.0
111.08087	1.9
115.05441	2.8
117.07023	6.6
119.08578	8.3
121.06487	6.0
121.10155	23.9
123.08080	24.6
129.06990	2.9
129.36958	1.5
131.08577	43.9
133.06488	2.7
133.10136	21.7
134.96599	1.5
135.08070	91.8
135.11618	1.5
143.08582	5.2
144.09369	1.8
145.10135	9.5
147.08081	2.1
147.11691	8.7
148.08977	1.9
149.03078	1.4
149.09621	13.3
149.13286	6.1
150.10384	4.0
158.10936	8.3
160.05009	2.1
163.11090	1.4
163.14868	1.5
165.35609	1.3
173.05914	1.6
173.13281	48.8
176.12012	3.6
191.14326	100.0
192.14590	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05511	2.8
57.03424	0.5
57.07064	0.4
58.63286	0.4
59.78307	0.4
60.95716	0.4
62.18982	0.5
65.03942	0.6
67.05507	3.4
69.03431	6.1
69.07067	3.7
70.73469	0.8
71.05004	0.8
79.05499	6.1
81.07056	5.4
81.19783	0.4
83.04967	1.2
83.08613	0.6
85.06538	0.7
91.05470	5.7
91.98234	0.4
93.07043	6.5
95.04966	1.9
95.08602	3.3
105.07030	12.4
107.04958	3.6
107.08588	21.1
109.06524	2.3
109.10155	6.5
115.05463	0.9
117.07028	1.2
119.08584	3.4
121.06510	2.0
121.10145	13.1
122.07313	2.7
123.08054	1.4
129.06981	0.7
131.08574	5.3
133.10127	100.0
134.10472	0.8
135.08051	4.4
135.11690	1.7
137.09613	15.1
138.17801	0.5
143.08566	1.6
145.10107	2.9
147.11679	2.4
149.09601	1.4
149.13272	10.5
158.10942	2.7
163.14809	2.2
173.13271	9.0
191.03328	2.1
191.14307	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03955	0.4
53.58580	0.3
55.01880	3.5
55.05505	1.3
56.07072	0.4
67.05501	2.0
69.03432	1.0
69.07076	14.8
69.22446	0.3
69.78251	1.3
71.04675	0.4
71.05000	3.7
72.90630	0.4
77.03924	0.5
79.05500	2.0
81.07062	3.3
83.04972	1.4
83.08610	0.8
85.06540	1.3
91.05481	4.7
93.07057	12.3
95.04982	1.3
95.08626	4.3
97.06539	4.0
105.04506	0.5
105.07030	6.2
107.08601	12.9
109.06525	2.5
109.10165	2.7
111.08091	0.7
117.07031	1.4
119.08599	2.7
121.06513	15.7
121.10164	10.8
123.08080	7.3
123.11008	0.5
123.11730	4.3
129.06984	0.5
131.08583	6.6
133.10141	10.3
135.08072	8.1
135.11731	2.3
137.09592	0.6
139.40712	0.3
143.08560	1.1
144.09319	0.4
145.10147	3.9
147.11696	24.3
148.48018	0.4
149.01199	0.4
149.09624	4.0
149.13272	8.2
158.10910	2.3
161.09630	5.7
163.11177	0.7
163.14880	1.5
173.09636	0.5
173.11833	0.7
173.13278	12.3
176.11964	1.6
191.14323	100.0
192.14613	1.2
207.56221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01868	1.2
55.05511	3.2
57.03445	0.9
57.07077	4.1
59.04993	1.5
60.13058	0.5
61.88330	0.5
67.05507	6.5
69.03429	0.9
69.06710	0.8
69.07070	12.2
70.24162	1.2
71.04988	2.3
73.35484	0.4
77.03937	0.9
79.05497	6.0
81.03415	1.8
81.07055	34.3
82.39518	0.5
83.04972	0.9
83.08623	3.8
85.06519	2.4
91.05479	6.5
93.07037	11.8
95.04960	2.3
95.08611	11.5
97.06526	7.7
103.05450	1.1
105.07030	12.0
107.04943	1.4
107.08588	18.5
108.09356	0.7
109.06517	3.9
109.10162	9.3
115.05433	0.6
116.06132	0.5
117.07031	2.5
119.08571	4.4
120.91366	0.5
121.06505	3.4
121.10143	21.1
123.08076	8.4
123.11705	100.0
124.12039	0.9
129.06976	0.8
130.07819	1.0
131.08560	12.2
133.10129	35.3
135.08055	8.9
135.11700	5.3
137.09583	3.2
143.08556	2.0
145.10124	9.0
147.11688	2.9
149.09691	2.5
149.13266	4.0
158.10919	2.4
163.11194	1.5
163.14827	7.9
171.11743	0.5
173.09627	1.2
173.13263	17.0
191.10677	3.3
191.14304	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66690	0.4
54.93848	0.4
55.01884	3.6
55.05507	1.2
55.15455	0.5
67.05492	1.2
69.07074	13.9
69.25294	2.3
77.03927	0.6
79.05505	2.5
81.07052	1.7
81.81328	0.4
83.04974	1.1
83.08629	0.8
91.05476	3.7
93.07051	12.5
95.04952	0.5
95.08611	1.6
97.06530	2.0
98.23428	1.1
105.07029	3.4
107.04929	0.8
107.08601	8.4
109.06537	1.4
109.10163	1.2
117.07018	1.1
119.08609	2.1
121.06511	15.4
121.09364	0.7
121.10148	6.3
123.08062	1.8
130.07855	0.6
131.08575	4.4
133.10149	7.1
135.08070	7.1
135.11699	2.4
137.09599	1.3
145.10130	3.5
147.11694	22.5
149.09624	2.5
149.13264	6.2
158.10936	0.9
161.09622	5.1
163.11211	1.0
163.14825	1.6
173.13258	7.0
176.12000	1.8
191.14316	100.0
192.14580	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05505	3.0
56.96567	1.5
57.03420	0.9
57.07083	1.6
59.05004	0.9
67.05508	6.1
67.48581	0.7
68.26022	0.7
69.03438	3.7
69.07072	10.1
69.50369	3.4
69.60586	0.8
71.04633	1.1
71.04995	15.3
79.05494	6.2
81.07067	8.8
83.04974	1.1
83.08600	1.7
85.06539	9.1
91.05476	10.1
93.07053	14.0
95.04962	5.2
95.08607	14.6
97.06530	14.7
98.22692	1.6
100.80488	0.8
105.04504	0.8
105.07036	22.8
107.04954	1.3
107.08598	25.9
109.06528	9.9
109.10164	7.2
111.08095	3.2
115.05427	1.3
117.07038	2.5
118.47704	0.7
119.08590	10.1
120.08195	0.9
121.06480	2.3
121.10152	31.3
123.08085	4.1
123.11687	1.1
129.06998	1.3
131.00168	1.5
131.08574	15.7
132.08115	0.8
133.10136	28.6
135.07040	1.5
135.08058	23.7
135.11685	2.2
143.08586	2.9
143.34929	1.1
144.09355	1.9
145.10121	8.6
147.11702	17.2
149.01256	1.1
149.09627	4.8
149.13263	18.8
158.10928	7.0
161.09610	1.2
163.11201	0.9
163.14766	1.3
173.13271	28.7
185.64609	0.8
191.14316	100.0
192.14630	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03936	4.3
55.01858	2.1
55.05514	7.6
57.03435	15.5
57.07078	2.1
59.04984	4.8
59.49115	1.2
65.03927	1.9
67.05503	11.1
69.03424	8.7
69.07051	4.9
69.40443	4.0
71.04982	5.9
78.37755	1.0
78.62351	1.0
79.05489	11.7
81.07051	51.7
83.04520	1.7
83.04975	17.8
83.08631	1.1
85.02886	4.8
85.06533	3.7
91.05465	13.6
93.06636	0.9
93.07051	10.0
95.04967	10.9
95.08613	10.6
97.06502	2.5
105.07026	28.1
107.04935	2.2
107.08591	21.4
109.06513	91.8
109.10182	7.5
110.07284	3.4
111.04445	2.5
111.08061	2.5
113.05997	1.1
115.05402	1.4
117.06965	2.9
119.04917	2.1
119.08577	54.3
121.06493	6.2
121.10114	2.5
123.04432	1.5
123.08070	14.5
123.11699	5.3
129.06981	1.6
131.04974	1.3
131.08536	2.3
133.06480	8.7
133.10132	11.6
135.08044	26.8
135.11694	10.5
137.05972	12.7
137.09610	19.9
137.13269	1.2
142.07739	3.2
145.06503	9.0
145.10066	1.2
146.07249	4.4
147.08046	7.8
147.11671	25.5
149.09618	1.9
151.07532	2.1
151.11176	39.7
156.76950	1.1
157.10104	4.1
160.08824	29.3
160.10103	2.3
161.05983	6.9
165.12749	7.1
175.11174	99.9
193.04977	6.8
193.08548	3.1
193.12221	100.0
194.15384	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.56977	1.6
54.41282	1.5
55.05512	16.3
55.64521	1.8
57.03433	2.0
57.07064	3.7
57.29981	1.4
59.04995	4.7
66.77278	1.4
67.05505	15.1
69.03403	3.1
69.07069	49.2
69.15725	7.0
69.16152	5.2
70.86300	1.7
71.05001	9.6
75.57693	1.6
76.55936	1.5
79.05500	13.5
81.03411	2.6
81.07055	31.2
81.07516	3.0
83.08620	26.9
85.06548	7.4
91.05492	13.4
93.07045	32.6
95.04954	11.0
95.08609	52.5
97.06543	16.4
98.22596	3.4
99.08092	3.2
105.07043	23.4
107.08598	46.6
109.06521	31.8
109.10159	37.9
111.08070	6.4
111.11722	9.4
119.08579	49.5
121.10146	22.5
123.08065	19.6
123.11742	11.8
125.09638	3.0
133.06485	2.0
133.10126	100.0
135.08076	2.4
135.11699	72.3
137.09607	15.7
147.08080	2.3
147.11665	9.8
149.09615	2.7
149.13269	5.8
150.84215	1.8
151.11208	4.6
151.14865	3.8
157.10129	2.0
165.12766	4.4
165.16405	2.6
175.11229	2.7
175.14827	68.7
190.33806	1.7
193.05009	2.5
193.12224	2.3
193.15887	72.5
194.15434	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	195.0653
Annotation	Scytalone
Peak:m/z	Relative Intensity
55.05496	0.7
63.02374	0.8
67.05508	0.5
69.07079	0.8
76.83003	0.4
79.05501	1.1
79.76999	0.5
81.07047	1.2
89.03912	22.0
91.05498	2.7
93.07057	0.7
95.04969	0.7
95.08586	0.8
96.42197	0.5
103.05457	1.0
104.69239	0.6
106.04175	1.5
107.04959	1.2
107.08583	0.7
109.98976	0.4
117.03375	46.1
119.04946	0.6
121.06538	1.5
121.10126	0.5
130.96295	0.9
134.03638	7.4
135.04407	5.7
135.11691	1.2
137.09758	0.5
145.02841	90.3
146.03165	1.0
148.97391	1.2
149.05969	22.5
149.97212	0.6
150.06419	0.5
153.97920	0.6
162.03148	2.5
163.03896	8.9
172.45659	0.5
177.05464	100.0
178.05844	1.0
186.05508	1.5
193.68378	0.4
194.15393	1.7
195.06502	1.1
195.13759	0.5
195.15765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03113	0.3
62.39945	0.4
63.02385	0.7
65.03937	0.3
69.03448	0.4
70.60143	0.6
71.18609	0.4
78.04722	0.5
79.05515	1.0
81.07049	0.6
89.03917	15.4
89.06015	1.1
90.96120	0.3
91.05484	2.1
93.07049	1.0
95.04960	1.1
95.08624	0.6
103.05443	1.2
106.04177	1.5
107.04955	0.4
107.08580	0.5
111.04435	0.5
117.03381	42.0
119.05870	0.4
119.08546	0.4
121.06507	1.3
121.10126	0.6
124.01539	0.6
125.05981	0.6
129.04417	0.4
131.08499	0.4
134.03639	5.9
135.04410	5.0
135.08047	0.4
135.11673	0.5
138.06702	0.4
145.02846	76.1
146.03148	0.9
149.05983	19.6
149.09668	0.5
152.01082	0.8
153.05461	0.6
162.03154	2.0
163.03903	8.2
177.05472	100.0
178.05788	1.3
180.00494	1.2
181.72986	0.4
186.05528	1.1
194.15344	0.6
195.02879	2.7
195.06483	2.1
195.10196	0.4
195.15689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	Scytalone
Peak:m/z	Relative Intensity
52.60766	0.3
57.03421	0.4
58.80409	0.3
62.01594	0.3
63.02379	0.6
65.42658	0.4
67.05522	0.5
69.07098	0.4
69.46828	1.5
69.47229	0.6
78.04728	1.0
79.05494	0.5
81.07043	0.5
89.03924	20.3
89.06039	0.5
91.05488	2.0
93.03431	0.4
93.07054	0.8
95.04973	0.5
95.08601	0.6
98.22768	0.8
103.05488	1.5
105.03439	0.4
105.04503	0.4
106.04176	1.8
107.04980	0.5
107.08612	0.4
117.03389	44.8
119.04953	0.5
121.06508	1.3
124.05209	0.4
134.03632	5.9
135.04410	4.2
135.11697	0.6
142.17389	0.4
145.02856	82.0
146.03224	1.2
148.97417	0.4
149.05983	19.9
153.05464	0.7
153.97963	0.4
162.03154	1.9
163.03918	7.8
163.05307	0.5
172.06665	0.3
177.05482	100.0
178.05824	1.4
186.05531	1.5
192.87851	0.3
195.06546	1.0
214.20528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.40678	4.4
53.03959	4.0
54.60666	3.8
55.05523	24.7
57.03445	16.7
57.07076	5.3
65.03954	7.1
66.88079	5.0
67.05509	27.8
68.96320	5.7
69.03438	10.3
69.07075	58.1
70.16328	4.4
70.82486	7.0
71.05000	28.2
71.95262	6.9
79.05497	63.1
81.07069	70.8
83.08636	11.8
89.06039	22.4
91.05485	51.9
93.07052	100.0
93.07975	4.7
95.04982	20.1
95.08598	34.9
97.06546	7.7
98.23078	4.4
100.02490	19.6
104.44318	4.0
105.07043	25.6
107.04944	4.9
107.08604	57.3
109.06541	19.6
109.10143	7.0
109.98976	8.3
111.05756	4.2
111.08131	7.3
115.05480	5.2
116.03513	4.3
117.07024	24.8
118.03548	6.4
119.06158	4.3
119.08587	22.9
121.06520	13.7
121.10191	18.0
123.08109	18.5
129.07010	6.5
130.07829	5.6
130.96323	9.0
131.08572	33.4
133.10184	4.8
135.08054	10.3
135.11702	15.0
144.09334	5.3
148.08853	6.1
148.97394	18.7
149.01218	10.0
149.13300	14.5
149.97232	4.7
153.97928	15.5
154.97787	6.2
159.11717	21.3
163.03941	13.9
171.98990	16.5
172.98889	5.1
176.36636	4.1
177.12790	17.2
178.12947	4.5
195.13986	7.2
195.15782	19.8
196.17091	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	197.0812
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.66865	0.3
51.02399	0.3
53.90334	0.3
55.01871	2.5
55.05517	1.6
60.10325	0.3
65.03947	1.2
66.93176	0.3
67.05512	1.9
69.03432	0.3
69.07089	0.4
69.50178	1.4
70.95869	4.8
72.93803	2.5
73.02922	23.8
77.03931	0.5
81.07069	0.4
83.04964	0.4
84.34993	0.3
88.96903	0.9
90.94855	0.5
91.05492	2.5
93.03416	1.1
95.04974	1.5
95.08651	0.4
98.23150	1.0
105.04498	0.4
107.04950	0.4
108.02102	1.7
109.06518	0.3
110.03667	2.5
111.04433	1.7
111.98483	5.7
114.94835	0.3
119.04948	1.5
121.04031	0.4
123.04443	0.3
125.05997	17.1
129.98679	0.4
129.99496	2.3
132.95840	8.9
133.10220	0.3
136.01614	0.4
137.06070	1.5
137.06960	0.4
139.30367	0.3
141.05461	2.3
144.81641	0.3
145.91704	0.3
147.04405	0.7
149.05978	2.4
150.96909	9.8
151.03920	100.0
151.05022	9.1
151.07426	3.3
152.04283	0.8
155.97438	8.0
173.98503	7.4
179.07039	23.0
180.07393	0.5
196.17024	0.3
197.08099	8.0
197.09882	0.6
197.11693	0.5
198.18538	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03941	1.4
55.01871	1.1
55.05509	5.1
55.17321	0.9
56.72990	0.8
57.07063	3.1
59.04991	2.2
59.90899	0.8
65.03922	1.0
67.05507	7.5
69.03442	1.7
69.07053	2.9
69.81027	3.3
70.95867	5.5
71.01346	1.4
71.04971	0.9
72.93776	1.8
75.50650	0.8
77.03892	0.8
79.05475	6.4
79.21391	0.8
81.07057	10.0
83.04996	1.5
85.06516	2.0
87.04419	0.9
90.94814	0.8
91.05477	18.6
93.06460	1.5
93.07041	26.3
95.04964	10.3
95.08601	7.1
97.06515	2.2
97.10125	1.1
105.07025	33.8
107.04945	1.1
107.08588	70.7
108.08852	0.9
109.06522	6.8
109.10145	9.4
111.08075	1.7
111.98466	5.0
113.40314	1.0
117.06995	1.4
119.04921	2.5
119.06068	1.1
119.08577	8.0
121.06532	5.9
121.10149	2.2
123.04407	4.4
123.08066	1.1
123.11686	3.1
125.05988	2.2
127.03895	2.0
128.06200	1.4
129.99489	2.0
131.08551	3.4
132.95821	9.7
133.10120	72.3
134.63379	0.9
135.08063	1.9
135.11687	55.6
137.06020	4.3
137.09625	7.7
143.08527	1.2
146.07246	1.4
150.96880	9.2
151.03868	1.1
151.11176	7.3
155.10638	2.0
155.97415	7.6
161.09618	27.8
161.13150	1.0
164.87112	0.8
173.98470	7.2
179.10658	100.0
179.14119	2.3
183.89594	1.0
184.63467	0.9
197.11716	76.2
197.15396	2.8
198.18521	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.03307	0.4
51.23590	0.4
51.99973	0.4
53.03938	0.5
55.01871	0.8
55.05512	1.4
57.07076	0.8
58.47441	0.4
59.05003	1.2
67.05492	2.3
69.03421	0.7
69.07062	0.9
70.95871	3.2
72.93775	0.9
79.05495	4.4
81.07060	3.5
83.04961	0.7
83.08627	0.5
88.56242	0.4
91.05475	10.3
91.22491	0.4
93.07043	8.3
94.33938	0.5
95.04982	1.8
95.08614	2.0
105.07025	15.8
107.08590	100.0
108.08943	0.7
109.06510	3.9
109.10155	5.1
111.08092	0.6
111.98519	2.4
117.06966	0.5
118.07830	0.8
119.04906	0.9
119.06073	1.7
119.08577	6.7
121.06499	2.6
121.10120	3.7
123.04465	0.7
123.08111	0.9
123.11685	2.1
128.06261	0.4
129.99519	0.9
131.08548	1.8
132.95833	6.0
133.10126	54.3
134.10435	1.0
135.08121	0.5
135.11690	12.6
137.05969	1.7
137.09592	3.1
139.07558	1.1
143.08554	1.0
146.07286	1.2
149.09599	1.2
150.96893	4.7
151.03961	0.9
151.07576	1.0
151.11182	5.8
155.97440	3.8
161.09612	14.8
167.10666	5.4
173.98477	3.4
179.03400	1.0
179.10658	25.8
197.04532	0.8
197.11722	61.0
198.12091	0.6
198.18520	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	199.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03947	1.8
55.01867	1.6
55.05514	3.9
56.05840	0.4
57.07078	2.3
57.93567	0.3
65.03947	2.7
67.05499	3.5
69.03422	0.5
69.07075	3.8
69.73293	0.7
69.73658	0.6
70.75541	0.3
71.08630	0.9
72.04512	1.0
72.08164	0.4
74.09721	3.0
77.03929	2.5
79.05502	1.2
81.03430	0.8
81.07062	1.4
83.04987	0.5
83.08627	3.8
86.06085	0.9
91.05491	0.4
93.03401	1.1
93.07041	0.6
95.04974	26.6
95.08626	0.8
96.08152	0.4
97.02900	1.7
97.06546	0.7
97.10180	1.9
98.22913	0.9
98.97591	6.7
100.07623	1.6
105.04522	3.8
105.46573	0.3
107.08612	0.9
110.03674	1.3
111.04434	2.3
111.08083	0.6
114.09170	0.7
116.97286	2.4
116.98624	4.2
120.02116	0.7
121.02886	1.7
121.03956	0.5
121.06603	0.4
121.07604	0.4
121.10183	0.5
123.04440	13.4
125.02357	14.1
125.06031	0.4
125.09637	0.4
131.99556	0.9
134.99649	1.8
135.09190	0.4
137.02350	0.3
137.05959	0.6
138.03133	0.6
139.03925	0.8
140.04689	100.0
141.05077	0.6
149.02274	0.5
149.03391	0.4
152.96863	0.5
153.05507	0.4
155.07039	15.7
158.01233	0.7
163.08788	0.5
166.02585	0.5
167.03409	1.7
171.04385	0.4
173.08102	1.6
175.98538	2.4
176.02309	1.3
181.04990	4.9
182.08121	0.6
198.18544	57.2
199.04033	0.4
199.06015	2.2
199.10991	0.4
199.14764	0.5
199.18915	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.9
70.62627	0.4
74.09715	0.9
98.97583	100.0
99.97938	0.8
100.08720	0.4
116.98621	56.6
128.32240	0.4
134.99658	18.7
136.07622	0.3
140.00214	1.7
153.00722	1.5
154.08699	0.5
158.01279	2.2
176.02303	0.4
177.00728	3.9
182.08134	0.6
195.01727	1.9
199.18907	4.1
200.19194	1.0
207.69283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.4
56.96285	0.5
56.96569	7.7
65.22918	0.3
65.78786	0.2
70.90357	0.3
71.95277	0.4
98.23010	0.4
98.97590	100.0
99.97925	0.5
109.25972	0.3
116.98629	45.0
134.99664	12.0
140.00221	1.6
153.00766	0.7
158.01283	2.4
176.02330	0.4
177.00703	3.6
195.01816	1.3
199.18878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89464	0.3
55.21241	0.3
56.96563	0.9
58.99876	1.4
59.30777	0.4
60.95837	0.8
70.65364	0.3
71.44437	0.4
77.00905	0.4
82.01446	44.7
82.99802	0.7
83.01537	0.5
83.99920	0.4
97.59416	0.4
98.97582	2.6
100.02483	100.0
100.97218	0.5
100.98023	0.4
101.00877	9.4
101.02562	0.8
101.97158	2.3
102.00932	2.8
102.02904	0.4
102.96870	8.3
116.98625	1.6
118.03522	33.8
118.98220	0.4
119.01920	33.3
119.98231	1.6
120.02006	8.9
120.97913	4.9
121.01666	1.2
123.04044	1.0
134.99666	0.7
137.02956	8.5
138.03046	2.3
138.95427	0.5
138.98958	2.1
139.02687	0.3
141.05069	0.5
142.03505	1.5
143.02016	0.4
143.03618	3.8
144.03209	0.8
145.03439	0.4
152.81764	0.4
156.96449	1.7
157.03470	0.5
161.02960	4.8
161.04674	2.5
161.97047	1.3
162.03085	3.0
162.04332	0.9
174.97583	1.0
175.04518	0.6
179.04021	7.5
179.05504	0.5
179.98114	40.6
180.01517	1.3
180.04135	4.2
197.47993	0.5
197.99179	84.9
198.99275	1.4
199.99940	0.5
202.99713	1.3
221.00841	1.1
221.01894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
57.07083	3.1
59.05007	0.8
65.03938	2.3
66.16380	0.4
67.05523	1.0
69.03442	1.8
69.07073	0.6
69.45943	0.4
71.04996	1.2
71.06124	0.7
71.43794	0.4
79.05482	2.2
81.03403	0.5
81.07069	2.4
91.05486	23.6
93.07056	2.6
95.04981	1.0
95.08633	0.7
97.02917	1.0
97.06549	1.2
98.22990	0.5
99.04453	1.2
103.05487	0.5
105.07034	8.9
107.04986	0.7
107.08614	1.8
109.02861	0.6
109.06523	9.3
117.07027	4.4
119.04952	42.4
119.08604	2.2
121.02860	2.3
121.03997	0.4
121.06519	1.3
121.10172	1.4
123.08076	0.8
128.06224	0.5
129.06992	1.6
130.07819	2.9
131.08595	4.1
133.10182	0.7
133.41388	0.4
135.08122	0.9
135.11678	0.9
141.07031	0.6
143.08594	2.6
144.09380	1.2
145.10136	36.6
147.04417	100.0
148.04729	0.7
149.02351	21.1
149.06000	0.6
154.07814	0.5
159.08054	0.8
159.11713	11.9
161.09589	1.1
161.13269	0.5
162.03220	0.7
163.07526	0.6
163.11218	3.1
167.03477	0.5
169.10165	1.8
172.08817	0.5
175.11133	0.4
177.12755	1.7
181.97910	1.0
187.07649	0.8
187.11206	5.8
188.07280	0.5
200.92799	0.4
205.04872	1.1
205.08606	5.1
205.12247	19.0
205.15533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03955	0.8
55.05511	1.0
57.03442	0.6
57.07076	1.4
65.03943	1.4
66.49727	0.4
67.05500	2.3
69.03423	3.8
69.07075	1.4
69.41669	1.2
69.42062	1.0
71.04990	3.4
74.74992	0.4
79.05495	4.5
81.07053	6.4
81.07500	0.7
83.04970	0.7
85.02888	0.4
85.06544	0.6
85.08427	0.4
91.05479	11.3
93.07040	5.0
94.12765	0.4
95.04953	2.0
95.08615	1.1
97.02892	0.8
97.06532	4.7
99.04461	4.0
103.05479	1.2
105.07027	23.2
107.04962	1.6
107.08578	4.1
107.09174	0.4
109.06515	28.0
111.04477	0.9
115.05455	1.4
116.06255	0.7
116.97598	0.4
117.07018	9.6
117.07805	0.7
119.04931	8.2
119.08571	5.8
119.18186	0.4
119.97935	0.4
121.02888	1.4
121.04003	0.6
121.06508	3.8
121.10152	1.7
123.08098	0.5
124.00326	0.4
125.07345	0.4
128.06242	1.8
129.06989	3.3
130.07791	9.2
131.08565	10.6
133.10133	1.8
135.08064	1.5
135.11755	1.1
141.07002	0.9
141.69781	0.4
143.08563	5.9
144.09319	4.6
145.06474	1.6
145.10120	100.0
146.10704	1.0
147.04407	18.3
147.08073	1.2
149.02335	11.5
149.05954	1.2
154.07771	1.1
157.10101	1.7
158.07269	0.7
159.08063	1.5
159.11694	30.8
161.09657	0.9
161.13206	0.9
163.07536	1.9
163.11147	3.3
168.60307	0.4
169.10112	3.4
172.08801	0.7
175.11240	0.6
177.12744	6.2
181.97789	0.5
187.11176	14.4
205.12231	41.2
206.12703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0451
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.30381	0.2
65.50956	0.2
71.34023	0.2
83.59344	0.2
96.97432	0.2
102.92010	0.2
104.05003	0.3
105.03391	0.7
129.19568	0.2
132.04434	2.6
133.02837	0.3
146.06041	0.2
150.02667	0.3
150.05527	1.2
160.03893	1.2
161.31662	0.2
178.05000	100.0
179.05357	0.9
180.05356	0.3
206.04497	49.3
207.04765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01876	11.0
56.96573	57.3
57.03440	19.5
59.11954	2.8
60.04533	100.0
61.02931	5.5
65.03950	4.5
67.05470	2.9
69.03430	15.8
70.47708	3.2
70.48010	2.8
71.01348	6.5
71.05015	6.3
73.02923	50.9
73.74291	2.8
74.06078	6.2
76.50476	2.8
81.03423	14.7
83.01347	3.0
84.04531	3.0
84.08152	4.0
84.96039	5.8
85.02905	12.2
87.04475	9.2
89.02374	3.5
95.04945	4.2
97.02909	18.6
97.96821	4.9
97.99198	31.5
98.23228	4.5
98.97593	52.3
99.04475	5.2
101.02408	13.0
102.05531	4.6
107.04970	15.0
109.02904	28.0
109.52025	4.7
110.03697	23.5
110.97584	28.2
111.04451	9.7
115.03945	18.1
116.00238	33.8
116.98636	20.7
118.52612	5.1
119.01888	4.5
121.02944	3.0
123.04428	4.2
127.03967	5.2
128.98616	32.0
129.01894	5.0
132.04488	2.9
134.01277	25.9
134.56361	2.6
134.99669	7.9
135.04428	22.7
139.53137	5.9
141.02028	6.3
142.06857	4.6
143.00203	4.9
146.08025	3.2
146.99670	18.4
147.04379	14.1
149.02353	6.2
150.02733	15.1
152.02341	2.8
152.07036	3.5
153.01804	4.1
155.00064	3.1
156.02640	3.8
157.01372	17.5
158.01262	3.6
158.99695	3.3
160.04385	3.1
161.01242	6.5
163.00615	2.8
165.03133	57.0
165.05394	3.6
165.53220	6.1
172.09036	2.7
173.01169	3.9
174.03662	65.4
174.53813	3.8
176.02335	5.2
177.00746	4.4
177.05476	3.5
178.05025	47.3
178.08624	4.0
182.99641	4.5
183.04161	3.8
185.01225	5.1
185.54469	17.3
188.02208	3.0
188.09157	3.4
189.00743	3.6
189.03934	4.1
189.05464	3.7
191.14273	3.0
194.54945	12.7
201.00786	13.3
206.04512	23.3
206.08087	6.1
206.10318	2.6
206.12103	4.1
209.01199	4.2
213.00769	3.2
219.01747	3.7
227.02269	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.95245	0.7
55.05511	2.2
57.03419	1.0
57.07066	1.0
59.04987	2.6
61.82478	0.8
67.05501	1.9
69.03427	3.7
69.07059	1.7
69.12783	2.7
69.13187	1.9
71.04972	2.1
77.23284	0.7
79.05486	1.9
81.07062	4.2
83.04965	2.5
84.08141	1.4
85.02875	0.9
85.34815	0.7
90.34985	0.7
91.05499	5.7
93.07044	6.1
95.04974	1.9
95.08613	5.3
97.06539	2.4
98.23084	4.6
105.07030	11.7
107.04948	1.1
107.08598	10.7
109.06518	6.7
109.10150	2.5
111.08035	1.0
119.04956	1.3
119.08575	12.1
121.06503	4.1
121.10147	8.8
123.08087	11.7
123.11704	2.9
131.08571	2.8
133.06508	2.7
133.10117	3.4
135.08049	3.5
135.11702	1.0
137.09630	11.1
143.08560	1.7
145.10126	2.3
147.04346	0.9
147.08054	4.0
147.11690	11.3
148.57129	0.8
149.09627	100.0
151.07552	2.7
153.09163	1.0
156.09360	3.5
159.11699	1.3
160.08997	0.9
161.09648	2.4
161.13255	11.2
163.11172	2.9
165.09216	1.2
165.12724	4.9
171.11713	6.0
174.10429	3.0
177.12747	1.6
179.14340	0.9
184.74504	0.8
189.12756	23.9
207.13812	58.7
207.18541	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	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01878	2.7
55.05513	9.1
57.03441	3.3
57.07084	12.0
59.05011	5.5
67.05509	7.3
69.03432	2.7
69.07076	9.6
69.42372	5.0
69.42783	7.6
71.04997	3.8
79.05495	3.8
81.07063	9.4
83.04993	11.4
85.02913	13.3
85.06556	2.8
91.05482	7.8
93.07048	9.9
95.04984	7.4
95.08624	13.9
97.06554	11.6
99.04479	4.4
100.08441	2.0
103.05511	2.5
105.07032	19.3
107.08613	19.4
108.05795	3.0
109.06536	39.2
109.10189	5.4
111.08106	11.8
113.55219	2.2
119.04967	3.8
119.08607	25.0
121.06477	5.4
121.10165	29.7
123.08089	100.0
123.11722	9.6
125.06049	3.0
125.09605	2.1
131.08592	6.1
133.06500	5.5
133.10150	9.7
135.08109	4.3
137.05927	4.2
137.09636	17.1
137.13229	2.6
139.11258	10.3
145.10167	4.1
147.08049	13.6
147.11708	32.4
149.09618	28.6
151.07556	25.4
156.09370	5.1
159.08049	3.8
161.09688	4.9
161.13249	14.4
163.11240	6.5
165.09158	2.9
165.11403	1.6
165.12764	48.1
171.11720	9.5
174.10472	13.2
175.03903	2.8
189.12756	43.5
207.06519	2.4
207.13832	54.1
225.78993	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05515	1.4
56.74578	1.0
57.07074	2.2
67.05497	5.3
69.03413	1.9
69.07078	2.3
69.41242	4.5
79.05489	3.2
81.07058	12.9
83.08630	1.4
84.08167	1.2
85.02905	100.0
85.06546	1.2
91.05483	2.6
93.07038	3.5
95.04957	1.3
95.08627	4.7
105.07050	8.4
107.08597	7.3
109.06525	3.4
109.10159	15.4
111.04504	1.2
119.08583	9.0
121.06500	1.0
121.10155	12.4
123.08063	3.8
123.11707	71.3
125.05968	10.2
126.72784	0.9
131.08565	3.3
133.06448	1.4
133.10147	1.1
135.08040	1.1
137.05991	0.9
137.09642	1.3
139.07462	1.2
141.05499	1.7
145.10136	4.0
147.08092	4.5
147.11697	12.9
149.09616	16.2
151.07564	5.5
156.09317	1.4
161.09595	1.2
161.13264	1.7
163.11116	1.9
165.12762	2.4
171.11661	1.5
174.10419	1.7
179.14360	1.4
189.12717	10.6
207.13802	52.1
219.18225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05505	5.0
57.07073	5.4
58.21504	1.5
67.05502	22.6
69.03424	4.5
69.07079	3.5
79.05497	5.8
81.07059	3.3
83.04979	3.9
85.06553	10.1
91.05475	8.2
93.07047	13.0
95.04988	3.3
95.08604	100.0
97.06521	2.1
105.07044	13.1
106.88128	2.0
107.08580	17.6
108.50841	1.6
109.06538	5.8
109.10137	2.8
113.06002	6.0
119.08575	22.5
121.06511	2.5
121.10139	15.1
123.08067	47.0
123.11686	7.4
131.08597	5.1
133.06464	3.1
133.10158	4.3
135.08035	2.8
135.11656	4.7
137.09607	3.9
137.13274	1.9
147.08041	5.4
147.11682	14.0
149.09618	72.5
151.14790	3.2
156.09335	3.5
159.08076	1.8
160.08705	2.0
161.13286	17.7
163.11194	3.5
165.12747	13.6
171.11707	5.4
174.10402	3.5
179.14334	3.2
189.12755	21.3
203.79112	1.8
207.13802	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01868	1.4
55.05505	5.1
57.07074	2.0
59.05002	6.2
66.03694	0.9
67.05502	4.0
68.18508	0.7
69.03424	6.6
69.07059	2.2
69.48366	3.7
71.04996	3.6
79.05495	6.8
81.06617	1.6
81.07059	15.9
83.04993	9.7
83.08605	2.1
84.08152	1.5
85.02888	1.3
85.06541	2.9
91.05486	7.6
93.07045	6.2
95.04974	7.2
95.08609	10.8
97.06531	2.2
97.10239	1.0
98.23209	3.3
99.08054	1.1
103.05453	0.9
105.07041	15.0
107.04974	1.7
107.08606	22.9
109.06528	100.0
109.10167	3.0
111.04462	1.5
111.08065	2.5
112.76596	0.8
117.07000	2.0
119.04971	2.1
119.08596	15.7
121.06525	5.7
121.10151	12.1
123.08076	37.4
123.11726	3.4
125.06014	0.9
125.09605	1.0
128.06200	1.3
129.07028	1.4
130.07770	1.1
131.08574	9.1
133.06479	3.2
133.10136	3.6
135.08047	3.0
137.06001	1.4
137.09668	5.2
137.13268	1.2
143.08580	2.1
145.10114	4.7
147.08043	5.6
147.11685	19.0
149.09624	29.0
151.07558	32.8
156.09375	4.6
159.08012	1.2
160.08875	1.1
161.09639	4.1
161.13277	7.0
163.11217	5.1
165.09122	2.2
165.12772	11.2
171.11690	6.5
174.10445	2.6
175.03912	1.7
179.14427	1.1
189.09154	1.1
189.12749	17.9
207.06622	1.0
207.13818	35.8
207.18440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.15802	1.1
55.05509	4.6
56.55975	1.3
57.03423	1.1
59.04993	3.5
64.52201	1.1
65.52636	1.1
67.05498	4.6
69.03439	9.3
69.07080	5.8
70.08689	3.4
71.04987	4.2
79.05509	7.0
81.07068	9.8
83.04976	3.1
85.02887	1.3
91.05493	16.0
93.07059	14.0
95.04971	3.1
95.08620	9.0
97.06526	3.6
98.22794	1.4
98.23281	1.3
99.04446	2.0
99.49621	1.2
105.07045	53.2
107.08603	18.8
109.05865	1.2
109.06543	14.3
109.10182	5.3
111.08080	2.4
113.06037	1.5
116.06252	1.3
117.06952	1.3
119.04945	9.3
119.08597	33.1
121.06519	3.9
121.10159	22.9
123.08080	16.5
123.11713	4.8
129.07022	2.4
129.89061	1.1
131.08589	11.7
133.06500	11.5
133.10153	10.7
135.11720	1.8
137.06006	1.6
137.09615	5.9
139.07570	2.0
141.07021	1.6
142.07780	1.6
143.08566	8.5
145.10135	7.1
147.08054	12.8
147.11694	28.7
149.09637	77.0
151.07561	42.9
156.09387	17.0
159.11693	2.6
161.09673	1.8
161.13284	30.0
163.11185	5.4
163.23538	1.1
164.01436	1.2
165.12811	7.0
171.11703	21.5
174.10388	3.3
175.03868	1.0
179.14314	1.6
189.12773	48.3
207.06511	1.7
207.13826	100.0
208.14067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.31171	2.6
54.91664	2.9
55.05498	9.3
57.07056	3.2
57.39788	3.1
67.05504	16.9
69.03427	14.3
69.07056	6.2
69.38740	2.9
71.04982	12.4
71.44372	2.9
73.02898	3.3
79.05488	11.5
81.07058	15.3
83.04965	7.0
85.02895	9.1
85.06553	3.5
91.05482	29.5
93.07038	16.7
95.04959	7.0
95.08603	18.0
97.06544	7.6
99.04452	4.2
105.07030	36.2
107.08578	24.5
109.06516	24.2
109.10138	22.1
111.04462	3.3
111.08093	3.3
117.07013	4.0
119.04927	13.3
119.08582	47.1
121.06480	4.7
121.10147	49.3
123.08083	22.4
123.11694	11.1
125.05985	3.4
129.07011	5.6
131.08559	23.1
133.06483	10.6
133.10132	16.0
135.11713	5.8
137.05946	6.4
137.09612	15.0
137.13266	3.3
139.11195	5.7
143.08563	3.3
145.10094	12.4
147.04393	7.7
147.08063	27.8
147.11679	46.2
149.09618	83.2
151.07539	60.7
156.09315	10.5
161.09576	8.4
161.13251	22.1
163.11142	12.5
165.12752	17.3
165.96648	3.5
171.11688	20.3
174.10364	6.0
175.03889	8.7
179.14319	4.5
183.97650	5.0
189.12740	77.0
207.06442	6.0
207.08243	4.7
207.13785	100.0
208.67964	3.0
215.18405	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	208.0718
Annotation	Methyl 5-hydroxy-2-benzimidazole carbamate
Peak:m/z	Relative Intensity
55.73031	0.3
69.03434	0.4
75.07787	0.3
80.05013	0.9
81.07013	0.3
86.05164	0.3
93.07133	0.3
97.02876	0.4
108.04476	0.4
109.06515	0.5
110.06010	0.3
120.08061	0.4
121.02818	0.3
133.02849	0.7
134.04782	0.4
148.05043	3.4
150.03178	0.5
151.04941	0.4
176.04555	100.0
177.01823	1.4
177.04881	0.7
178.91600	0.4
181.04973	0.4
190.08736	0.7
191.03374	0.4
194.02028	0.6
208.07178	29.4
208.09557	1.5
209.04497	1.5
209.07587	0.5
214.91969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0444
Annotation	Fraxetin
Peak:m/z	Relative Intensity
53.03943	0.3
55.01870	0.4
55.05507	0.8
59.05000	0.4
65.03930	0.8
66.04724	0.3
67.05495	1.1
67.22315	0.3
69.03439	0.5
69.07054	0.8
69.11802	1.5
69.12203	0.6
71.04994	0.7
77.29504	0.4
79.05487	2.4
81.03421	0.6
81.07047	1.9
82.04195	1.3
83.04962	0.7
85.06530	0.8
91.05480	1.7
93.03388	2.1
93.07062	1.7
94.04179	0.9
95.04984	2.5
95.05499	0.5
95.08607	1.1
97.06531	1.2
98.23422	0.8
99.04449	0.5
99.08101	0.9
102.72372	0.3
105.03381	1.3
105.07009	1.0
107.04946	1.5
107.08585	2.7
109.02850	0.7
109.06523	1.7
109.10128	0.5
110.03660	3.1
110.06870	0.9
111.08081	0.5
113.06074	0.3
119.08575	0.8
120.02084	0.9
121.02867	13.2
121.06488	0.8
121.10114	2.2
122.03642	0.4
123.08044	1.0
125.05981	1.4
125.09586	0.5
127.07535	0.3
128.79645	0.4
131.08562	0.8
133.02864	3.2
133.10133	1.1
133.64615	0.3
135.04346	0.5
135.08052	0.6
135.11720	0.5
137.02351	3.7
137.05948	0.5
137.09599	0.6
138.03122	9.2
139.07523	0.5
145.10129	1.0
148.01591	1.0
149.02333	10.5
149.05940	0.7
149.09570	1.1
149.13243	0.6
150.03119	21.2
150.09995	0.6
151.07602	0.8
151.11208	1.1
152.07884	0.8
152.48363	0.3
153.05421	2.5
153.09081	0.9
163.07622	0.4
163.11189	1.1
163.14896	0.4
165.01750	0.6
165.05487	3.1
166.02626	9.3
167.07040	1.1
173.09933	0.3
173.13214	0.9
177.01825	28.2
181.01439	0.6
181.04958	9.1
181.06578	0.5
190.13078	0.6
191.03481	1.7
191.10660	0.4
191.14323	1.5
194.02106	35.6
208.14137	0.9
209.04448	100.0
209.15369	3.4
210.04796	1.1
229.96484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.85883	0.7
51.08191	0.7
53.03934	1.6
54.61438	0.7
55.01872	6.8
55.05257	0.9
55.05511	15.0
57.03425	3.1
57.07065	2.4
59.04995	1.6
65.03932	1.7
67.05499	17.8
68.99774	0.9
69.03430	12.7
69.07068	7.4
69.58940	0.9
69.59280	2.6
71.04986	8.5
78.36095	0.7
79.05491	28.5
81.03423	0.9
81.07054	30.9
82.06587	4.8
83.04977	9.0
83.08614	8.3
85.06544	9.1
87.38074	0.8
91.05473	16.8
93.07043	56.8
95.04964	23.1
95.08601	8.4
97.06525	15.1
97.10198	1.0
99.04455	11.8
99.08080	1.7
100.11254	15.7
103.05461	1.4
105.04520	1.5
105.07028	41.9
107.04976	5.1
107.08589	64.9
109.06516	41.4
109.10160	11.4
110.06024	2.1
111.04441	1.1
111.08066	3.4
113.06001	3.6
115.03913	0.8
115.05430	1.6
117.07010	11.0
119.06060	1.0
119.08583	31.0
120.77145	0.8
121.05611	1.3
121.06502	28.0
121.10138	38.4
123.08060	7.8
123.11732	2.2
125.05990	1.8
125.09611	2.0
127.07555	2.0
127.08675	1.2
129.06926	0.9
130.07797	4.9
131.08553	9.7
133.06462	1.1
133.10130	21.7
135.08051	32.6
135.11690	20.0
136.08760	0.9
137.09634	1.0
139.07545	2.1
139.08675	2.3
139.11183	3.2
139.89044	0.7
143.08560	1.6
145.10118	45.2
147.07996	1.1
147.11702	6.8
148.08810	1.2
149.05991	1.8
149.09616	15.1
149.13272	5.0
151.07504	1.5
151.11176	3.2
153.09105	8.3
155.08554	0.8
158.07207	1.0
158.10887	1.1
163.11172	100.0
163.14874	3.6
167.10640	1.4
167.14362	1.7
173.09619	8.5
173.13243	9.0
181.12227	3.3
182.15353	1.5
191.10657	36.2
191.14296	16.2
194.02109	1.1
209.04431	2.2
209.11720	23.7
209.15060	14.0
226.06735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03950	1.8
53.76997	1.5
55.01879	2.0
55.05510	100.0
57.03429	3.0
57.07079	2.9
59.05007	9.4
59.13831	1.7
65.03934	1.5
67.05499	11.3
69.03419	5.1
69.07065	9.0
69.63944	4.8
69.64288	2.9
71.04979	5.3
74.57877	1.5
79.05487	8.3
81.07050	15.8
82.06569	15.3
83.04472	1.8
83.04980	55.3
83.08617	65.8
84.08130	6.6
85.06515	2.4
87.76627	1.5
88.36505	1.5
89.06027	2.7
91.05481	5.5
93.03394	3.0
93.07045	24.1
95.04967	33.5
95.08609	9.8
95.09117	1.8
97.06541	10.4
97.10178	7.1
99.04454	6.7
99.08072	2.0
100.11250	52.4
103.07571	3.7
105.03374	2.0
105.07023	7.9
107.04964	2.1
107.08592	33.3
109.06522	15.5
109.10152	25.4
110.03690	1.8
110.06051	10.7
111.04419	1.5
111.08089	11.6
113.09676	2.8
119.08576	4.3
121.02874	4.2
121.06522	2.2
121.10141	61.0
123.08076	10.5
123.11703	11.4
125.09610	13.6
127.08682	6.2
131.08542	2.3
133.02844	17.3
133.10126	13.0
135.08089	2.5
135.11690	4.0
136.86218	1.6
137.06131	1.6
137.09618	2.9
138.03116	2.8
139.08641	10.4
149.02354	2.6
149.13264	8.9
150.03098	12.4
151.11176	44.6
151.12411	2.3
153.05418	2.0
153.09079	12.8
163.03914	2.3
163.14835	11.3
165.05484	2.2
166.02638	2.8
167.14310	68.8
173.13255	6.7
177.01807	36.6
181.04939	10.7
191.03387	12.6
191.14249	12.3
194.02112	3.5
200.45895	1.7
209.04430	23.5
209.15259	23.4
209.16623	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05510	4.8
57.07078	3.2
58.07767	1.1
59.04996	3.7
63.28413	1.0
67.05508	6.7
69.03430	5.0
69.07066	17.4
71.04994	2.9
71.46547	1.2
79.05492	23.4
79.77945	1.1
81.07056	48.1
83.04981	1.8
83.08624	1.2
91.05490	9.8
93.07043	10.6
95.03944	1.0
95.04982	3.4
95.08607	6.8
97.06533	5.2
99.61495	1.2
105.07036	12.4
107.04970	1.5
107.08591	100.0
109.06519	54.6
109.10150	11.1
111.11746	3.5
111.59014	1.1
115.05470	1.8
115.07564	3.0
117.07066	2.1
119.06065	2.0
119.08589	4.0
121.06564	1.9
121.10134	28.1
122.07300	3.9
123.08091	6.3
123.11789	1.2
125.09572	1.2
131.08551	6.1
133.10126	65.7
135.08043	24.7
135.11717	3.1
137.09605	46.7
139.11246	1.1
141.16711	1.2
145.10129	2.6
147.11655	2.6
149.09685	2.7
149.13254	12.9
151.11182	3.4
153.09123	2.4
163.11186	2.0
163.14807	10.2
173.13246	9.0
174.21127	1.1
191.14296	26.6
193.39243	0.9
209.04437	2.3
209.15363	13.7
222.09810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
55.01880	0.5
55.05508	0.7
57.03416	0.5
57.07090	3.8
59.04996	0.7
67.05507	3.8
69.03436	0.9
69.07084	1.8
70.68722	0.7
71.04987	2.9
79.05489	3.6
81.07064	4.7
83.04990	1.5
83.08614	0.8
85.06548	0.9
91.05495	3.9
93.07042	5.6
95.04984	4.2
95.08615	4.7
97.06522	1.5
105.07048	4.1
107.08595	8.9
109.06528	100.0
109.10170	13.0
110.06902	0.7
111.08087	1.8
115.05430	0.7
117.07018	1.0
119.06107	0.6
119.08556	2.6
121.06525	1.0
121.10148	3.2
123.08076	9.5
129.07063	0.8
131.08595	7.1
133.10149	4.1
135.08067	27.4
135.11687	1.2
139.11198	1.1
145.10089	3.0
147.08000	0.7
147.11699	5.9
148.08878	0.6
149.09633	4.5
149.13257	3.9
150.10428	0.9
151.11208	0.5
153.09103	3.3
158.10938	1.2
161.09584	0.8
163.11226	1.4
163.14806	0.8
167.10789	0.6
173.13268	7.5
176.11966	0.6
191.14323	32.7
195.33347	0.6
209.15382	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	0.8
55.05518	30.0
57.03465	0.7
57.07087	1.8
57.53780	0.5
59.05005	1.6
67.05502	4.0
69.03436	1.9
69.07079	7.6
69.33482	2.0
71.05003	2.6
72.60408	0.5
79.05499	7.7
81.07070	6.6
82.01637	0.6
83.04990	28.7
83.08125	1.0
83.08626	19.6
85.06553	1.6
91.05499	5.2
93.07056	25.4
95.04978	21.6
95.08619	7.3
97.06522	4.4
97.10195	4.7
99.04450	4.7
99.08110	0.7
105.07027	5.3
107.08604	34.1
109.06537	10.0
109.10168	12.9
109.66725	0.7
111.08091	3.6
113.09640	0.9
115.07559	1.2
119.06071	0.9
119.08610	4.7
121.10157	100.0
122.10419	0.7
123.08101	1.8
123.11730	5.5
125.09631	4.5
131.08598	1.8
133.10159	8.2
135.08072	1.9
135.11691	3.4
145.10143	1.0
147.11697	1.6
149.13292	4.3
151.11195	21.5
153.09099	8.1
163.14844	20.8
167.14330	30.7
168.47272	0.7
169.44502	0.6
173.13278	4.2
191.14334	10.1
196.00978	0.6
209.04445	0.8
209.15381	29.1
217.72021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
51.47244	1.2
55.01886	1.7
55.05497	3.8
57.07074	4.1
58.77784	1.2
59.64418	1.1
67.05502	7.0
69.03431	3.0
69.07062	4.2
69.21296	6.5
71.04983	3.1
79.05498	7.9
81.07053	11.7
83.04982	2.4
83.08616	3.0
85.06523	2.0
91.05478	5.6
93.07053	11.9
95.04956	4.9
95.08613	7.1
97.06516	3.1
101.65322	1.2
105.07030	8.7
107.08597	17.6
109.06522	100.0
109.10143	13.7
117.07048	2.7
119.08559	3.5
121.06484	4.1
121.10176	7.6
122.07175	1.2
123.08068	8.9
123.11767	1.1
125.05992	1.4
131.08588	7.0
133.10109	12.3
135.08057	25.8
135.11696	3.0
137.02306	1.8
137.09621	5.1
145.10120	4.9
147.11693	4.1
149.02441	1.3
149.06004	1.5
149.09616	4.3
149.13278	4.3
150.03099	2.3
150.10429	2.3
151.11176	2.4
153.09117	4.7
163.11179	4.7
163.14787	2.2
165.12752	3.3
169.83269	1.1
173.09619	1.6
173.13213	7.8
177.01888	2.4
181.04982	1.4
191.10719	2.5
191.14333	28.2
194.02142	4.7
209.04420	13.6
209.11781	2.2
209.15411	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.31879	1.7
53.03952	2.1
55.01871	6.9
55.05507	13.6
57.03431	7.5
57.07075	8.2
59.05016	3.0
59.22062	1.7
60.13513	1.7
67.05501	13.9
69.03442	9.0
69.07067	54.7
69.07449	2.7
69.76436	3.3
71.04992	23.8
77.03949	2.3
79.05492	20.5
81.03442	2.0
81.07055	29.7
83.04984	11.9
83.08616	9.3
85.06539	13.6
91.05477	21.5
93.07048	44.0
93.08131	1.5
95.04984	12.6
95.08606	22.2
97.06519	14.1
99.04459	8.2
105.07037	31.7
107.04951	2.8
107.08592	55.1
109.06523	46.5
109.10173	22.7
111.08099	8.1
111.11713	4.1
114.74538	2.1
115.05419	2.4
117.07027	8.5
119.08576	15.1
121.06507	34.7
121.10133	40.9
123.08063	12.5
123.11703	4.3
125.09623	17.8
127.11227	3.8
130.07834	3.9
131.08543	12.6
133.10132	18.4
135.08057	45.2
135.11687	15.1
137.09608	4.1
138.10399	2.1
139.07655	2.5
139.11183	8.3
143.08574	3.9
145.10132	24.8
147.11688	50.9
149.09601	27.1
149.13263	25.0
151.11212	6.4
153.07057	1.7
153.09111	14.2
158.10913	3.6
161.09639	8.3
163.11182	52.9
163.14842	5.7
165.12811	3.6
167.14337	2.0
173.09702	2.8
173.13280	23.9
191.09061	1.9
191.10631	11.5
191.14304	100.0
209.04385	2.3
209.06139	1.9
209.11935	8.7
209.15358	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.01899	1.8
55.05511	14.2
57.03438	3.7
57.07079	3.3
59.04993	3.7
64.79388	0.7
64.86383	0.7
65.03957	1.0
66.35249	0.7
67.05505	11.8
69.03440	3.9
69.07069	7.9
69.24154	3.6
71.04984	5.8
79.05490	17.9
81.03457	0.8
81.07056	38.7
82.06578	5.1
83.04968	6.0
83.08614	10.6
85.06536	4.3
91.05479	12.6
93.07041	27.2
95.04964	29.2
95.08601	12.3
97.06528	23.4
99.04462	7.5
99.08103	1.8
100.11255	13.9
105.07029	26.5
105.07738	1.5
107.07852	0.7
107.08590	31.4
109.06516	100.0
109.10148	23.4
110.06058	1.9
110.06778	0.7
111.08078	5.5
113.05997	1.7
113.09704	1.5
114.16373	0.7
117.07003	4.1
119.08573	12.2
121.06503	9.1
121.10141	30.8
123.08064	8.2
123.11688	2.8
125.06023	0.9
125.09643	3.3
127.07555	0.9
127.08648	0.9
128.07098	0.7
129.06981	0.9
130.07770	1.4
131.08566	16.8
133.10126	59.6
135.07060	1.0
135.08060	19.4
135.11662	6.8
137.09601	1.6
138.36678	0.6
139.07648	0.8
139.08641	2.3
139.11139	1.4
143.08505	2.9
145.10120	19.1
147.08063	1.4
147.11670	6.5
149.08664	0.7
149.09622	7.2
149.13263	8.5
151.11201	5.7
153.09100	20.0
157.09761	0.8
158.10863	3.4
161.13228	1.3
163.07555	1.0
163.11185	25.7
163.14819	5.4
165.12743	1.1
167.14299	3.5
171.11546	0.7
173.09573	2.2
173.13251	25.7
179.14214	2.1
182.15292	2.5
191.10658	9.1
191.14310	29.8
202.88573	0.6
209.04335	2.3
209.11890	5.0
209.15219	31.0
210.14801	1.1
218.61127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31121	14.1
65.04320	12.9
67.14046	13.9
69.80392	15.2
69.80742	38.7
71.58534	11.6
80.27678	11.7
81.28976	13.2
98.22878	33.3
98.23418	15.1
110.97677	15.4
114.65385	12.8
120.94563	26.9
145.98988	19.0
210.94051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39181	9.8
69.03438	19.2
70.41387	23.6
83.04982	19.4
85.02934	12.4
94.93006	30.0
95.04974	17.3
97.02869	18.7
98.97542	25.2
111.04503	17.6
116.29347	13.8
119.01820	11.8
120.94598	18.5
128.98648	16.2
129.05530	11.7
135.42645	10.3
147.06476	12.2
164.65695	9.8
166.58865	10.6
210.94101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.01878	2.7
55.05513	7.8
56.96561	4.0
57.03439	1.8
57.07065	1.1
59.04990	3.9
61.60658	1.0
67.05496	8.1
69.03430	29.4
69.07070	6.9
69.79926	1.0
71.04991	20.7
72.08174	1.0
79.05496	9.9
81.03413	3.2
81.07054	20.5
83.04980	22.8
83.08612	2.2
84.96016	1.4
85.02871	2.0
85.06550	2.7
91.05482	10.3
93.07048	19.2
95.04968	27.0
95.08604	12.2
97.02901	1.4
97.06528	6.7
97.99191	1.2
98.97554	1.2
99.04453	58.9
99.08097	1.5
103.05448	1.2
105.04510	1.1
105.07036	11.6
107.04929	1.6
107.08598	7.9
109.06516	33.4
109.10164	8.2
111.08098	6.6
113.05989	7.5
115.03962	1.2
119.05074	1.1
119.06033	2.1
119.08586	7.2
121.10143	41.8
122.74759	1.1
123.04445	3.2
123.08066	10.8
123.11700	2.6
125.09620	6.6
127.03870	2.0
127.07561	2.9
131.08522	1.6
133.06477	2.4
133.10124	7.5
135.08031	8.3
137.02374	1.3
137.05971	8.5
137.09615	4.2
137.13338	1.3
139.07533	2.7
139.11176	66.1
146.08412	1.1
147.11688	6.1
149.09648	1.2
151.03993	1.1
151.07568	4.6
151.11180	9.2
153.09114	32.0
155.07030	100.0
157.10124	1.3
165.09117	3.2
165.12749	3.5
167.07053	5.8
169.08691	1.3
169.12222	13.7
175.11180	14.1
179.07074	2.1
179.10905	1.0
181.08679	1.1
193.12228	18.9
211.02484	1.7
211.09659	6.5
211.13248	25.6
211.15112	2.0
212.11923	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03930	2.7
53.13955	1.2
55.01863	4.3
55.05509	39.6
56.96566	17.4
57.03440	10.4
57.07074	2.9
59.04978	2.0
59.87110	1.2
63.36348	1.1
65.03928	1.8
67.05159	2.3
67.05502	32.3
69.03424	12.5
69.07069	11.7
69.36002	3.7
69.36393	2.1
71.04993	8.4
79.05036	2.4
79.05490	35.2
81.03416	100.0
81.06573	1.5
81.07057	41.2
83.04980	51.7
83.08617	35.3
84.96045	3.7
85.02920	2.4
85.06544	4.3
85.75089	1.5
91.05481	37.7
93.07047	22.3
95.04967	39.6
95.08605	15.0
97.02888	3.2
97.06534	6.0
97.10149	9.8
97.99186	6.5
98.22733	2.9
99.08083	1.4
105.07025	27.5
107.04958	9.5
107.08590	10.6
109.06504	8.3
109.10178	5.9
111.04443	1.8
111.08083	15.0
115.05457	1.6
116.00205	2.5
117.07018	2.3
119.04883	1.9
119.08575	24.9
121.06467	3.0
121.10142	11.8
123.08067	4.7
123.11687	2.9
125.09596	3.9
127.07463	1.2
128.06232	1.3
129.06976	10.5
131.08563	13.8
133.06458	3.8
133.10126	16.9
135.11690	2.2
137.09592	4.4
141.07021	1.2
142.07773	4.8
145.10051	1.7
147.08061	3.0
147.11662	16.5
149.09604	9.7
151.11200	1.5
157.10117	18.3
165.07144	1.4
165.12778	3.6
167.10675	2.3
175.11191	23.6
193.06451	3.8
193.12238	51.8
211.11079	2.1
211.13266	24.6
211.15071	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05515	16.0
57.03446	5.6
57.07074	5.9
59.04995	9.5
60.57983	1.9
61.54082	1.8
64.40506	1.9
67.05510	24.6
67.31570	1.9
69.03388	2.8
69.07072	22.0
69.44559	9.1
71.04995	38.9
79.05484	11.5
81.03399	3.6
81.07061	40.0
83.04987	3.5
83.08615	13.5
85.06547	7.5
91.05462	10.1
93.07049	25.6
95.04961	4.9
95.08611	100.0
97.06536	19.1
97.10192	3.8
99.04454	12.3
99.08084	7.3
105.07031	12.9
107.08586	39.6
109.06517	7.5
109.10167	28.6
110.06885	2.2
111.08084	3.2
112.57441	1.8
113.09632	2.2
115.07585	17.1
119.08576	27.2
120.74467	1.9
121.10147	16.2
122.38686	2.3
123.08074	4.7
123.11714	38.2
125.09648	6.8
127.07507	2.1
133.10138	33.1
135.11694	68.2
137.09622	11.7
139.11150	3.8
141.12732	3.0
147.11682	5.3
149.13229	10.1
151.11165	4.1
153.12750	11.9
155.10670	3.8
163.14813	9.6
175.14838	45.9
181.15906	2.9
193.15926	27.6
211.14934	4.4
211.16925	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01872	5.7
55.05508	10.2
56.48951	0.9
56.96548	2.0
57.03428	3.1
57.07059	2.0
59.04985	3.8
66.86764	0.8
67.05163	1.2
67.05501	15.5
69.06712	2.0
69.07065	24.1
70.61632	1.4
71.04633	1.4
71.04990	19.2
79.05484	6.2
81.07048	15.5
83.04980	3.9
83.08610	3.9
83.26376	0.9
85.06540	43.1
91.05469	6.6
93.07045	29.3
95.04967	2.3
95.08601	27.5
97.01534	0.9
97.06509	3.4
97.10190	1.1
99.08096	19.8
101.06003	1.6
105.07028	6.1
107.08588	47.7
109.06540	1.8
109.10152	75.3
111.08086	5.3
111.11735	2.0
113.05991	5.7
114.25899	0.8
119.08577	20.0
120.09343	1.1
121.10130	7.8
123.11694	11.9
125.09628	1.6
127.11190	6.0
131.08505	1.1
133.10121	16.0
135.11685	100.0
137.09633	5.7
139.11130	3.4
147.11681	3.4
149.13249	23.9
151.11201	1.5
151.14796	7.7
153.12737	62.5
154.13127	1.0
167.14314	4.6
175.14813	29.3
193.15895	6.2
211.16927	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01862	1.0
55.05505	3.5
56.96565	3.0
57.03432	1.9
57.07076	2.0
59.04988	0.7
63.71221	0.6
67.05500	5.5
69.03442	2.4
69.07063	12.8
69.44731	2.8
71.04990	48.5
79.05492	3.0
81.03406	2.4
81.07047	9.7
83.04961	0.7
83.08618	2.9
85.06532	6.8
91.05470	1.8
93.07038	12.5
95.04964	2.3
95.08601	22.4
97.06527	7.4
97.10177	2.1
97.99168	1.3
99.04450	100.0
99.08083	2.5
105.07027	3.8
107.08585	15.2
109.06499	1.0
109.10147	17.0
111.08089	0.9
113.09640	13.4
115.07568	8.0
119.08582	7.7
121.10133	5.0
123.08051	2.1
123.11697	7.9
125.09634	8.3
127.07578	0.7
127.11209	1.7
133.10129	8.9
135.11685	42.5
135.59258	0.6
137.09624	3.0
139.10159	0.5
139.11182	2.4
141.09097	2.6
141.12741	4.9
143.10661	0.8
147.11685	1.7
149.13239	3.4
151.11172	0.8
151.14824	7.8
153.12749	6.6
155.10655	0.7
165.12749	0.8
165.16408	1.1
169.15894	1.9
175.11195	0.9
175.14806	12.4
177.12810	0.6
193.15895	7.5
211.16924	35.6
228.75037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.6
55.01875	3.3
55.05515	30.8
56.80822	1.7
56.96568	6.5
57.03448	9.0
57.07079	4.8
59.05012	2.5
67.05512	38.9
69.03437	6.6
69.07078	21.0
69.86829	4.5
70.53864	1.4
71.05000	9.9
71.07929	1.4
71.08669	2.2
79.04350	1.4
79.05499	16.2
81.03422	29.0
81.07064	41.4
83.04990	20.7
83.08619	19.0
84.96061	2.2
85.06547	9.3
85.26671	1.3
91.05478	17.0
93.07056	25.5
95.04965	11.5
95.08611	64.7
97.06537	11.3
97.10198	4.7
97.99217	2.7
98.23150	3.9
99.04450	10.6
99.08116	4.7
102.28885	1.3
105.04563	1.7
105.07037	22.8
105.17162	1.2
107.07950	1.1
107.08595	32.4
107.09254	2.5
109.06522	13.1
109.10168	100.0
111.08096	43.7
111.08836	2.8
113.06036	2.1
113.09708	1.5
115.07596	3.0
117.07047	2.1
119.08591	43.8
119.09418	2.6
121.09367	2.8
121.10168	25.2
123.08080	43.5
123.11726	14.6
125.09631	7.0
127.07578	2.1
127.11180	2.5
129.07022	3.8
131.08585	5.8
133.10136	42.7
135.11703	50.2
137.09627	94.7
137.13277	4.9
138.10406	8.2
139.11227	3.2
145.10143	2.4
147.11697	10.6
149.09677	5.8
149.13252	15.7
151.11192	7.6
151.14857	8.4
153.12823	1.8
157.10129	3.2
158.23535	1.4
165.12755	9.8
165.16406	4.3
175.11247	6.4
175.14830	55.2
193.12291	13.6
193.15912	44.7
211.13408	7.4
211.14923	1.7
211.16936	33.3
225.65331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01881	4.1
55.05521	19.7
57.03435	9.1
57.07067	2.8
57.35081	2.3
61.85788	2.4
62.27476	2.5
66.04707	2.5
67.05164	3.6
67.05513	74.0
69.07070	25.8
71.05000	7.6
79.05504	32.6
81.07063	100.0
83.04970	8.9
83.08630	18.2
85.06549	6.7
88.07639	10.5
91.05492	22.3
93.07050	58.1
94.23030	2.9
95.04968	6.3
95.08620	30.6
96.08945	2.8
97.06536	15.0
97.10162	3.8
98.97575	7.5
99.08068	2.8
105.07044	9.1
107.08598	28.4
109.10175	8.0
111.08066	9.4
116.98619	7.7
117.07029	9.4
119.08623	7.8
121.10158	16.0
123.11700	4.9
131.08566	11.4
133.10130	16.5
135.08044	4.0
135.11713	21.4
149.13260	39.8
157.10120	4.3
159.11702	16.9
177.12749	11.2
190.03915	4.2
195.13797	12.4
195.15399	2.5
213.12706	4.6
213.16393	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01870	3.7
55.05513	40.7
56.96569	1.2
57.03422	3.3
57.07074	9.9
59.05012	3.9
62.44844	1.2
67.05506	18.8
67.36195	1.5
69.03433	2.0
69.07069	100.0
71.04996	14.4
71.08623	2.5
71.46309	1.3
74.37093	1.2
79.05488	15.8
81.07059	49.0
83.04977	8.9
83.08617	17.3
85.06546	35.9
88.07639	1.8
88.68586	1.3
91.05470	10.2
91.98850	1.4
93.07047	30.4
95.08610	76.2
97.06548	10.6
97.10181	17.6
98.97551	2.0
99.08097	27.2
105.07001	8.7
106.99754	1.6
107.08598	97.2
109.06528	4.3
109.10159	29.3
111.08084	5.7
111.11721	12.4
113.09663	13.4
115.05487	2.7
116.98589	1.5
117.07026	3.7
119.06049	1.6
121.10147	62.7
123.11678	9.2
125.09627	11.0
127.11196	1.8
135.08058	38.3
135.11685	32.7
137.13255	33.4
139.11165	14.4
149.13277	7.3
151.14870	5.1
153.09105	5.0
153.12764	10.2
163.07561	4.7
177.16388	79.2
195.17432	16.1
213.12718	2.4
213.16432	2.6
213.18520	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	214.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16130	0.3
55.05504	4.4
56.05041	0.5
57.58076	0.4
61.74913	0.4
63.69085	0.3
67.05502	1.6
69.07070	0.5
69.10634	2.9
70.06594	17.4
71.05005	0.7
74.02439	100.0
76.36700	0.4
78.39658	0.4
79.05497	1.5
80.05004	0.7
81.07047	5.1
82.06579	4.7
83.08610	5.0
86.06088	0.5
88.03971	0.5
88.07613	2.4
96.08102	0.8
97.08919	3.1
97.52444	0.4
98.09709	0.4
98.22713	0.9
99.04440	1.8
107.08597	0.5
108.08106	5.7
110.09676	14.4
112.11249	0.7
116.07088	47.7
124.11234	2.5
126.12778	0.5
127.30592	0.4
128.10715	1.5
132.06735	0.4
150.12778	1.5
154.08632	2.2
156.10205	10.9
163.71053	0.5
168.13904	1.6
191.00687	0.4
196.13383	3.0
197.09132	0.4
214.14366	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	216.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.7
56.05033	0.5
57.07090	0.8
60.04544	1.1
64.96570	0.4
67.05515	0.5
69.07064	2.2
69.60831	1.2
70.06599	17.9
71.05003	1.0
74.02448	100.0
76.63535	0.4
79.05501	0.4
83.04986	1.9
83.08622	1.9
84.08179	0.4
85.10189	4.2
86.19086	0.4
88.04001	10.9
88.07636	2.3
89.06051	0.4
98.23044	1.3
99.04455	2.4
100.11274	0.6
101.06038	0.9
110.09692	4.0
111.04459	3.0
112.11272	0.9
113.06052	0.5
116.07104	54.1
126.12829	3.3
129.05472	0.6
138.87407	0.4
152.14340	1.0
155.07033	3.4
156.10205	2.6
158.11784	15.3
170.15419	1.2
173.08115	2.5
198.14938	3.9
216.15965	11.2
217.10721	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	216.1596
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01856	0.5
55.05515	0.5
56.56397	0.2
57.07076	1.2
59.50649	0.2
60.04497	0.2
61.02916	0.5
70.83459	0.4
73.02925	0.7
73.34510	0.2
83.04971	0.7
86.06079	1.1
86.09705	100.0
87.10031	0.4
89.06045	0.5
101.06031	0.7
105.52345	0.2
111.04430	0.7
116.10728	0.9
128.10715	51.3
129.11038	0.3
132.85532	0.3
138.36414	0.3
139.01830	0.5
142.12277	0.3
155.07024	0.7
159.04642	0.2
164.72893	0.2
170.11757	59.2
171.12079	0.4
173.08063	0.9
174.14906	7.7
216.15942	2.7
217.10681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37392	51.9
93.12703	14.7
121.16483	14.9
123.20877	15.1
123.62284	16.9
219.02666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03413	1.7
58.48947	1.0
60.68504	0.9
67.05518	1.1
69.43084	3.3
78.75690	0.9
83.04969	1.1
91.05495	7.4
98.23548	1.1
98.97581	1.2
103.05463	2.2
105.07050	1.7
107.04935	1.1
109.10139	1.0
115.05451	8.5
116.06221	2.6
117.06998	2.6
119.08603	0.9
128.06218	8.5
129.07004	37.5
130.07773	2.0
131.04919	9.0
131.08574	34.6
133.06493	1.1
133.10123	1.1
137.05980	3.8
137.09714	1.0
140.06305	1.1
141.05893	1.8
141.06989	30.3
143.04932	1.2
143.08585	2.2
144.05701	5.3
145.06499	7.1
146.07289	5.2
148.05283	1.1
152.30458	1.0
157.06480	19.4
157.07642	2.2
158.07266	20.8
159.04375	3.0
159.08069	25.1
160.05173	5.5
161.06047	0.9
161.09598	5.2
163.07549	2.0
168.05693	1.0
169.06470	13.0
169.07674	2.4
170.07266	6.8
171.08000	1.0
172.94260	1.5
173.05997	3.7
173.09628	1.5
174.06766	68.6
175.07506	10.0
177.09221	1.1
183.07983	1.0
186.06769	16.8
187.07477	2.9
188.08263	3.5
189.09105	86.8
191.10651	8.1
201.09102	37.7
203.14308	1.3
219.10150	100.0
219.17349	5.3
220.10463	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05508	1.4
57.03429	1.2
67.05496	1.0
69.41402	1.8
69.41777	1.8
71.04996	1.5
79.05499	0.8
81.07045	2.5
83.04966	1.2
91.05482	10.9
93.07042	1.5
95.08603	1.1
103.05484	1.9
105.07014	4.4
107.08572	1.9
109.10137	1.2
115.05441	7.7
116.06215	2.2
117.07001	2.7
119.08589	1.9
121.10134	1.8
128.06201	5.7
129.07001	30.4
129.07982	1.6
130.07860	1.7
131.04941	6.0
131.08568	32.5
133.10153	6.6
137.05942	2.8
141.06985	28.0
143.04901	2.0
143.08589	1.7
144.05692	4.8
145.06491	5.7
145.10114	2.7
146.07240	4.9
148.05121	1.0
153.07077	0.9
155.06056	1.3
156.05762	1.0
157.06479	16.8
158.07272	16.0
159.04439	2.1
159.08060	17.7
159.11678	2.4
160.05173	3.4
161.06116	1.1
161.09573	2.9
163.07561	1.7
168.05646	0.8
169.06461	10.7
169.07712	1.8
170.07271	6.3
171.08055	0.9
173.05959	2.8
173.09564	1.5
173.13196	1.5
174.06763	60.2
175.07524	10.1
185.06044	1.1
186.06754	14.4
187.07468	1.9
188.08319	3.9
189.09099	81.2
191.07001	0.9
191.10674	6.8
201.09100	31.7
203.14304	1.2
219.10149	100.0
219.17366	8.5
220.10532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1183
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
54.21575	0.6
55.01886	1.2
55.05511	0.8
57.07081	6.3
59.05009	5.2
61.02951	0.6
67.05512	4.8
69.07079	5.7
70.02959	6.6
70.74489	0.6
72.04527	15.0
73.02930	3.4
74.02449	1.4
75.04481	0.8
76.04823	0.8
83.04997	1.4
85.06552	12.1
86.09713	2.2
87.04485	0.5
87.08124	1.8
88.48402	0.7
90.05566	100.0
95.04978	6.8
96.08142	2.7
98.02428	17.1
98.14481	0.7
98.23129	0.7
98.97614	0.7
100.04005	3.1
103.03968	1.2
103.07593	7.7
104.04333	1.1
112.87160	0.6
113.06030	2.8
115.69541	0.7
116.03468	15.4
123.09673	0.6
124.07612	18.5
131.07053	0.8
134.23727	0.6
142.08633	6.9
156.10280	0.8
158.11775	4.0
160.03255	2.1
160.09706	2.4
166.08676	2.4
174.05559	1.2
174.11261	3.2
184.09721	21.0
202.10767	31.3
205.15956	2.6
220.11807	39.2
220.17822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.57950	0.2
57.51546	0.2
60.78956	0.3
69.25388	1.3
75.99281	0.2
81.07040	0.3
83.54848	0.2
91.05500	0.4
105.07014	0.3
118.06551	7.5
119.07362	0.4
121.06525	0.5
132.08113	1.7
133.08882	0.9
134.09650	0.6
146.09613	1.9
149.05980	0.4
162.09161	4.3
176.10786	3.0
176.14357	22.0
177.05484	1.9
177.11520	1.2
190.12294	2.4
192.10236	1.2
201.53368	0.3
202.15903	0.8
205.15895	0.7
220.16971	100.0
221.17342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26014	0.4
52.18550	0.4
55.01879	48.7
57.07069	1.2
59.01361	0.5
59.05001	0.8
71.04996	0.6
71.44033	0.4
73.02925	100.0
76.09361	0.4
81.07075	0.7
87.04478	78.4
87.66682	0.4
89.02381	0.6
91.04006	0.4
91.05469	0.6
93.07069	0.7
101.05985	0.5
105.05516	21.1
105.07043	0.7
119.08592	0.6
120.08089	0.6
123.09045	0.4
130.06543	7.5
132.04497	1.3
137.05984	0.7
148.07571	2.6
158.06010	2.9
161.04535	3.6
161.05898	0.8
171.03093	0.4
174.62643	0.5
175.08701	1.0
176.07080	6.6
192.05754	0.4
221.04413	0.8
221.09477	0.5
221.11909	0.7
222.07509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Fokienol
Peak:m/z	Relative Intensity
55.05507	5.9
67.05502	4.2
69.07076	9.3
69.28175	15.0
69.35104	3.4
70.31210	3.0
71.05000	22.7
79.05503	13.1
81.07059	100.0
87.73052	3.7
91.05498	8.1
93.07047	37.4
95.08598	26.1
98.22755	6.8
99.08088	3.5
105.07024	30.5
107.08586	46.6
109.10159	25.7
119.08580	76.6
123.11719	10.9
127.11240	13.2
130.84344	3.4
133.10150	13.4
135.11687	90.5
147.11699	21.9
149.13275	9.0
161.13284	8.4
195.64944	3.7
203.17970	36.9
221.18983	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.87080	1.3
55.05522	9.7
57.07064	5.0
67.05507	8.7
69.07070	12.5
71.04994	28.4
73.06548	2.0
79.05490	15.3
81.07056	100.0
83.08620	2.8
85.06543	2.2
91.05481	10.2
91.33338	1.2
93.07044	42.8
95.04961	2.0
95.08020	2.3
95.08604	31.0
97.06508	3.0
97.10173	4.0
98.97569	5.7
99.08118	6.3
105.07030	40.0
107.08591	56.5
109.10157	31.8
111.08000	1.8
111.11700	3.6
113.09665	2.9
116.98605	3.7
117.07008	2.9
119.08582	80.3
121.10144	9.1
123.11695	17.1
127.11176	12.0
131.08583	1.6
133.10129	22.4
134.99654	1.7
135.11691	97.0
137.09637	2.6
137.13254	2.3
147.10577	1.9
147.11688	26.8
149.13251	11.5
158.01221	1.7
161.09573	1.3
161.13271	11.7
163.14813	4.5
175.14824	4.3
177.16385	3.1
203.17961	48.1
221.15512	2.3
221.18994	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1904
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.37677	1.9
53.03949	2.9
55.05510	6.5
56.96566	3.9
57.07069	6.8
59.05003	3.1
63.43048	1.8
67.05506	11.1
67.83755	1.8
69.07087	10.5
70.03479	5.8
71.05004	19.5
73.06573	2.0
77.03903	2.1
79.05501	15.9
81.07063	100.0
83.08637	2.6
85.02906	5.9
87.04472	2.3
91.05475	11.9
93.07048	36.3
95.08612	36.3
97.06521	4.4
98.22771	2.2
98.97565	10.8
99.08123	3.5
105.03411	3.9
105.07035	37.2
107.04992	2.3
107.08602	40.8
109.06541	4.0
109.10164	28.3
111.11770	2.0
113.09609	2.2
116.98608	7.6
119.08588	54.6
121.06547	3.9
121.10125	10.0
123.11713	22.5
127.11205	9.2
131.08578	2.9
133.02876	3.8
133.10146	16.2
134.03619	3.2
134.99638	5.4
135.11703	69.6
137.05933	2.6
137.09605	24.3
137.13237	2.3
145.10121	2.3
147.04410	4.5
147.11700	21.2
149.13252	10.8
150.03139	17.4
159.11684	3.5
161.09648	4.9
161.13280	14.7
163.07570	7.4
163.14792	3.9
165.01788	2.4
165.05510	42.2
165.06787	1.5
175.14732	4.9
177.12756	12.5
177.16412	3.3
178.02641	5.3
180.97902	3.5
192.94806	2.3
193.04982	89.6
194.05443	2.1
197.95561	2.0
198.98915	3.7
203.08354	1.9
203.17978	32.9
206.16206	1.9
218.77980	2.0
221.04430	32.9
221.11594	4.8
221.15408	7.9
221.18958	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	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
55.01868	9.2
55.05506	8.6
57.07081	3.1
58.17045	2.8
60.50828	2.8
63.63500	2.6
65.03939	3.3
67.05498	23.7
69.03427	17.7
69.07051	16.2
69.53096	12.1
70.06597	4.5
71.04980	5.9
79.01844	4.2
79.05492	26.7
81.03410	5.2
81.07061	35.4
83.04989	9.1
83.08600	4.2
85.02894	2.8
85.06533	3.9
91.05482	12.8
93.03400	8.8
93.07049	42.0
95.04968	6.1
95.08603	30.2
97.02904	25.4
97.06517	4.0
98.22694	2.9
98.97594	8.6
98.98492	6.0
105.07043	20.1
107.04941	5.7
107.08593	48.3
107.78979	2.9
109.06518	9.5
109.10155	19.7
111.08083	3.1
116.98592	4.2
117.07027	5.8
119.08575	15.2
121.02839	3.6
121.06528	11.3
121.10143	30.5
122.10925	6.8
123.08096	7.7
123.11711	10.0
125.02354	93.7
125.09644	4.1
127.54303	3.1
131.08577	12.5
133.10132	8.0
135.04411	19.0
135.08051	8.7
135.11690	18.9
137.09618	6.8
139.03912	41.2
139.11188	4.3
144.09380	3.2
145.10132	14.8
147.08055	5.4
149.02328	19.9
149.05978	7.1
149.09604	7.6
149.13263	10.8
153.05461	100.0
153.12805	3.3
159.11678	27.0
161.13240	6.3
163.07562	3.3
163.11168	13.4
163.14838	12.8
165.09103	8.3
167.04730	5.1
167.07027	9.3
177.12730	53.0
177.16463	3.3
181.12222	21.4
187.11206	5.6
187.14783	6.5
191.03455	3.5
195.02846	3.9
205.12234	17.3
205.15906	8.1
223.02338	6.2
223.11115	3.8
223.13232	37.0
223.16937	11.1
239.77693	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01871	3.8
55.05501	8.8
61.91684	2.1
67.05507	6.7
69.03424	8.7
69.07067	6.3
70.52394	4.9
77.03928	2.8
79.05485	8.3
81.03413	4.6
81.07056	10.5
83.04993	17.0
85.02905	8.0
85.06534	5.1
91.05479	15.6
93.07045	25.9
95.04980	16.5
95.08623	8.6
97.06551	2.6
97.10183	2.4
98.23351	2.8
98.97556	2.3
99.04430	2.1
105.07030	14.8
107.04991	2.5
107.08577	15.2
109.06529	47.7
109.10152	7.3
111.08067	8.2
113.06006	14.4
117.07021	6.7
119.08582	20.7
121.06505	41.1
121.10166	13.1
122.07280	2.8
123.04406	2.9
123.08060	8.3
125.09650	2.9
127.25971	2.3
130.07785	2.7
131.08588	5.1
133.10141	17.2
135.08051	29.5
135.11687	8.6
137.09630	13.3
139.07527	6.7
143.08519	3.6
144.09334	2.3
145.10126	11.2
147.08081	5.4
149.02368	7.7
149.05989	2.7
149.09619	100.0
149.13234	2.9
151.11183	6.7
153.09152	5.9
159.11742	14.4
161.09615	22.5
163.11186	20.1
165.09114	14.1
167.07047	5.8
172.08733	3.9
175.11142	3.4
177.12755	18.0
179.10677	29.5
181.12259	2.4
187.11156	18.9
193.12173	3.5
205.12238	34.1
205.14082	3.3
223.13287	42.4
232.20065	2.3
242.82193	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.65186	1.3
53.03951	2.0
55.05513	14.0
57.03417	1.6
58.82969	1.4
62.81556	1.4
65.44196	1.4
67.05490	1.5
67.26846	1.5
67.87645	1.3
69.03434	5.5
69.45415	1.5
69.45676	2.6
69.46064	3.5
70.58566	1.3
71.05000	4.0
79.05497	8.6
81.07070	7.3
83.04980	12.8
83.08623	66.1
85.02914	4.6
91.05499	7.8
93.07049	7.1
95.05019	2.2
95.08617	10.6
97.02892	32.0
97.06516	2.3
98.22734	2.4
99.04463	6.6
105.07035	7.3
107.08598	100.0
109.06526	3.3
109.10177	3.7
111.08107	2.6
117.07055	2.1
119.08571	21.5
121.06527	2.1
121.10168	16.2
123.08080	7.0
125.06017	7.3
125.09630	67.8
131.08597	1.8
133.86024	1.6
135.08043	1.9
135.11670	11.0
137.09598	7.5
139.07564	2.9
144.09334	1.6
145.10126	7.0
147.08043	12.1
153.12718	9.2
159.11697	15.8
163.11192	33.2
165.09122	13.1
177.12730	7.8
181.12236	36.9
181.13786	2.2
187.11195	4.8
191.10796	1.7
205.12233	19.9
223.13289	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	21.8
55.14290	9.6
57.03413	23.8
57.76670	9.3
58.02959	14.0
64.76754	8.8
70.50625	18.9
71.01353	13.1
71.61362	8.6
73.02901	28.4
85.02875	12.9
87.04445	17.1
87.65404	8.7
88.83479	8.0
89.17641	8.5
96.98954	9.9
101.02357	31.8
111.00848	8.7
115.03908	66.5
129.01842	100.0
133.05017	11.9
143.03397	41.8
146.04482	17.4
157.01349	47.1
161.04465	88.9
189.03963	77.6
193.65556	8.8
207.04993	10.9
224.07596	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	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	6.8
60.95853	1.2
60.98828	1.2
63.80527	1.2
70.66555	3.1
82.99851	2.4
84.69626	1.5
84.96026	11.0
98.97589	22.9
101.00874	30.4
104.68372	1.4
106.96566	1.3
107.11915	1.4
116.98615	11.9
119.01919	100.0
124.02471	5.1
130.93246	1.6
134.99673	4.7
137.02965	21.1
142.03503	53.6
143.01988	1.6
158.99872	3.6
160.04539	15.4
161.02951	24.2
161.04253	1.8
162.97459	1.4
165.93044	1.3
177.00932	26.0
177.02470	1.7
178.01085	3.2
178.99860	1.8
179.04019	35.3
182.99658	7.5
184.04602	4.6
187.52335	1.3
190.49568	4.4
199.50052	4.7
201.00681	7.8
202.05618	3.8
202.95383	1.9
211.00946	1.6
217.04195	2.4
219.01999	27.8
220.02113	5.3
225.00981	1.8
238.95612	3.0
243.02005	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01846	0.7
55.05507	0.5
65.03946	2.5
67.05495	1.3
69.03431	0.5
69.07072	0.7
69.66747	0.3
71.05002	0.8
71.46684	0.4
76.03153	0.5
77.03918	1.1
79.05492	0.8
81.02402	0.3
81.07076	1.0
83.05001	0.5
83.08620	1.0
83.55735	0.4
84.48231	0.3
85.02902	0.5
85.06530	0.6
89.03912	1.2
90.04698	0.5
91.05478	44.0
92.05794	0.7
93.07049	1.1
95.04967	1.9
95.08614	1.5
97.02883	0.4
97.06539	0.8
99.04449	2.5
101.03896	1.0
103.05458	1.9
104.02646	0.7
105.03372	0.9
105.07034	1.2
107.04952	1.3
107.08595	1.5
108.05784	0.4
109.06527	0.9
109.10166	1.9
111.08039	0.4
117.03366	0.8
118.04156	4.8
119.04940	52.6
119.08596	0.7
120.05254	0.8
121.02851	1.3
121.06488	0.5
121.10159	1.2
123.04382	0.5
123.08089	1.6
123.11716	0.5
129.03368	1.0
131.04958	1.0
132.02057	3.5
133.02867	1.2
135.04433	1.8
136.05205	1.8
137.09608	0.4
139.11212	0.6
145.02861	1.6
146.03635	1.5
147.04402	41.2
147.11673	1.1
148.04832	0.4
149.02335	6.6
149.09581	0.7
151.07564	0.6
153.05435	0.9
157.03970	5.4
161.13290	0.5
162.03102	1.0
163.03929	1.8
164.04703	5.7
165.12804	0.6
167.10690	1.1
171.11586	0.4
174.03102	1.6
175.03899	71.6
176.04297	1.2
177.01802	2.3
179.07011	5.2
181.08582	0.6
183.06508	0.8
183.13805	0.5
189.12730	0.9
192.04167	23.1
193.04617	0.6
196.42729	0.3
207.06514	100.0
208.06882	1.3
210.97380	0.4
225.07449	0.5
225.14774	0.7
225.19595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0761
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01884	0.6
55.05522	0.8
65.03947	2.0
67.05496	0.6
69.03434	0.8
69.32406	1.4
69.32791	1.1
71.05010	1.6
73.48938	0.6
77.03950	0.8
79.05519	1.1
79.07355	0.5
81.07056	1.4
83.08624	1.5
85.06577	0.6
87.93753	0.5
89.03946	1.4
89.52293	0.5
91.05490	40.5
93.07056	1.4
94.19304	0.5
95.04985	1.4
95.08619	0.9
97.02879	0.7
98.22860	1.5
99.04472	2.8
101.03943	0.6
103.05474	1.6
105.07027	0.6
107.04936	0.8
107.08593	2.1
108.05769	0.6
109.06514	1.0
109.10167	0.8
117.03412	1.0
118.04159	4.8
119.04955	44.4
119.08617	0.8
121.02870	1.5
121.06467	1.0
121.10143	0.6
123.04431	0.9
123.08091	1.7
123.11732	0.7
129.03372	1.4
129.04382	0.5
132.02071	3.6
133.02869	1.1
135.04440	0.9
136.05214	1.5
137.05992	0.9
137.09598	0.7
145.02861	1.2
146.03619	1.6
147.04417	37.7
147.11684	0.7
148.04808	0.5
149.02356	6.0
149.03452	0.8
149.09660	1.2
153.05478	0.8
157.03979	5.6
163.03955	0.6
164.04678	4.3
165.12764	0.9
171.11740	0.6
174.03174	1.4
175.03923	68.3
176.04353	0.8
177.01846	2.7
179.07066	4.1
181.08569	0.7
183.06590	0.8
183.13750	0.6
189.12784	1.0
192.04182	20.5
193.04820	0.9
207.06541	100.0
208.06953	1.3
225.07646	1.0
225.14824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1126
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
55.01867	2.9
55.05516	16.5
57.03443	1.8
57.13890	1.6
59.04975	2.2
63.19220	1.8
67.05512	23.2
69.03441	11.2
69.07079	6.6
69.30411	1.5
70.99591	1.8
71.05004	14.1
77.03967	2.4
79.05504	21.7
81.07074	15.8
83.04990	24.4
83.08621	4.3
85.02911	1.9
89.80525	2.0
91.05485	20.7
93.07050	13.6
95.04969	13.3
95.08630	14.5
97.02882	9.2
97.06546	11.8
98.38436	1.6
99.00780	1.8
99.04472	16.7
105.04474	1.9
105.07036	25.7
107.04964	24.6
107.08597	15.2
109.06524	17.8
109.10168	45.0
111.04461	15.3
111.08096	3.7
117.07043	2.6
119.04936	4.1
119.08598	22.3
121.06516	8.6
121.10153	14.4
123.04409	2.5
123.08070	19.8
123.11706	3.6
125.06002	8.5
125.09676	2.4
128.06255	7.3
129.07014	6.4
131.08571	4.1
133.06572	2.6
133.10132	19.2
135.08069	4.7
135.11673	2.6
137.05988	2.8
137.09630	56.4
139.11215	1.9
143.07057	1.7
143.08600	16.2
145.06436	1.9
145.10077	4.6
146.07298	6.0
147.04407	2.2
147.08061	28.8
147.11726	7.6
149.09630	10.4
151.07605	5.7
151.11194	5.3
161.09630	100.0
161.13283	4.8
163.11208	6.8
165.09142	52.1
165.12775	4.9
167.10695	4.1
169.08635	2.1
171.08041	2.5
174.06836	2.1
175.03999	3.2
175.92067	1.6
179.10754	14.7
179.14326	4.1
181.12248	5.0
183.13870	1.9
189.09100	10.9
189.12784	5.2
192.37086	1.8
207.06581	7.5
207.10204	14.8
207.13881	10.1
215.52989	1.9
225.11243	18.1
225.14749	11.2
225.19478	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.16998	2.0
50.72680	2.0
55.01866	2.8
55.05510	6.3
57.03429	2.1
57.07070	3.2
59.04996	5.5
63.13570	2.4
65.92978	2.2
66.92741	2.2
67.05480	10.3
69.03433	5.6
69.07058	12.3
71.01345	2.4
71.04632	3.7
71.04993	43.9
79.05487	9.2
81.07055	22.4
83.04989	13.0
83.08619	11.3
85.02909	7.7
85.06545	4.4
85.88249	2.2
87.04474	2.9
91.05470	14.9
93.07033	18.6
93.21864	2.1
95.04989	11.2
95.05517	2.2
95.08620	18.9
97.06524	20.4
99.04453	63.5
99.05078	4.3
99.08096	7.5
102.70606	2.0
105.07024	21.4
107.04940	4.0
107.08589	38.2
109.06513	40.5
109.10162	25.2
111.08083	6.1
111.11687	3.9
113.06030	3.3
113.09660	3.7
119.04930	3.9
119.08592	24.1
121.06509	5.0
121.10134	47.9
123.08071	35.4
123.11700	19.6
125.05988	3.4
125.09630	8.6
127.07597	4.9
131.08563	13.0
133.06465	2.4
133.10141	5.1
135.08044	2.8
135.11691	4.4
136.05243	3.6
137.06007	5.8
137.09613	29.9
137.13275	4.5
139.11182	5.4
141.09135	2.5
143.08540	3.0
145.10132	6.1
147.08029	10.7
147.11693	22.9
149.09618	100.0
150.09978	2.3
151.07523	20.8
151.11188	3.8
156.09328	5.6
161.09616	4.6
161.13300	15.6
163.11166	8.7
165.05461	3.4
165.09122	2.6
165.12761	18.5
167.10718	19.3
171.11665	8.7
174.10439	3.1
179.07062	15.2
179.10689	3.9
179.14296	9.4
183.13805	35.8
189.09111	2.8
189.12750	42.6
207.10059	2.5
207.13808	30.4
225.04074	2.6
225.07478	3.5
225.14833	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	225.1488
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
50.96364	1.6
53.03940	1.8
53.74199	1.7
55.01874	1.9
55.05512	6.1
57.03444	2.1
57.07074	4.9
58.49963	1.9
67.05513	9.9
68.21369	1.7
69.03442	3.7
69.07078	6.0
69.18755	3.8
69.19164	7.1
71.04998	25.2
79.05515	9.1
81.07081	11.6
83.04994	5.4
83.08627	7.6
85.02915	4.3
85.06574	3.0
87.04435	1.8
91.05503	11.6
91.08084	1.7
93.07069	14.8
95.04977	2.8
95.08617	11.2
97.06555	12.0
98.22894	7.1
99.04473	21.9
99.08113	2.7
105.07051	20.9
107.08607	21.6
109.06511	12.1
109.10166	17.2
111.08108	2.8
119.08592	21.2
121.06535	4.7
121.10156	40.3
123.08092	15.9
123.11729	9.3
125.09652	5.2
131.08583	6.5
133.06538	2.7
133.10139	7.9
135.08109	2.1
135.11713	3.6
137.06017	4.1
137.09642	28.0
137.13243	4.1
139.11211	2.6
143.08598	2.4
145.10146	3.8
147.08090	4.0
147.11711	15.7
149.09637	100.0
151.07567	7.5
155.10641	2.2
156.09326	4.2
159.07947	2.3
161.09592	3.2
161.13249	9.4
163.11240	4.6
165.12790	13.3
167.10719	9.3
171.11717	7.7
179.07079	8.7
179.14304	2.9
183.13806	12.1
189.12781	25.9
207.13834	17.1
225.07654	2.1
225.14827	14.4
232.93828	1.8
245.43375	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	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01870	0.6
55.05509	2.6
57.03425	1.0
57.07067	1.0
59.04995	1.0
63.37724	0.3
67.05507	5.1
67.61640	0.3
69.03430	1.7
69.07057	1.1
69.59409	0.3
71.04993	1.6
79.05489	3.8
81.03410	0.8
81.07053	5.1
83.04980	16.9
83.08616	1.0
85.02885	0.5
85.06538	2.2
91.05482	3.0
91.40532	0.3
93.07053	4.9
95.04973	3.2
95.08607	8.6
96.37846	0.3
97.02872	0.4
97.06542	4.2
99.04462	0.9
99.08099	4.8
105.07028	5.4
107.04951	1.1
107.08591	6.8
109.06520	17.6
109.10144	4.3
111.04446	9.0
111.08065	0.6
119.05013	0.5
119.08581	5.4
121.06522	3.9
121.10149	10.7
123.08067	100.0
123.11699	1.1
123.72901	0.4
124.08385	0.8
125.05998	5.7
125.09624	3.0
127.07547	1.0
130.00682	0.3
130.07759	0.3
131.08565	0.8
133.07536	0.3
133.10138	2.1
135.07997	0.5
135.11697	2.2
137.05954	0.5
137.09625	2.8
139.07568	0.6
139.11194	0.4
141.09174	0.7
143.08586	0.6
145.10136	2.8
147.08078	1.8
147.11690	2.6
149.09616	7.0
151.07547	3.4
151.11183	3.8
156.09319	0.6
161.09607	2.6
161.13239	1.8
163.11179	11.1
165.09059	1.8
165.12740	2.7
167.10681	6.0
169.08653	0.6
171.11700	1.3
179.10718	0.7
181.12201	2.7
189.12759	1.5
207.10191	0.9
207.13811	5.8
225.11304	1.7
225.14815	7.4
241.68839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05508	4.4
57.07061	2.4
57.09626	1.1
59.04995	2.2
61.38764	1.1
61.56355	1.0
67.05499	10.5
69.03435	3.0
69.07070	3.9
69.16461	6.4
71.04996	15.6
74.88297	1.2
75.62899	1.3
76.91982	1.3
79.05495	11.5
79.51955	1.1
81.07062	13.1
83.04979	3.5
83.08614	1.6
85.02894	6.1
85.06528	3.1
91.05472	11.1
93.07051	22.5
95.04964	5.6
95.08604	8.9
97.06542	4.7
97.10176	2.0
98.22591	2.3
99.04489	6.3
100.11288	1.1
101.95023	3.1
105.07033	26.2
107.08578	11.7
109.06522	9.2
109.10154	22.5
111.04431	2.1
111.08083	2.1
113.09605	1.3
117.07014	2.2
119.01901	1.6
119.04982	3.0
119.08582	27.3
121.10145	100.0
122.10549	1.5
123.08060	14.9
123.11720	6.4
125.09633	2.7
129.07022	1.8
131.08580	7.7
133.06531	2.3
133.07617	2.0
133.10135	9.3
133.10997	1.5
135.08066	1.5
135.11713	6.1
137.09618	25.6
137.13231	1.8
139.98820	1.3
141.06999	4.9
143.08553	2.1
145.10129	7.9
147.08060	10.8
147.11679	24.3
149.09619	90.7
151.07516	3.9
151.11182	2.8
156.09355	5.2
159.08032	1.8
159.11714	1.3
161.09608	3.5
161.13257	40.7
163.11234	3.9
165.09186	2.2
165.12770	7.2
167.10715	2.8
171.11678	10.3
174.10483	3.1
178.99782	1.7
179.14267	6.8
189.12737	42.9
197.06017	2.5
207.10455	1.3
207.13809	36.1
207.15518	1.6
225.05476	18.1
225.14684	9.5
225.16791	1.7
238.23137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
54.53005	1.1
55.05507	5.5
56.96693	1.0
59.37081	0.9
62.66085	1.1
67.05499	1.8
71.04993	38.7
72.18301	0.9
79.05492	3.0
81.07063	6.5
83.04979	2.2
83.08622	6.7
85.02909	3.0
85.92210	1.1
91.05480	2.9
93.07025	2.6
93.47907	1.0
95.04959	1.8
95.08611	5.5
97.06535	2.2
99.04455	100.0
105.07028	4.8
107.08590	32.3
109.06522	21.9
109.10160	2.5
113.09657	4.9
119.08565	5.7
121.10121	12.0
121.10892	1.4
123.08069	16.8
123.11718	11.6
125.05988	1.2
125.09617	6.7
131.08592	1.3
131.36095	1.1
133.10118	1.7
137.09602	2.0
137.13184	1.2
139.11183	3.8
141.12770	2.3
147.11674	3.9
149.09619	11.3
150.35162	1.2
161.09573	1.2
161.13235	1.8
165.12747	12.0
167.10669	29.6
179.14232	1.5
183.13800	32.2
189.12769	3.4
207.13747	3.2
225.14851	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.87796	1.1
55.05510	4.2
57.03463	1.1
57.07072	3.9
59.05025	2.8
67.05506	22.5
67.28793	1.1
69.03437	2.9
69.07070	2.2
70.00680	1.1
70.74068	1.7
71.04996	1.9
76.04010	1.1
79.05497	3.5
81.07060	5.1
83.04974	3.1
84.24342	1.4
85.02917	2.5
85.06552	10.0
91.05491	5.2
93.07047	7.6
95.04971	4.1
95.08604	100.0
97.06525	2.2
99.04475	1.9
102.20560	1.0
105.07039	7.8
107.08594	12.6
109.06532	4.2
109.10145	2.4
111.08077	1.4
113.06001	6.8
119.04917	1.4
119.08579	13.9
121.06507	2.2
121.10142	6.4
123.08070	33.7
123.11729	5.0
133.06537	1.5
133.10136	3.3
135.11685	12.0
137.09641	4.1
141.09111	3.0
145.10129	2.0
147.08055	2.0
147.11690	3.7
149.09610	17.9
151.07541	2.4
151.11188	3.7
151.14816	2.5
161.13264	7.9
163.11197	5.3
165.12790	3.7
168.10242	2.8
174.10446	1.5
179.14276	1.6
181.12181	1.2
189.12721	7.8
195.90793	1.2
207.13832	9.2
225.07361	3.6
225.14864	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	225.1485
Annotation	Annuionone A
Peak:m/z	Relative Intensity
52.42838	1.2
55.01860	1.5
55.05498	4.1
56.48792	1.1
57.07054	1.5
58.56416	1.1
67.05510	1.8
69.03404	2.1
69.07063	2.1
69.27656	5.2
71.04991	37.2
79.05483	5.5
81.07052	11.4
83.04971	4.7
83.08627	7.1
85.02902	50.4
87.04465	3.9
91.05479	5.7
93.07037	7.9
95.04954	2.6
95.08600	11.8
97.06541	2.1
99.04453	100.0
105.07022	8.3
106.87108	1.4
107.08591	63.7
109.06513	25.5
109.10141	1.8
110.79404	1.3
113.09628	3.9
119.08553	3.7
121.10134	36.8
123.08066	75.1
123.11697	32.1
125.05994	2.1
125.09634	24.5
131.08540	5.4
137.09615	1.5
137.13289	1.6
139.11180	17.8
141.12794	2.1
145.73438	1.3
147.11659	7.4
149.09621	36.7
149.10823	1.9
151.07516	3.2
165.12723	14.0
167.10670	42.5
183.13805	31.3
189.12758	5.0
207.13831	3.4
210.16931	1.5
225.14819	25.1
225.19620	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	225.1488
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05508	1.3
57.07068	1.5
59.44425	0.6
64.98711	0.6
67.05517	3.6
69.03446	0.9
69.07072	1.0
69.30868	1.4
69.31255	1.3
71.05006	1.1
79.05499	3.2
81.07067	19.9
83.05000	0.9
85.02914	100.0
85.29157	0.6
91.05501	1.4
93.07085	2.9
95.08606	5.0
98.22894	2.4
105.07055	2.7
107.08619	3.5
109.06536	1.3
109.10162	11.0
119.08598	3.4
121.06546	0.6
121.10158	7.1
123.08135	1.3
123.11719	75.4
124.12024	0.7
125.06010	6.7
125.09616	0.8
131.08582	1.0
133.10162	0.9
139.11224	0.6
145.10118	1.4
147.08076	2.6
147.11693	3.5
149.09645	6.9
151.07574	1.5
156.09419	0.7
159.88422	0.6
161.09657	1.2
161.13306	1.5
165.12794	1.0
167.10667	1.1
171.11728	1.0
173.52693	0.5
189.12750	4.7
191.66570	0.7
207.09665	0.7
207.13828	18.6
225.14784	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	227.1279
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
51.16926	0.8
55.01871	31.0
55.02143	1.7
55.05499	4.7
57.03434	1.7
57.07067	3.7
67.05507	10.7
69.03428	3.7
69.07065	18.6
70.73261	1.1
71.04985	6.6
79.05489	8.0
81.07056	10.5
83.04982	2.1
83.08665	0.8
84.73176	1.1
85.06544	16.3
91.05471	3.6
93.07046	11.5
95.04980	4.4
95.08607	23.1
95.09212	1.3
97.06527	16.2
99.04470	6.4
99.08067	1.5
100.11253	6.3
101.06033	1.0
105.07030	14.2
107.04946	2.8
107.08592	39.5
109.06515	8.2
109.10172	1.7
111.08063	1.4
111.11732	0.9
113.06008	5.5
115.07568	1.0
119.08569	3.3
121.06534	7.8
121.10147	12.8
123.07234	1.7
123.08065	14.5
125.05972	2.5
133.06476	1.8
133.84610	0.9
135.08029	2.0
135.11702	6.9
138.34483	1.0
139.11186	1.8
145.10143	9.5
145.65129	0.9
147.11748	1.4
149.09656	3.4
151.07545	14.1
153.12753	1.1
157.08548	1.4
163.09935	1.6
163.11183	19.8
167.10680	7.3
169.08604	100.0
173.09598	1.1
181.12244	11.6
191.10631	8.1
209.11708	6.0
227.06985	0.9
227.12706	8.1
227.17538	2.6
240.82407	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	227.1281
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
55.01878	28.5
55.05513	2.5
57.07071	3.1
65.08845	1.3
67.05516	10.9
69.03427	3.8
69.07077	15.9
69.89973	3.1
71.04984	5.1
79.05505	10.3
79.34565	1.1
81.07067	11.7
83.04968	1.5
85.06544	11.4
91.05475	3.8
93.07056	17.5
95.04962	4.0
95.08609	21.8
97.06535	15.5
98.23000	3.9
99.04446	6.6
100.11261	3.1
101.06051	1.7
105.07056	12.9
107.08604	41.4
109.06534	8.5
109.10143	1.7
111.08072	2.6
113.06023	5.4
117.07001	1.3
119.08575	4.2
121.06513	6.5
121.10152	15.0
123.08097	12.0
123.11607	1.7
135.11737	7.5
139.07561	2.0
139.11183	1.5
145.10139	7.7
149.09622	3.5
151.07567	11.8
163.11215	23.0
167.10672	5.8
169.08620	100.0
173.09679	1.4
173.92410	1.5
181.12259	17.3
185.13499	1.5
191.10686	5.7
209.11728	4.7
212.04280	1.6
227.12801	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01619	2.1
55.01875	33.6
55.05513	9.4
56.19876	1.0
57.03439	4.6
57.06830	1.3
57.07075	8.0
67.05511	24.6
69.03442	7.8
69.07076	25.7
71.05004	13.6
79.05502	18.9
81.06624	1.8
81.07065	22.5
83.04993	4.9
83.08621	4.9
85.06551	44.1
91.05479	10.0
93.07053	39.1
95.04412	1.7
95.04976	17.3
95.08617	23.8
97.06542	26.2
97.10165	1.6
98.22857	4.8
99.03811	1.6
99.04459	23.1
99.08103	3.3
100.11271	14.8
101.06005	1.1
105.07036	32.7
106.11933	1.0
107.04963	3.1
107.08602	64.8
109.06526	14.1
109.10170	3.7
111.08078	5.2
113.06013	15.1
114.09244	1.4
115.07590	1.9
117.07027	4.6
119.06014	1.0
119.08589	15.2
121.06521	17.8
121.10159	35.3
123.08079	16.0
123.11735	3.1
125.09658	2.3
127.07574	2.4
130.07770	2.3
131.08603	3.9
133.06497	1.7
133.10136	7.8
135.08070	7.7
135.11708	13.9
137.09621	1.5
139.07538	2.3
139.11208	4.8
140.83838	1.0
143.08694	1.2
143.10678	2.0
145.10139	26.0
145.33493	1.0
147.08212	1.2
147.11714	5.0
149.06038	1.1
149.09636	10.1
149.13283	4.3
151.07558	14.6
151.11205	4.1
153.09116	4.3
153.12801	1.1
163.11203	65.9
167.10703	19.8
168.13818	1.4
169.08620	100.0
170.08911	1.1
171.10216	2.4
173.09685	4.9
173.13306	3.7
181.12244	21.5
183.13852	1.8
185.11739	2.4
191.10677	36.4
191.14325	5.1
209.11729	21.0
209.15221	2.9
209.16896	1.4
227.12801	14.7
227.16475	16.3
227.19487	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	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
55.01872	32.3
55.05510	10.1
57.03433	2.0
57.07070	3.8
67.05508	13.3
69.03430	4.2
69.07065	46.1
69.75074	4.3
69.75442	1.1
71.04983	6.3
79.05495	9.9
81.07056	13.7
83.04977	4.5
83.08612	5.4
85.06543	22.2
91.05469	9.1
93.07045	20.8
95.04960	9.1
95.08607	25.6
97.06535	18.5
98.23441	2.0
99.04458	18.8
100.11269	4.8
101.06009	1.6
105.07030	13.0
107.04954	3.0
107.08591	34.8
109.06507	11.2
109.10147	3.9
111.08103	9.1
111.11708	11.7
113.06007	7.1
113.96342	1.4
115.07621	1.2
117.07020	1.6
119.08570	5.4
121.06512	7.6
121.10155	14.9
123.08066	14.9
125.05959	1.6
125.09631	2.9
127.07584	1.3
131.08569	1.4
133.06531	2.2
133.10121	2.5
135.08073	3.7
135.11688	5.9
139.11189	2.1
145.10130	11.2
147.11642	1.7
149.09615	5.2
151.07545	14.2
153.09111	5.6
161.13382	1.3
163.08946	1.1
163.11176	31.2
167.10645	8.4
169.08600	100.0
173.09630	2.9
181.12212	9.2
185.11693	3.6
191.10646	12.3
195.10155	6.1
197.15366	2.6
209.11726	7.6
209.15317	13.6
227.07025	2.5
227.10704	1.6
227.12619	6.9
227.17705	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	227.1279
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
55.01870	34.4
55.05512	4.3
57.03428	2.6
57.07074	6.8
64.30791	0.4
67.05503	17.9
68.14986	0.4
69.03419	3.9
69.07068	21.7
69.23223	2.1
71.04993	5.1
79.05490	12.4
81.07056	10.0
83.04993	2.4
83.08575	0.6
85.06541	35.9
87.52577	0.4
91.05479	6.5
92.38180	0.4
93.07044	23.9
95.04976	4.0
95.08604	23.6
95.09222	1.0
97.06532	24.3
99.04447	6.3
100.11240	2.3
101.06001	1.2
105.07027	17.8
107.04958	2.6
107.08591	52.3
108.08953	0.5
109.06518	10.3
109.10175	0.8
111.08089	4.1
111.11689	0.9
113.06001	13.1
113.96353	0.6
115.07587	0.8
117.06995	2.3
119.06060	0.8
119.08572	9.4
121.06512	12.3
121.10142	18.5
123.08064	16.7
125.05988	1.2
125.09624	0.5
127.07552	0.9
130.07771	1.3
131.07033	0.6
131.08551	1.7
133.06490	1.6
133.10089	0.5
135.08063	5.3
135.11688	8.8
137.09595	0.5
139.07536	1.3
139.08597	0.6
139.11185	2.4
143.07022	0.7
143.08557	0.9
145.10118	16.1
147.11671	1.7
149.09624	8.1
151.07538	14.1
153.05453	0.5
153.12767	0.8
157.08636	0.7
163.11179	41.7
164.11539	0.7
167.08418	0.6
167.10678	15.3
169.08600	100.0
170.08949	0.9
173.09657	2.8
181.12222	15.2
185.11699	2.5
187.77759	0.5
191.10666	18.1
209.11725	14.5
227.12766	9.4
227.17657	1.4
228.23238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.05512	14.3
57.03439	3.7
58.29985	1.1
67.05499	6.3
68.99786	14.3
69.03425	3.7
69.07070	5.6
71.05000	1.6
71.44732	1.7
79.05502	6.8
81.07056	18.5
83.04971	2.7
83.08124	1.9
83.08617	36.4
85.06542	2.2
85.10187	6.0
86.29747	1.1
91.05478	28.0
93.07054	10.6
95.04964	29.1
95.05527	2.1
95.08598	3.3
95.13605	1.1
97.06524	1.4
100.11226	6.9
101.02388	8.5
105.07037	2.9
107.05005	1.6
107.08591	57.1
109.06522	30.3
109.07216	0.7
109.10159	12.0
111.04403	2.5
111.08081	100.0
112.08350	1.3
119.03453	4.7
119.04942	1.2
121.10155	2.6
123.08083	1.6
123.11633	1.3
125.09620	16.1
127.07593	3.5
131.08597	2.4
133.06485	1.4
133.51619	1.1
135.08018	10.7
137.05952	9.3
138.17238	1.0
141.09111	1.8
149.09610	9.5
151.07553	4.9
153.09100	64.7
155.07016	8.5
167.10667	6.6
169.08597	79.8
177.09093	5.0
185.11737	23.7
185.13300	1.9
195.10155	69.7
209.11760	1.6
209.16655	1.4
209.18782	1.2
227.10536	1.7
227.12785	3.5
227.17648	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	227.1645
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.38117	1.5
52.38188	1.5
55.01892	1.8
55.05514	9.1
57.03436	5.4
57.07070	2.1
58.67214	1.5
59.05003	4.7
59.36046	1.4
62.18356	1.7
67.05507	4.8
69.03438	4.2
69.07077	12.0
71.04994	22.6
73.02907	2.1
73.06540	3.6
79.05490	8.7
81.07059	15.4
83.05000	4.0
83.08623	5.2
84.17944	1.9
85.06541	6.3
87.40121	1.6
91.05481	6.9
93.07053	18.5
95.04976	100.0
95.08611	13.0
97.06541	31.9
97.10143	1.8
99.04465	21.9
99.08092	15.8
100.11263	35.9
100.53817	1.7
105.07040	7.6
107.08602	19.2
109.06525	23.6
109.10168	10.3
111.08098	5.3
112.37126	1.8
115.07575	44.8
119.08564	4.9
121.10168	17.9
123.08047	3.6
123.11705	5.2
125.09630	8.5
127.07574	8.7
131.08565	4.6
133.10143	38.1
135.08081	4.8
135.11668	5.9
137.09636	2.9
139.11191	12.2
140.04703	3.0
145.10110	2.6
147.11690	7.5
149.09650	2.2
149.13293	9.2
151.11200	9.4
153.09132	39.8
155.07056	4.7
158.10815	2.0
163.11125	1.9
163.14841	5.5
171.10078	8.7
173.13283	15.7
181.04945	3.0
191.14317	14.5
209.08076	1.6
209.11862	2.2
209.15161	15.5
227.12799	1.8
227.16232	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.54010	1.1
53.03928	1.4
53.15322	1.2
55.01868	4.9
55.05524	7.2
56.26451	1.3
57.03427	4.4
57.07068	2.1
59.04996	2.8
67.05503	7.6
69.03414	2.4
69.07071	10.1
71.04992	14.9
79.05489	13.4
80.04663	1.1
81.07056	100.0
83.04967	3.3
83.08613	7.6
85.06532	4.4
91.05469	5.7
93.07035	17.6
95.04413	2.3
95.04967	26.4
95.08605	13.4
97.06513	9.2
99.04432	5.1
99.08094	22.4
100.11254	11.8
105.07036	9.6
107.04929	1.9
107.08595	26.2
109.06503	11.4
109.10145	15.9
111.08077	9.9
113.05984	1.6
115.07554	2.2
119.08578	5.8
121.06488	3.2
121.10138	26.2
123.08076	6.6
123.11699	9.2
125.06001	1.5
125.09623	4.4
127.07523	3.4
129.09143	3.3
131.08545	5.8
133.10121	28.2
135.08075	6.4
135.11678	7.1
137.09602	7.5
139.11168	5.7
143.58313	1.2
145.10126	3.8
147.11684	7.0
149.05856	1.3
149.09673	3.1
149.13248	17.6
151.11150	4.3
153.09093	6.7
158.10912	1.7
163.07521	1.6
163.11214	2.9
163.14832	9.3
165.12776	10.2
167.10704	3.4
167.14326	1.5
168.09898	1.3
171.10190	1.7
173.13251	14.4
191.10677	2.3
191.14307	22.3
199.08710	5.0
209.11670	3.0
209.15305	26.8
227.08461	15.6
227.12823	2.1
227.16325	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.67352	2.1
53.03922	2.8
55.01871	18.8
55.05508	18.9
57.03441	10.1
57.07076	10.4
59.04979	6.7
65.03931	2.0
65.18283	1.6
67.05504	23.5
69.03398	8.5
69.07071	27.1
71.04993	43.9
71.22630	2.4
73.06538	2.2
77.03868	2.4
79.05489	20.3
81.03403	3.5
81.06632	2.8
81.07055	35.0
83.04941	5.8
83.08633	10.3
85.06547	42.8
91.05484	15.3
93.07043	58.5
95.04968	100.0
95.08607	36.3
97.05980	2.9
97.06528	39.7
97.10135	4.6
99.04456	45.5
99.08099	34.4
100.11262	37.9
101.05978	1.9
105.07032	37.7
107.08595	79.7
109.05860	2.4
109.06522	36.2
109.10165	20.1
111.04428	2.2
111.08102	14.9
111.11710	1.9
111.41554	1.9
113.06021	14.9
113.09589	5.7
113.96414	2.3
114.09128	7.0
115.07516	7.1
117.06988	5.3
119.08573	20.4
121.06522	12.1
121.10141	75.1
123.08060	21.2
123.11736	12.1
124.55394	2.1
125.09631	11.9
127.07571	16.3
131.08569	12.2
133.09196	2.6
133.10135	49.1
135.08047	12.5
135.11697	18.7
137.09602	9.8
139.11168	17.2
142.08533	6.3
143.10689	10.6
145.10132	20.6
147.11667	19.2
149.09607	11.6
149.12282	1.8
149.13255	20.0
149.29568	1.8
151.07559	14.4
151.11134	11.3
153.07993	2.7
153.09109	36.9
158.10823	4.0
161.13223	4.8
163.09973	2.8
163.11188	47.9
163.14824	9.3
165.12692	5.7
167.10692	12.8
168.13834	3.8
169.07216	3.2
169.08612	63.1
171.10147	20.0
173.09581	3.6
173.13232	21.9
181.12202	17.7
183.13754	4.6
185.11700	2.8
191.10672	26.0
191.14355	14.8
196.13268	3.8
209.11804	10.3
209.15248	24.8
227.12665	7.7
227.16325	89.1
227.19475	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03951	2.5
53.90496	1.5
55.01867	2.6
55.05500	12.4
57.03436	4.5
57.07060	3.0
59.04995	4.4
67.05505	7.6
67.12025	1.4
69.03413	1.8
69.07063	12.2
71.04988	20.1
72.65762	1.5
73.02905	2.5
73.06577	3.5
73.75143	1.4
75.69228	1.5
79.05472	7.5
81.07061	12.7
83.04980	3.9
83.08620	7.1
85.06543	6.2
91.05453	7.0
93.07049	15.7
95.04970	100.0
95.08604	13.9
97.06527	36.3
99.04458	24.4
99.08084	18.4
100.10707	1.5
100.11252	41.5
105.07030	8.9
105.53500	1.8
107.08589	15.1
109.06517	22.6
109.10145	10.0
111.08092	6.9
113.96395	2.5
115.07575	42.5
117.27958	1.6
119.08581	6.5
121.06530	2.4
121.10148	17.5
122.10481	1.8
123.04421	1.6
123.08099	4.5
123.11704	6.4
125.06117	1.8
125.09634	6.5
127.07538	9.2
131.08577	4.2
133.10123	32.3
135.08066	5.6
135.11670	3.5
139.11192	9.1
140.04715	2.2
145.10063	1.9
147.11681	6.9
149.09616	4.3
149.13263	7.2
151.11177	6.0
153.09103	37.5
153.12671	1.5
155.07056	6.8
163.08691	1.5
163.11200	2.2
163.14828	6.8
165.12849	1.8
167.07042	1.9
167.10692	2.0
171.10130	7.3
173.13261	16.7
173.14636	2.5
181.04967	7.0
191.10628	2.1
191.14299	14.2
206.46269	1.4
209.07957	2.6
209.15094	15.2
227.12779	3.3
227.16142	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0862
Annotation	Benzyl salicylate
Peak:m/z	Relative Intensity
55.01883	3.4
55.05508	8.1
63.12258	3.6
65.03959	5.4
67.05515	14.0
69.07056	5.3
69.21513	22.1
75.19514	4.5
81.07066	10.2
83.08640	5.2
85.06507	4.4
91.05490	100.0
95.08617	3.4
98.97559	4.3
105.03457	4.0
105.07095	4.2
109.10161	11.6
119.08575	4.9
146.91885	7.5
151.03922	12.5
151.08772	4.6
151.11116	3.7
165.06956	5.1
169.10243	4.3
200.14409	4.4
207.45685	3.8
211.07542	33.3
228.17679	8.6
228.23203	28.4
229.08777	6.0
229.12004	9.7
229.15909	5.9
229.17845	9.1
229.23538	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	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00471	0.2
52.91410	0.2
53.15425	0.3
57.03435	0.5
58.06599	5.7
58.06869	0.5
59.07390	1.4
60.08164	6.8
64.68113	0.3
68.05027	1.0
69.91407	0.8
70.06590	35.7
72.08172	0.3
75.38349	0.3
81.04547	1.5
85.06532	0.5
85.32047	0.2
95.06089	2.3
96.08118	1.3
98.06049	0.8
98.22741	0.5
101.00861	0.4
114.05527	4.3
114.09158	2.0
116.07078	1.1
119.01914	0.3
124.07597	3.5
126.09132	0.7
127.05045	1.1
142.08632	31.5
170.08115	1.7
183.11340	1.6
229.11763	4.1
229.15463	100.0
230.15753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01877	0.4
56.79762	0.2
56.96569	0.7
57.03437	0.4
58.06599	4.8
58.98961	0.2
59.07379	1.0
60.08163	6.0
62.66800	0.2
68.05031	0.9
69.03441	0.4
70.06590	31.3
71.45561	0.3
71.45929	0.2
72.08173	0.4
73.02920	0.7
82.38390	0.2
85.02906	0.5
96.08133	1.2
97.02896	0.3
98.06058	0.7
98.97574	1.3
101.00882	0.4
102.85113	0.2
107.10110	0.2
108.64155	0.2
109.02898	0.2
110.03680	0.2
113.00900	0.2
114.05530	3.5
114.09169	1.7
116.07086	0.7
116.98621	0.6
119.01902	0.6
123.04504	0.2
124.07595	2.9
126.09157	0.7
129.53584	0.2
131.01910	0.2
132.03371	0.2
134.99724	0.3
136.03673	0.2
138.03404	0.3
142.08632	27.8
143.00139	0.2
143.01877	0.3
144.92546	0.2
145.03455	0.3
153.03923	0.5
161.03003	0.3
170.08142	1.5
173.02856	0.2
185.03015	0.3
221.04974	0.4
229.15465	100.0
230.15787	1.0
231.75562	0.2
245.05049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1904
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
53.12524	0.1
61.16273	0.2
63.57329	0.2
63.73956	0.1
67.05493	0.2
69.32522	0.9
69.57887	0.2
72.48006	0.2
81.07013	0.2
86.06044	0.2
102.61958	0.2
110.10475	0.2
118.71329	0.2
119.08598	0.2
121.08114	0.2
130.06517	0.6
145.99512	0.2
158.09660	1.0
172.11188	0.8
173.12006	2.6
174.12970	0.2
178.64978	0.2
186.12766	1.3
187.13557	8.2
188.14368	0.9
200.14313	1.8
201.15088	0.3
214.15906	9.2
215.16660	2.1
228.17415	0.2
230.19029	100.0
231.19469	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	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48811	8.3
56.05751	8.1
56.96563	46.9
61.13266	6.9
66.38595	7.9
69.22026	35.7
70.06570	32.7
71.06920	22.3
73.20846	7.2
83.86189	7.8
84.08157	7.9
98.97592	41.5
101.00883	10.7
103.00655	29.0
109.17010	8.2
116.98615	29.0
119.01904	20.6
121.01674	75.2
129.73196	7.2
131.11160	8.0
134.99646	12.6
139.02690	17.7
143.00124	10.2
143.08925	19.8
161.01256	8.9
161.02948	9.5
168.70277	7.3
189.00665	12.8
202.98572	15.9
217.00192	22.5
230.11682	9.9
230.15814	100.0
230.98810	8.5
231.07109	8.2
231.16000	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	231.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	71.2
58.39406	40.3
62.70055	46.9
64.10118	49.6
70.29613	100.0
71.07699	46.9
80.31081	45.5
94.93048	66.2
100.59946	45.5
101.33401	43.1
105.31892	54.9
122.49306	45.1
128.90771	43.6
130.54744	42.4
214.34435	44.4
231.02699	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	231.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	71.2
58.39406	40.3
62.70055	46.9
64.10118	49.6
70.29613	100.0
71.07699	46.9
80.31081	45.5
94.93048	66.2
100.59946	45.5
101.33401	43.1
105.31892	54.9
122.49306	45.1
128.90771	43.6
130.54744	42.4
214.34435	44.4
231.02699	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	231.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29949	0.6
55.05522	0.9
57.07046	0.5
59.05003	1.6
67.05506	7.3
68.99806	1.0
69.03431	4.3
69.07045	0.8
69.54947	1.8
70.78221	0.6
71.01353	3.1
71.04980	2.2
73.02913	1.7
73.06557	1.0
75.04488	0.6
79.05498	1.7
81.07059	5.4
83.05006	2.7
83.08612	1.4
85.06527	1.4
91.05479	1.5
93.07042	5.3
95.04972	48.6
95.08595	0.9
97.02905	3.4
97.29557	0.5
98.22922	1.9
99.04444	1.6
105.07033	4.7
106.12518	0.6
106.69540	0.5
107.08603	4.1
109.06515	2.1
109.10177	4.2
111.04430	1.2
111.08083	3.0
113.06012	49.4
115.05474	0.7
119.08607	1.1
121.06503	0.9
121.10144	2.1
123.04416	2.9
123.08069	1.1
123.11705	3.4
125.05997	0.6
127.36331	0.5
128.06230	3.0
130.98325	0.6
131.08569	1.0
133.10123	4.4
135.08051	2.6
136.00682	0.7
137.05963	0.5
141.05470	100.0
142.05835	0.7
143.08571	11.3
146.07245	0.7
151.11185	24.9
161.09616	15.1
167.19005	0.5
179.10670	13.7
197.11725	3.8
231.12257	3.9
233.67831	0.7
244.79836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.2
55.05504	1.8
56.05033	10.2
61.01803	0.4
69.07068	15.6
69.32558	0.4
69.68613	1.5
70.06590	17.4
71.04998	1.0
72.08156	1.1
74.02440	14.4
74.85375	0.4
77.60533	0.4
79.05492	0.4
81.03448	0.4
81.04944	0.4
81.07048	0.5
84.04514	0.5
85.40186	0.4
88.03988	2.4
88.07623	1.8
96.08128	7.4
99.04475	0.7
100.03976	6.7
102.05538	100.0
114.09164	5.0
116.07095	6.4
124.07572	0.6
132.10188	0.6
142.07500	0.5
142.08636	14.8
160.09688	42.8
161.09889	0.4
174.12982	0.5
198.83466	0.5
201.85132	0.4
206.57532	0.4
232.15427	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	232.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	1.5
55.05512	2.5
56.05037	10.4
69.07066	16.6
70.06592	15.8
70.06983	0.7
71.04994	0.8
71.44468	0.4
72.08150	1.0
74.02442	15.3
79.05468	0.6
81.07036	0.4
84.04487	0.5
88.04004	2.7
88.07636	1.8
96.08138	8.1
98.06059	0.6
98.09709	0.4
99.04428	1.3
100.03978	7.0
102.05541	100.0
103.05864	0.7
110.09702	0.6
114.09171	5.2
116.07093	7.4
116.27634	0.4
124.07506	0.5
142.08630	14.0
160.09692	38.6
174.11308	0.6
174.12749	0.6
203.04242	0.4
232.15341	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	232.1696
Annotation	Rotundine A
Peak:m/z	Relative Intensity
53.06712	0.2
57.07076	0.4
67.84304	0.2
71.46095	0.2
72.70087	0.2
81.07038	0.3
90.56089	0.2
91.39558	0.3
106.06562	0.6
118.06537	3.1
130.06606	0.4
131.07364	0.5
132.08092	9.8
134.09669	0.5
144.08072	1.6
145.08870	1.6
146.09622	0.6
158.09648	2.5
159.10457	2.7
174.12782	100.0
175.13150	1.1
176.10724	0.3
208.34676	0.3
212.66420	0.2
232.16966	19.5
232.20389	1.4
233.17438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.27427	0.5
53.03941	1.3
55.01869	3.6
55.05508	2.4
56.92762	0.6
57.03411	0.8
59.62449	0.7
65.03921	1.0
67.05500	5.7
68.99788	0.6
69.03428	3.8
69.07063	3.2
69.75498	2.0
71.04974	2.2
77.03954	1.0
79.05487	15.4
81.03423	1.0
81.07054	9.7
83.04977	3.7
84.95439	0.6
85.06522	1.1
87.00848	1.0
91.05479	15.6
91.06046	0.8
93.07041	12.8
95.04966	7.7
95.08602	2.6
97.02914	1.1
97.06536	1.4
98.22805	0.7
99.04450	3.6
103.05466	1.6
105.04495	1.4
105.07025	28.7
107.04243	1.2
107.04948	15.4
107.08580	5.1
109.06512	6.6
109.10145	1.1
111.04427	1.4
115.05452	2.1
116.06277	0.8
117.07020	13.6
119.04932	15.0
119.08575	8.2
121.06515	16.1
121.10134	2.1
123.04437	1.2
123.08153	0.8
123.11665	1.0
125.05962	1.5
127.07553	1.5
128.06215	2.2
129.06996	5.1
130.07782	8.0
131.04964	1.2
131.08574	10.1
133.06493	4.4
133.10114	3.4
134.07268	1.1
135.04427	2.4
135.08070	5.5
135.11673	2.0
137.05974	4.5
139.07526	0.9
141.06996	2.9
142.07808	1.2
143.08566	7.7
144.05692	0.9
144.09369	3.2
145.06473	6.9
145.10117	52.5
147.08047	2.2
147.11687	5.2
148.08800	1.4
149.05963	1.0
149.09598	0.7
153.06923	1.4
154.07755	3.3
155.07191	0.9
155.08546	3.7
157.06506	0.9
157.10152	1.4
158.07283	6.3
159.08073	5.3
159.11682	14.7
161.09624	0.8
163.07523	1.2
163.11176	41.9
167.08572	1.2
169.10126	8.3
171.08044	2.3
171.11707	1.3
172.08826	3.5
173.09615	100.0
174.09998	0.8
175.07509	1.6
177.12790	0.7
178.07759	1.3
179.08569	5.5
181.06485	1.2
182.07272	4.1
187.11176	31.1
187.14798	2.5
189.12779	3.2
191.10661	5.1
197.09615	12.1
205.12263	4.1
215.10666	27.8
215.13843	0.8
217.10640	2.4
227.44432	0.6
233.04396	0.8
233.11708	25.4
233.15123	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	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
51.02377	1.0
53.03931	1.6
55.01874	6.8
55.05501	4.4
57.03426	0.8
59.04987	1.2
65.03918	4.0
67.05499	11.5
68.99776	1.4
69.03426	15.6
69.07063	3.9
71.04990	8.0
77.03905	1.7
79.05487	17.7
81.03408	2.1
81.07051	13.1
83.04960	3.2
85.06538	3.9
87.04442	1.7
88.24310	0.7
91.05476	29.0
93.07041	25.0
95.04965	20.3
95.08599	4.2
97.02898	1.0
97.06526	3.3
98.22586	1.2
99.04456	14.1
103.05457	3.6
105.04514	2.1
105.07024	51.8
107.04945	16.4
107.08585	8.4
109.02785	0.9
109.06519	7.3
109.10118	1.4
111.04445	3.9
113.06046	1.5
113.82127	0.7
115.03894	2.0
115.05457	4.2
116.06213	2.4
117.07013	24.1
119.04938	80.8
119.08582	15.6
121.02861	1.1
121.06499	32.2
121.10162	1.8
123.08090	1.2
125.05968	3.2
128.06223	4.4
129.06984	10.0
130.07774	9.8
131.04906	2.4
131.08560	27.8
133.06480	10.0
133.10118	10.6
134.07239	1.7
135.04382	2.3
135.08044	3.6
135.11662	2.2
137.05960	3.2
139.07445	0.9
141.06992	8.4
142.07742	3.0
143.08554	12.5
144.05666	1.4
144.09328	11.4
145.06483	15.7
145.10118	95.1
146.07236	1.1
147.08029	5.1
147.11710	4.1
148.08821	2.1
149.05972	2.5
149.09569	1.2
151.07544	1.2
153.06993	2.7
154.07764	11.3
155.07362	0.9
155.08522	5.9
156.09352	2.4
157.10156	3.8
158.07260	10.4
159.08072	11.5
159.11684	49.9
161.09593	3.9
161.13171	1.2
162.03091	1.0
163.07524	3.1
163.11169	59.7
167.08551	1.7
169.10129	24.8
171.08043	3.2
171.11674	5.3
172.08807	6.9
173.06036	1.9
173.09608	75.4
174.10010	1.0
175.07527	7.8
177.12743	3.7
178.07742	1.4
179.08554	8.2
181.06410	1.7
182.07295	4.6
187.11171	100.0
188.11421	1.2
189.09108	2.2
189.12770	4.6
190.15895	3.0
191.10654	11.9
197.09601	25.8
205.04948	0.9
205.12228	17.6
213.42229	0.8
215.10664	82.1
216.11037	0.9
217.10721	1.6
233.04567	1.0
233.11711	50.8
233.15398	2.3
233.22258	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	233.1175
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.58258	0.7
52.59032	0.6
53.03942	1.4
55.01873	3.1
55.05510	2.1
65.03947	1.2
67.05518	5.0
69.03441	3.4
69.07068	3.4
69.32484	3.4
71.04985	2.4
77.03954	1.5
79.05500	13.6
81.06608	1.2
81.07061	10.0
83.04980	3.1
87.00855	0.9
91.05477	12.6
93.07055	12.2
95.04979	7.5
95.08617	2.8
97.02866	1.3
97.06531	2.4
99.04444	2.8
103.05462	1.5
105.07032	25.2
107.04961	12.7
107.08604	5.4
109.06534	5.3
109.10146	1.7
111.04454	1.9
115.05463	2.5
116.06190	1.0
117.07017	11.6
119.04957	11.8
119.08587	7.9
121.02838	0.9
121.06512	16.1
121.07329	1.4
121.10119	2.7
123.04412	1.3
123.08075	2.1
125.06001	0.9
127.07557	1.9
128.06218	2.4
129.07011	5.6
130.07788	7.9
131.04886	0.9
131.08589	10.8
133.06512	5.3
133.10158	4.5
135.04396	2.0
135.08066	5.1
135.11665	2.3
137.05998	5.5
137.09622	1.9
138.88530	0.7
139.07611	0.8
141.06985	2.5
143.08559	6.3
144.09338	2.7
145.06514	6.0
145.10129	51.8
147.08040	3.3
147.11664	6.4
148.08838	1.4
149.05946	1.6
149.09723	0.8
153.06963	1.2
154.07822	3.5
155.07079	1.1
155.08553	2.8
157.10107	0.8
158.07310	4.3
159.08093	4.1
159.11696	12.5
161.09619	1.9
163.11191	39.0
167.08540	0.8
169.10129	8.1
171.07968	1.8
171.11641	2.3
172.08850	2.7
173.09628	100.0
173.13251	2.3
175.07567	0.8
177.09087	1.7
177.12733	1.1
179.08553	4.2
181.06650	0.8
182.07208	3.4
187.11182	27.2
187.14790	2.0
189.12714	3.9
191.10641	3.9
197.09604	11.0
205.12189	3.3
215.10686	28.0
215.14087	1.2
215.17903	1.4
217.10724	4.0
233.11726	25.4
233.15225	7.3
233.19022	1.8
236.37265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1331
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03938	2.1
55.01870	5.7
55.05514	6.4
57.03407	1.9
57.07076	2.4
59.05014	2.1
65.03944	2.4
67.05510	14.0
69.03439	5.4
69.07082	7.4
71.04997	8.2
79.05500	33.0
81.03407	2.0
81.07066	59.7
83.04988	12.1
85.06547	3.4
91.05492	22.0
93.07056	40.7
95.04980	23.0
95.08592	7.9
97.06539	22.6
99.04450	5.5
101.06028	3.9
103.05524	1.5
104.07128	2.2
105.03776	1.9
105.04549	3.2
105.06352	2.7
105.07038	38.3
107.04951	8.1
107.08605	21.5
109.06535	42.7
111.04475	3.2
111.08118	1.8
113.06001	3.5
117.07034	7.2
119.04958	5.5
119.08591	25.7
121.06518	93.4
121.10133	3.1
122.18192	1.7
123.04457	4.9
123.08052	7.2
125.05997	4.0
127.07577	21.3
128.06239	4.6
129.05527	2.9
129.07007	8.5
131.08566	13.6
133.06494	11.2
133.10153	19.4
135.04417	6.7
135.08057	21.0
135.11734	2.7
137.05975	10.6
138.52632	1.5
139.07539	4.3
141.05492	3.0
141.06982	3.3
142.07800	10.4
143.08583	20.2
145.06483	2.7
145.10136	16.0
147.08081	8.9
147.11696	23.3
151.07529	2.1
155.07068	2.4
155.08556	3.7
156.09331	8.2
157.10155	36.0
158.07286	1.6
159.08018	2.3
159.11665	1.5
160.08835	2.1
161.06044	1.9
161.09648	4.0
161.13301	8.6
165.12798	4.2
166.07832	5.2
171.11716	38.0
173.08331	1.7
173.09567	7.4
173.13322	2.5
174.08450	4.8
175.07584	1.9
175.11214	40.1
175.14804	3.5
179.10732	3.7
181.10121	6.7
184.08846	3.0
187.11206	2.2
189.12759	38.2
193.12236	3.6
199.11203	45.4
207.13864	2.4
217.12268	100.0
217.15721	4.0
218.10997	10.7
235.13316	93.3
235.16805	12.1
236.13741	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	235.1695
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.05511	14.2
57.07065	7.3
59.05004	6.5
61.36945	3.7
67.05506	18.8
68.63400	4.3
69.07075	12.1
71.05003	29.3
75.25332	4.2
77.86733	4.4
79.05503	11.2
81.07060	40.0
83.08642	5.5
85.06532	4.7
87.91937	4.9
89.06034	11.8
91.05489	17.7
93.07047	32.1
94.85638	4.5
95.04967	14.6
95.08617	26.1
97.06522	5.1
105.07041	45.9
107.08602	100.0
109.06518	14.2
109.10181	25.6
111.08096	31.2
112.04760	4.6
116.06300	4.3
119.08601	41.9
121.06553	5.0
121.10183	22.1
123.08072	7.7
125.09633	40.7
131.08578	15.9
133.10097	24.4
134.10655	4.2
135.11693	31.5
143.08554	9.3
145.10130	25.9
147.08003	6.6
147.11693	79.7
149.13322	4.7
153.12759	8.9
156.07437	5.3
157.10129	8.1
159.11697	8.6
161.09602	6.8
161.13280	6.2
163.11194	5.6
165.12753	9.4
173.13283	5.3
174.08405	7.3
175.11194	12.2
175.14830	19.9
179.10684	8.5
189.16406	34.7
199.14821	8.0
217.15965	42.1
217.19412	5.0
218.11098	28.6
235.16898	71.2
235.21115	7.1
252.75098	4.1
259.56448	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.24682	2.1
53.03943	2.3
53.30944	2.0
53.48481	1.9
55.01873	2.9
55.05518	25.7
57.03434	5.6
57.07070	4.1
59.05003	6.4
63.55287	1.9
67.05507	18.0
69.03424	10.1
69.07069	17.8
69.20829	5.1
69.21258	7.4
71.04993	34.9
79.05497	20.9
81.07058	77.9
83.04986	26.7
83.08620	5.6
85.06553	6.5
91.05470	16.5
93.07046	33.5
95.04971	71.2
95.08613	27.1
97.06540	17.4
97.10201	3.4
99.04473	2.3
99.08099	22.6
105.07030	39.5
107.08592	39.6
109.06518	14.5
109.10166	42.6
111.08099	7.3
117.07019	2.8
119.08579	15.4
121.06572	3.4
121.10157	27.7
123.08010	5.2
123.11707	17.3
125.09646	10.1
127.07536	12.1
127.11189	23.4
131.08580	14.6
133.10135	100.0
134.10524	2.3
135.08031	6.0
135.11697	16.8
137.09601	4.0
139.11182	10.2
143.10657	6.1
145.10136	23.5
147.11705	21.7
149.09592	4.1
149.13223	12.1
151.10043	3.5
151.11194	46.1
153.12759	11.2
155.10687	6.8
159.11681	12.0
161.13283	6.5
163.03862	4.4
163.11220	7.6
165.12735	4.2
169.12149	3.0
173.13208	4.3
175.14790	2.4
177.12747	5.4
177.16443	4.8
191.03407	4.2
196.85040	2.0
201.16342	18.5
219.02805	2.4
219.13823	4.1
219.17403	24.3
237.03874	5.0
237.11092	5.7
237.14783	4.6
237.18512	42.6
256.35907	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	238.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04664	1.4
55.01880	36.3
69.12196	9.7
73.02925	100.0
73.31663	1.6
73.75726	1.6
85.79256	1.7
87.04478	85.8
97.02888	3.7
105.05518	36.8
135.67682	1.6
156.56839	1.7
157.01419	2.1
161.04489	20.2
171.02966	2.0
189.04013	4.7
207.05077	18.8
220.09439	2.5
221.06619	15.5
231.30257	2.0
238.10768	3.2
239.09006	4.3
240.32033	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	239.1277
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
52.19665	2.8
55.05509	5.2
57.03463	2.9
59.05000	5.2
67.05510	14.0
68.57642	2.8
69.03420	6.4
69.07066	10.7
70.98605	2.6
71.05001	8.6
71.45933	3.1
79.05495	10.8
80.31610	3.4
81.07065	29.6
83.04983	14.4
83.08574	3.9
85.02888	8.9
85.06557	3.3
87.04423	3.2
89.06036	8.5
91.05468	5.9
93.07031	18.5
95.04964	24.1
95.08614	24.4
97.02906	3.4
97.06553	4.2
99.04455	23.7
99.08088	2.9
105.07059	14.2
107.04951	3.5
107.08589	27.6
109.02892	7.2
109.06514	10.2
109.10146	28.5
111.08079	6.7
115.03946	7.7
119.08556	11.9
121.06470	6.8
121.10150	8.5
121.13173	3.2
123.04468	15.1
123.08074	26.5
123.11696	31.6
125.05946	4.1
125.09612	8.7
129.06946	3.0
131.08540	4.6
133.08627	4.1
133.10121	12.0
135.08023	5.6
135.11665	4.2
137.06009	6.2
137.09608	26.6
141.09113	8.3
142.29803	3.2
147.07986	4.2
147.11685	5.1
149.09621	4.5
151.07536	3.5
151.11200	33.4
159.11566	3.4
161.09589	8.0
163.07527	3.3
165.09128	7.9
166.68207	2.9
169.12152	3.2
175.11191	6.1
177.05478	30.7
179.10669	37.6
193.12257	5.9
195.10197	5.4
197.11707	45.9
203.10597	4.6
221.08005	3.3
221.11705	13.4
221.15369	4.6
239.08904	100.0
239.12611	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	239.2009
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.71368	1.1
52.29543	1.0
53.57972	1.2
55.01914	1.0
55.05507	3.6
55.92965	1.3
57.03426	2.0
57.07080	1.4
57.21003	1.3
59.04993	4.6
67.05513	6.9
69.07072	5.6
71.04998	3.3
79.05509	4.3
80.94844	1.3
81.07070	12.4
83.04975	1.6
83.08618	4.9
85.02918	3.0
85.06554	1.6
89.06026	4.8
91.05482	2.6
93.07050	9.6
95.08617	13.0
97.06531	4.7
97.10174	2.1
105.07027	4.6
107.08602	8.6
109.06533	1.9
109.10155	6.8
111.08101	1.7
119.08577	6.1
121.10162	7.7
123.08076	3.4
123.11729	5.0
125.09640	2.6
133.08609	2.4
133.10135	4.8
135.11716	6.4
137.05966	1.2
137.09642	2.2
137.13245	8.4
139.11177	3.2
147.11716	6.0
161.09569	1.8
161.13251	3.2
163.14844	3.7
175.14902	2.1
178.76671	1.1
179.10648	2.1
203.17972	8.6
221.15453	1.6
221.19026	7.2
239.08910	100.0
239.20036	3.1
240.09189	2.5
240.19356	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	239.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71368	1.1
52.29543	1.0
53.57972	1.2
55.01914	1.0
55.05507	3.6
55.92965	1.3
57.03426	2.0
57.07080	1.4
57.21003	1.3
59.04993	4.6
67.05513	6.9
69.07072	5.6
71.04998	3.3
79.05509	4.3
80.94844	1.3
81.07070	12.4
83.04975	1.6
83.08618	4.9
85.02918	3.0
85.06554	1.6
89.06026	4.8
91.05482	2.6
93.07050	9.6
95.08617	13.0
97.06531	4.7
97.10174	2.1
105.07027	4.6
107.08602	8.6
109.06533	1.9
109.10155	6.8
111.08101	1.7
119.08577	6.1
121.10162	7.7
123.08076	3.4
123.11729	5.0
125.09640	2.6
133.08609	2.4
133.10135	4.8
135.11716	6.4
137.05966	1.2
137.09642	2.2
137.13245	8.4
139.11177	3.2
147.11716	6.0
161.09569	1.8
161.13251	3.2
163.14844	3.7
175.14902	2.1
178.76671	1.1
179.10648	2.1
203.17972	8.6
221.15453	1.6
221.19026	7.2
239.08910	100.0
239.20036	3.1
240.09189	2.5
240.19356	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	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13030	0.2
54.98629	0.3
55.95760	0.1
56.96564	12.0
57.97361	0.1
58.85246	0.1
59.63319	0.1
61.71611	0.1
69.91135	0.2
69.91470	0.3
71.95271	0.9
76.92620	0.1
86.06147	0.1
88.58511	0.1
98.22771	0.2
98.97581	100.0
99.97959	0.3
116.98619	45.5
134.99657	10.7
140.00168	0.8
153.00716	0.9
158.01277	0.5
166.55405	0.1
174.97636	0.3
176.02263	0.1
177.00673	0.2
177.67964	0.1
181.97374	0.2
192.98804	0.2
195.01738	0.2
216.98714	0.6
219.01944	0.2
234.99744	0.7
240.98662	2.1
250.19501	0.1
257.75354	0.1
258.99756	30.6
259.99878	0.5
261.43747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1437
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03954	1.8
53.15647	1.7
55.01871	5.2
55.05510	14.1
57.03181	3.6
57.03445	37.8
57.07077	3.9
59.05003	6.1
61.54136	2.0
67.05515	12.0
69.03433	35.0
69.07079	6.6
70.32502	1.7
71.05000	5.1
75.04483	47.1
79.05500	8.5
81.07059	20.3
83.04990	41.6
83.08628	4.3
85.02917	9.2
85.06562	4.0
91.05499	7.6
93.07063	24.0
95.04974	12.9
95.08606	15.4
97.02917	4.5
97.06543	12.4
98.97588	11.0
99.04471	8.4
99.08125	3.0
101.06019	4.1
103.05451	2.3
105.03387	3.7
105.07053	12.3
107.04993	3.3
107.08601	15.2
109.02875	17.1
109.06548	8.7
109.10169	38.6
111.04449	4.3
111.08091	13.0
113.06021	2.6
116.98624	6.7
119.08594	13.0
121.06521	6.3
121.09279	3.0
121.10154	56.0
123.04468	5.1
123.08073	34.3
123.11723	8.1
125.05997	29.5
125.09657	6.2
127.03916	2.8
131.08652	3.2
133.10141	8.0
135.08057	9.1
135.11731	7.6
137.09625	39.4
139.07539	22.9
139.11191	100.0
141.05484	10.6
143.07100	5.4
145.10167	9.5
147.08116	2.6
149.09650	10.6
149.13304	2.2
151.07596	2.1
151.11122	2.9
153.09143	8.1
159.11716	4.2
161.09628	6.9
163.11188	13.2
165.09117	29.1
167.07076	16.8
167.10664	10.1
177.12791	8.9
179.10695	6.5
181.12271	4.0
183.10233	3.9
185.08087	16.6
187.11215	2.9
195.13780	4.6
197.11719	5.8
197.17345	4.2
205.12286	13.3
205.15892	2.7
223.13284	38.7
223.16776	2.4
241.14352	32.9
241.19852	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01864	3.2
55.05510	8.8
55.76903	3.2
57.03441	8.9
57.07063	3.5
59.04999	8.6
67.05500	38.1
69.03437	13.8
69.07066	6.1
69.50790	12.8
70.06569	3.1
71.01346	2.8
71.04974	6.9
75.04498	8.0
79.05500	11.5
81.03406	6.8
81.07048	22.2
83.04984	22.8
83.08656	4.0
85.02895	6.4
87.04488	6.8
91.05481	9.2
93.07050	14.9
95.04974	20.2
95.08599	11.1
97.06542	8.7
98.97580	19.1
99.04452	9.9
105.07037	11.2
107.08618	14.6
109.02882	3.3
109.06535	20.4
109.10162	95.1
111.04456	6.9
111.08086	38.9
113.02421	3.1
113.06005	6.8
116.98626	12.9
119.08566	15.9
121.06512	13.3
121.10152	30.9
122.07274	13.7
123.04407	7.3
123.08080	31.3
123.11702	4.1
125.05976	4.9
125.09648	22.7
131.08577	4.3
133.10139	10.7
135.08078	14.4
135.11717	7.2
137.05968	3.1
137.09619	100.0
138.10422	5.8
139.07541	12.9
139.11163	28.0
141.05521	3.4
145.10153	3.7
149.09622	7.6
151.11189	7.6
153.09079	39.4
158.01326	3.5
159.08107	3.6
159.11711	10.3
159.12990	3.0
161.09621	24.6
163.07571	3.9
163.11191	19.1
165.09122	10.2
167.07120	3.6
167.10699	7.6
171.38766	3.0
177.12787	10.3
179.10651	25.2
179.78003	3.0
181.12315	3.7
187.11212	5.6
197.11824	6.0
205.12253	25.9
223.13295	18.6
239.88269	3.0
241.10085	5.1
241.14336	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01849	0.5
55.05505	2.6
55.88483	0.4
57.03429	0.6
59.05004	4.0
67.05505	20.5
68.41457	0.4
69.03429	2.4
69.07061	1.2
69.41507	2.1
71.04996	2.0
72.04514	0.6
79.05477	1.0
81.03419	1.0
81.07054	6.5
83.04974	3.1
83.08601	1.0
91.05496	1.7
93.07029	1.1
95.04951	0.8
95.08601	3.7
96.04753	0.4
97.02899	0.9
97.06516	0.4
98.23473	0.8
98.97573	2.8
99.04458	9.6
100.11255	5.5
102.37044	0.4
103.33251	0.4
107.04950	0.7
107.08598	2.3
109.02871	2.0
109.06486	2.8
109.10159	100.0
110.10476	1.0
111.08086	0.5
116.98617	1.6
119.08567	1.4
122.07312	2.5
123.08108	1.6
125.09658	0.6
127.03919	4.5
134.99696	0.9
137.09616	65.9
137.15565	0.4
138.10004	0.5
142.12288	0.9
159.14906	2.4
163.11180	0.6
165.09088	1.8
167.07072	1.8
177.00648	0.7
179.06184	0.5
183.10170	10.7
183.11703	0.9
183.20450	0.5
185.08133	0.4
192.27303	0.4
195.01779	0.5
199.18048	0.9
223.13297	3.8
241.08740	0.8
241.14334	15.4
241.19160	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	241.1435
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
52.89999	2.2
53.97431	1.8
55.01877	3.0
55.05506	7.5
57.03441	6.3
59.04990	6.1
60.68856	2.1
67.05505	37.5
69.03425	12.0
69.07068	2.8
69.32929	10.8
71.04995	5.5
79.05476	7.6
81.03419	2.8
81.07067	19.2
83.04978	24.8
85.02893	3.7
85.06528	2.6
87.04460	3.7
91.05493	11.8
93.07047	15.0
95.04969	22.3
95.08585	12.9
97.02892	2.5
97.06530	9.1
98.23427	3.7
98.97574	6.4
99.04462	4.6
99.08145	4.1
105.07037	12.6
107.04945	5.3
107.08591	15.4
109.06517	16.7
109.10157	100.0
111.04467	4.0
111.08088	39.7
113.06004	3.2
116.98602	2.1
119.08590	12.7
121.06503	9.6
121.10146	16.5
122.07284	7.6
123.04440	9.6
123.08061	28.5
123.11697	2.6
125.06036	5.2
125.09660	18.7
131.08575	2.6
133.06509	2.3
133.07535	2.1
133.10150	10.3
133.78178	2.3
135.08093	12.0
135.11699	5.5
137.09622	68.5
138.10405	5.1
139.07529	7.7
139.11157	10.9
141.05460	4.4
145.10138	4.5
149.09625	9.9
149.51714	2.3
151.11160	4.9
152.14323	2.3
153.09117	39.9
159.11696	5.8
161.09634	5.8
163.11186	12.4
165.09103	8.1
167.07104	2.3
167.10686	7.1
177.12753	7.1
179.10696	30.8
181.12221	2.5
197.11722	5.8
205.12221	10.0
223.13353	8.9
231.38513	2.2
241.14294	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	241.1551
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05506	0.1
56.05043	0.1
56.96571	0.7
57.03434	0.2
58.06605	16.3
59.71723	0.1
61.02934	0.2
69.03432	0.3
69.07072	0.3
70.06233	0.2
70.06600	2.7
70.20454	0.2
71.05010	0.8
72.08166	0.4
73.02920	0.2
81.03428	0.5
83.04976	0.1
84.08148	9.1
85.02914	1.2
85.06538	0.2
89.02401	0.2
95.04959	0.2
97.02900	0.6
98.06073	0.3
98.09699	1.6
98.10316	0.1
98.22884	0.1
98.97594	2.6
99.04465	0.3
100.09772	0.1
100.11275	0.4
101.00896	0.2
107.04987	0.1
109.02882	0.2
110.97565	0.5
111.02934	0.1
113.06033	0.4
114.05532	0.4
115.03907	0.1
116.07108	0.3
116.10728	0.3
116.98621	1.6
116.99398	0.1
119.01892	0.4
122.43301	0.1
124.07575	0.1
126.05544	0.4
126.09178	0.3
127.02403	0.1
127.03924	0.2
128.02370	0.1
128.10727	3.5
128.98639	0.4
131.07034	0.2
134.99657	0.7
137.06564	0.2
142.62325	0.1
143.00150	0.2
143.01926	0.1
144.10217	1.0
145.03485	1.0
145.04526	0.1
145.05064	0.2
146.99644	0.2
150.09122	0.1
152.07095	0.2
152.10709	0.2
158.08107	0.3
161.02948	0.2
163.04565	0.2
167.05544	0.6
168.10207	0.9
170.99713	0.2
171.05043	0.2
174.03621	0.2
176.06081	0.6
176.56221	0.1
184.04939	0.3
184.55148	0.3
189.03966	0.3
189.06097	0.2
195.12085	0.1
196.09705	5.1
201.00861	0.1
213.06047	0.2
213.16019	0.5
219.01784	0.8
221.05101	0.2
231.07185	0.7
232.07256	0.2
237.02855	1.3
241.15477	100.0
242.15775	1.5
245.05067	0.4
258.99911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.2
57.03440	13.1
59.04987	1.5
64.62213	1.3
65.41992	1.1
71.01350	8.0
71.04993	3.3
73.02917	9.0
83.01352	1.2
85.02899	2.9
87.04475	9.5
89.02393	6.8
101.02378	19.0
103.03945	2.6
105.01870	1.8
111.00768	1.4
115.03930	38.9
129.01839	37.6
133.04959	5.2
134.75389	1.2
141.01852	2.8
143.03407	21.8
152.96886	1.1
157.01320	34.6
159.02879	1.6
161.04448	31.2
168.07486	1.2
171.02882	5.0
189.03937	100.0
194.29047	1.2
202.10503	1.5
207.04987	5.6
224.07587	4.0
242.15771	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	242.967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72823	3.4
63.02903	3.6
71.28088	4.0
71.36832	4.4
77.19879	3.8
89.29068	3.4
94.93015	42.9
118.55873	3.7
129.80214	3.6
132.94576	4.8
136.94023	25.8
152.93518	7.7
164.93523	5.3
166.94972	4.4
168.37314	4.5
176.93517	100.0
206.94572	24.6
224.95607	54.6
242.96681	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02298	2.5
75.76321	1.6
78.33557	1.5
79.05473	2.1
81.07072	9.6
98.09683	7.9
99.08093	2.1
100.07603	2.4
107.95881	1.5
111.04449	2.3
116.10714	5.9
128.07076	2.5
131.10341	1.7
144.60350	1.4
197.07135	2.5
198.14870	19.9
226.14371	27.5
226.16371	2.4
243.04768	100.0
243.07513	6.6
243.17101	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	243.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01580	1.9
53.03956	2.4
55.01884	1.8
55.05521	15.9
57.03427	2.2
61.78376	1.8
63.71544	1.7
67.05499	16.1
69.03437	7.5
70.06585	4.2
70.35902	3.1
71.04995	4.2
74.52329	1.8
79.05493	14.2
81.07066	14.9
83.04981	9.0
85.02866	2.7
85.06496	2.0
87.44085	2.0
91.05474	18.5
91.12538	1.9
93.07053	11.0
95.04984	7.5
95.08629	13.3
97.06535	6.1
98.23032	4.0
98.97614	3.2
99.04482	5.2
101.06057	2.6
105.07041	56.5
107.04943	3.5
107.08575	14.4
109.06509	8.2
109.10170	43.9
111.04468	3.7
117.06979	3.0
119.08590	100.0
121.10140	7.3
123.08058	4.6
123.11765	2.3
131.08582	2.9
133.06555	5.3
133.10141	68.2
135.08090	2.1
135.11740	2.4
137.09636	22.0
139.11197	2.9
147.08078	10.9
151.07559	18.8
153.01874	3.6
155.10638	10.0
158.99605	2.7
161.09621	23.2
163.11172	7.7
165.09135	36.9
165.10406	1.8
169.08673	7.3
179.10667	32.8
183.10175	13.6
189.09138	12.3
190.86475	1.8
197.11732	18.6
207.10231	8.9
207.13803	3.5
213.07738	2.0
222.08339	2.4
225.11243	3.4
243.11710	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	243.1595
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01871	6.3
55.05513	8.1
59.05001	1.8
67.05506	11.4
69.03441	2.3
69.07079	12.7
71.04991	3.8
73.06548	3.1
73.82005	1.6
74.39995	1.6
79.05500	11.5
81.07065	35.2
83.04977	3.0
83.08627	8.7
85.06536	4.2
91.05509	9.7
93.07055	55.3
95.04961	12.5
95.08614	16.4
97.06529	17.8
99.08070	3.3
105.07042	18.5
107.04896	2.0
107.08602	27.9
109.06524	14.8
109.10162	5.3
111.08083	20.5
113.06001	2.6
119.08591	9.9
121.06525	3.0
121.10147	5.5
123.08063	6.2
123.11718	25.4
125.09637	5.5
127.07529	1.9
133.06540	1.4
135.08055	14.1
137.13260	6.6
145.10100	1.6
147.11693	19.5
153.09123	3.1
161.13272	5.1
164.06252	1.6
165.12752	34.2
169.08614	10.5
169.09981	2.5
171.11734	3.3
172.73944	1.8
179.14317	2.7
179.46053	1.5
183.13821	100.0
189.12816	12.5
207.13821	30.7
207.15599	2.7
225.12704	2.2
225.14861	36.8
243.06279	7.9
243.11436	2.2
243.15770	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	244.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	12.6
58.06595	2.8
58.39622	0.4
62.06091	8.2
71.08263	0.6
71.08629	6.4
71.43252	0.4
72.08151	0.5
72.75793	0.3
76.07623	0.4
79.62382	0.3
85.10165	1.9
91.78523	0.3
145.91891	0.4
226.25262	4.5
244.26355	100.0
245.26598	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79818	16.5
93.66899	19.9
100.11256	21.9
122.38883	19.8
124.40797	22.0
199.10776	42.6
245.00673	41.2
245.05188	84.7
245.11360	100.0
263.06357	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	81.2
70.47522	19.1
76.75036	13.4
89.06512	17.7
98.97592	100.0
101.00863	14.8
116.98675	26.9
119.01932	22.6
124.95533	21.7
142.96545	18.9
170.95996	26.1
185.02896	15.9
186.98074	15.8
187.08618	14.1
188.97099	61.2
197.68480	14.7
202.98679	19.0
206.98297	18.0
240.76422	14.7
245.05048	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.081
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
54.76698	0.4
56.92819	0.4
57.82976	0.4
58.74900	0.4
59.19002	0.4
65.03942	3.9
65.68821	0.4
69.35233	0.8
69.35624	1.3
71.85256	0.4
84.37989	0.4
87.59489	0.4
91.05479	100.0
92.05817	1.0
103.33449	0.5
105.07047	0.4
111.24240	0.5
116.49786	0.4
117.67979	0.4
121.02860	1.3
141.15096	0.4
149.02420	0.8
155.22906	0.5
167.03398	9.7
169.08667	0.4
205.41794	0.4
227.07050	5.3
245.07990	0.8
245.15504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	21.4
55.05496	7.0
57.07071	8.2
60.33901	7.3
65.53068	7.3
67.05502	27.0
69.03445	7.0
69.07080	14.0
69.29170	31.5
71.04991	11.0
79.05492	19.2
81.07059	28.1
85.06548	22.9
91.05499	12.4
91.41108	7.0
93.07043	64.2
95.05022	6.4
95.08611	20.2
97.06502	16.4
99.04467	16.8
105.07033	37.8
105.24638	6.1
107.08599	100.0
107.14523	5.9
109.06493	16.1
111.08086	7.3
113.06024	17.7
117.07028	10.6
119.08589	18.4
121.06490	24.7
121.10159	58.1
123.08071	18.1
135.08058	8.3
135.11694	21.9
139.11066	6.3
145.10133	39.9
149.09639	21.9
151.07561	9.0
159.21887	7.1
163.11166	86.7
163.26689	7.1
167.10687	34.0
169.08618	89.9
173.09700	7.4
181.12299	36.2
185.11748	16.8
191.10638	52.1
209.11729	34.1
227.12814	29.0
237.14395	12.4
246.14847	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	245.1386
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
55.01866	20.7
55.05511	4.9
67.05502	9.0
69.03427	6.4
69.07066	13.7
69.54718	5.5
69.55126	3.2
71.04987	5.4
79.05492	11.6
81.07057	16.1
83.05001	3.4
85.06542	9.0
91.05469	4.4
93.07044	25.4
95.04990	4.9
95.08614	17.2
97.06532	12.7
98.23434	3.2
99.04466	8.6
105.07046	18.6
107.08591	47.4
107.83340	1.9
109.06489	9.8
113.06014	6.3
117.07030	2.6
117.64040	2.0
119.08575	4.0
121.06535	7.1
121.10156	14.5
123.08096	9.1
126.39708	1.8
135.08101	2.4
135.11693	8.5
139.11188	3.6
143.08600	2.3
145.10126	11.9
149.09637	6.2
151.07576	10.0
154.50641	1.9
163.11191	32.1
167.10681	16.5
167.95145	2.3
169.08607	100.0
181.12216	20.4
185.11760	6.5
191.10660	14.3
209.11691	11.7
227.12766	23.0
245.15660	2.0
256.02441	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	246.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.5
56.05035	1.1
57.07082	20.3
69.07068	1.9
69.28684	0.7
69.29089	1.5
70.06603	2.6
74.02448	6.4
78.66399	0.3
80.12627	0.4
83.08607	1.1
87.08115	100.0
88.03997	1.4
88.07640	0.6
88.08441	0.8
96.08140	1.3
98.06066	0.4
98.22789	0.9
100.03983	0.9
101.09646	2.3
102.05549	17.8
103.65604	0.4
110.09676	2.0
114.09150	0.9
116.07110	3.9
132.06526	0.4
142.08649	4.6
144.06544	2.6
156.10219	5.0
160.09706	20.2
188.12772	0.5
214.14403	4.9
240.28360	0.4
243.80054	0.3
246.17020	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22960	0.7
52.75195	0.7
94.51562	0.7
101.00880	0.8
113.02042	0.8
119.01894	1.2
133.40361	0.7
148.29373	0.7
187.02130	1.0
196.76787	0.8
200.38364	0.8
229.03200	27.2
247.04259	100.0
248.04649	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	247.0603
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
51.46272	0.2
55.01879	0.3
57.81078	0.2
65.03944	1.7
67.01860	1.9
67.05500	0.5
68.99786	1.5
69.03427	1.7
71.45081	0.3
79.05515	0.4
83.01337	0.5
83.04980	0.3
85.02906	0.6
85.71898	0.3
91.05480	0.6
93.03381	0.4
93.07047	0.4
95.04971	0.8
97.02891	0.9
97.06548	0.3
97.45123	0.3
100.07640	0.4
103.25607	0.3
104.86238	0.3
105.07032	0.9
107.08604	0.4
109.06514	0.4
111.04443	2.1
117.06953	0.4
119.08575	0.9
121.02866	55.7
121.03923	3.4
122.03211	0.5
123.08052	0.7
125.02393	0.3
125.07972	0.3
131.04919	0.5
131.08571	0.7
133.10149	0.3
141.03908	0.3
142.07771	0.5
143.08598	0.3
145.10136	0.4
146.77084	0.2
153.01822	100.0
154.02206	0.6
159.04417	0.6
159.11668	0.3
171.02873	1.1
187.03934	0.4
189.09227	0.3
199.11124	0.4
201.12674	0.3
205.04901	0.3
215.03433	0.4
219.06534	0.5
227.52858	0.3
229.04875	0.5
229.07091	0.5
229.12283	0.6
247.06015	46.8
247.13327	1.3
248.06259	0.7
260.17654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0602
Annotation	Isopimpinellin
Peak:m/z	Relative Intensity
55.01869	1.0
56.96570	0.4
57.15169	0.3
65.03896	0.3
68.99782	1.3
70.70413	0.6
71.77456	0.2
77.03950	0.4
79.05503	0.3
81.07062	0.4
91.05473	2.7
92.06245	0.6
95.04969	1.1
97.02885	0.2
99.64899	0.3
102.04674	2.2
103.05466	8.5
105.03395	0.6
105.04479	0.3
105.07043	1.0
106.04192	0.3
107.04942	0.4
111.04440	0.4
115.05449	2.8
115.16598	0.3
117.03371	0.6
117.07036	1.2
119.04928	2.3
119.08588	0.3
120.05730	2.5
121.02872	7.5
121.06438	0.4
123.04432	0.8
130.04155	2.9
131.04924	42.8
132.05650	0.4
133.02849	0.6
133.06505	0.7
134.03639	0.5
135.08022	0.7
141.03360	0.5
143.04926	0.7
145.06496	2.1
146.03650	0.3
147.04393	3.0
148.05188	4.2
149.05968	0.8
150.03162	0.3
151.03899	0.5
153.01828	13.0
158.03645	2.1
159.04408	52.9
160.05119	1.1
161.05971	0.8
162.03110	3.3
163.03917	0.7
163.07533	1.2
169.02827	0.5
171.03076	0.3
171.04402	1.6
173.02408	0.4
173.05992	1.4
175.03908	1.3
176.04684	28.3
177.05449	4.7
179.03401	3.8
185.02333	0.5
186.03117	4.7
187.03894	48.7
188.04593	1.4
190.02620	0.9
190.06213	0.3
191.03374	0.4
191.07030	10.6
193.05052	0.3
197.02170	0.4
201.05429	3.5
202.02661	0.5
202.06204	0.5
203.03398	4.6
204.04172	24.3
205.04950	9.5
214.02570	1.4
215.03383	29.8
216.04059	1.2
217.04987	1.2
219.06512	47.2
220.06920	0.3
229.04942	5.3
231.02910	0.5
232.03656	13.8
232.23119	0.3
247.06003	100.0
248.06361	1.1
251.89201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03955	2.1
55.05511	70.5
56.05828	0.4
68.58298	0.3
69.07847	1.9
79.05490	0.3
83.04980	100.0
84.05328	0.4
91.05481	1.9
101.06013	1.3
104.99279	5.8
117.07018	1.0
117.78440	0.4
119.07745	0.7
119.08576	10.7
129.07002	0.6
132.05696	0.6
147.08046	26.1
247.13377	0.8
247.24525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
50.02739	0.6
53.03936	1.8
53.04168	0.6
53.94505	0.5
55.05512	61.2
60.00342	0.7
61.51480	0.6
83.04982	100.0
87.46967	0.8
91.05492	3.5
98.22701	1.5
104.99275	9.1
107.04936	1.0
113.75474	0.6
117.07034	1.5
119.08575	12.4
129.07025	1.2
132.05736	3.7
147.08051	42.3
247.13315	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	247.133
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03958	1.7
55.05510	67.7
56.05824	0.4
57.07082	1.4
58.07425	0.4
70.06589	3.3
71.06893	0.4
76.04712	0.4
83.04980	100.0
88.07632	4.3
91.05476	2.3
98.22599	0.8
101.06011	1.3
102.09184	0.9
104.52618	0.4
104.99287	3.0
106.08663	2.0
117.07014	1.2
117.39864	0.4
118.31816	0.3
119.08573	11.4
128.33833	0.4
129.07077	0.4
147.08047	25.2
147.71330	0.4
148.08249	0.5
228.23213	0.8
229.23595	0.9
230.14812	0.4
246.24287	13.7
247.13310	0.6
247.24611	14.5
247.52635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13998	3.2
69.84515	10.5
79.30488	2.7
79.60429	2.8
87.23610	3.0
89.57607	2.9
91.38617	2.9
91.82207	2.9
94.93024	100.0
98.97605	6.9
112.99160	6.1
146.99652	3.7
150.91978	3.9
154.99998	3.2
203.96400	3.5
206.88670	30.8
207.01848	3.5
248.89680	25.8
249.03728	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10001	4.3
50.61152	4.0
50.69153	4.4
57.92838	4.1
58.43562	4.3
70.14337	11.3
94.93019	100.0
177.07030	5.3
206.78313	5.8
206.88583	37.1
226.41887	4.9
248.89708	25.2
249.03746	98.6
265.12552	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	250.9356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18263	4.0
83.96929	0.7
94.93014	15.2
96.92834	9.1
98.98470	62.3
116.99478	0.9
119.28576	0.6
122.92477	1.0
136.94005	2.8
142.92763	0.7
150.92047	0.8
160.80836	0.7
160.94014	0.7
174.99251	3.0
176.93518	100.0
177.02315	0.7
192.93034	2.4
204.93005	1.5
205.04878	0.7
208.88426	4.3
250.89503	4.2
250.93542	2.8
250.97202	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	251.0551
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
51.02402	0.4
55.01872	1.1
63.02376	0.4
65.03939	0.9
68.99780	1.5
69.93837	0.6
71.01350	2.2
77.03929	0.6
78.04697	1.8
79.05499	2.1
81.03402	0.4
81.07040	0.4
89.03905	3.4
89.06039	0.3
91.05479	11.1
91.06057	0.5
93.03414	0.4
93.07055	1.2
95.04955	1.7
98.22738	0.5
98.98464	35.8
103.05475	3.8
105.03383	1.4
105.04507	0.8
105.07031	1.1
106.04166	2.5
107.04958	4.4
109.02883	0.5
109.06511	0.5
116.89819	0.3
116.99512	0.8
117.03374	5.5
118.04170	0.6
119.04939	13.1
120.02087	0.4
121.02866	0.9
121.06498	1.6
123.04439	0.5
125.06055	0.3
131.04922	2.5
133.02856	1.8
133.06479	0.9
134.03624	6.6
135.04408	2.9
137.06001	0.8
138.03131	0.8
145.01695	0.3
145.02841	7.9
146.03615	1.5
147.04407	14.4
147.08195	0.3
148.01451	0.3
149.02319	1.2
149.05980	12.7
151.03889	1.0
151.07590	0.3
152.07043	0.4
153.05473	1.3
156.07430	0.3
159.04449	2.2
161.02390	0.7
161.05957	1.7
162.03116	31.1
163.03900	10.0
163.05298	0.4
164.04704	1.8
165.01833	2.1
165.05486	0.7
166.02626	0.6
167.03455	0.3
170.14780	0.2
172.01477	0.3
173.02336	8.8
174.02875	0.3
174.99191	1.6
175.03906	20.1
176.04681	1.4
177.01886	1.1
177.05464	33.6
178.02568	0.3
178.05798	0.4
179.03389	2.4
179.07021	1.7
180.04150	0.4
181.04976	1.3
187.03891	0.9
189.01817	0.8
189.05460	0.6
190.02597	15.8
191.03381	29.4
192.04138	2.8
195.02925	0.4
195.06407	1.3
201.01845	1.4
204.04137	0.6
205.04956	100.0
206.05492	2.1
207.02852	1.1
207.06509	1.7
208.03702	2.2
209.04442	0.6
215.03365	0.3
218.02084	3.8
219.02872	31.8
220.03481	0.6
222.05118	0.3
223.06009	4.8
233.04436	84.6
234.04686	1.2
236.03046	0.5
249.79366	0.2
251.05493	26.4
251.13510	0.7
252.05673	0.3
259.71179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0553
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
51.02385	0.4
53.03933	0.3
55.01875	1.3
65.03922	1.2
66.01158	0.3
68.99805	1.5
70.94743	0.5
71.01353	2.6
77.03928	0.8
78.04699	1.5
79.05499	1.4
81.03404	0.3
81.07075	0.4
89.03912	3.5
90.11192	0.3
91.05486	9.5
93.03397	0.5
93.07024	1.0
95.04989	1.4
98.22993	0.4
98.98480	9.7
103.05480	3.3
105.03384	1.3
105.07018	0.8
106.04181	2.3
107.04968	3.7
109.02891	0.5
109.06498	0.4
117.03397	4.9
118.04155	0.9
119.04953	13.1
120.02021	0.4
121.02872	0.9
121.06522	1.5
121.72414	0.3
123.04417	0.6
131.04971	2.2
133.02852	2.1
133.06465	0.4
134.03648	6.4
135.04420	2.7
137.05963	1.0
138.03111	0.7
144.02170	0.3
145.02853	8.2
146.03642	2.0
147.04422	15.4
149.02359	1.2
149.05995	11.2
149.07193	0.5
150.03114	0.3
151.03925	1.4
153.05455	1.3
159.04425	2.0
161.02304	0.7
161.06006	1.9
161.35733	0.3
162.03130	29.8
163.03912	8.9
164.04672	2.5
165.01888	2.1
165.05460	0.8
167.07152	0.3
173.02357	8.9
174.03018	0.3
174.99190	0.4
175.03931	17.8
176.04683	1.8
177.01941	1.0
177.05487	34.2
179.03430	2.2
179.07098	2.1
180.04196	0.5
181.04956	1.7
187.03938	1.0
189.01776	0.7
189.05530	0.6
190.02625	15.4
191.03401	29.2
192.04185	2.8
195.06657	0.3
201.01819	1.2
204.04169	0.8
205.04979	100.0
206.05449	2.3
207.02885	0.9
207.06526	1.6
208.03645	2.1
209.04611	0.7
215.03439	0.8
218.02104	4.3
219.02902	34.4
220.03357	0.8
222.05206	0.4
223.06032	4.5
233.04462	88.4
234.04767	1.5
236.03160	1.1
250.16232	0.6
251.05534	26.9
252.05991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.96562	2.0
57.03429	1.1
59.04981	0.6
61.02927	1.9
69.03430	4.1
71.04991	11.1
73.02935	0.9
74.81699	0.4
77.01616	0.4
77.65162	0.3
79.94364	0.4
81.03420	1.5
85.02903	20.1
87.04451	0.6
89.06029	46.6
91.03943	0.8
91.05482	1.1
94.96554	0.4
97.02888	4.0
98.98463	100.0
99.04450	1.1
108.06611	0.4
109.02867	2.1
115.03889	0.4
116.98616	1.7
116.99507	2.3
117.03349	0.4
119.04945	1.0
127.03927	3.7
134.06039	1.5
134.99698	0.8
145.02838	0.6
145.04985	4.3
147.04439	0.8
149.05997	0.6
152.07082	1.6
153.01782	1.9
155.07010	0.6
162.03130	2.7
163.03893	0.6
163.06038	0.8
174.99197	4.8
175.03937	1.2
177.05440	2.5
187.02728	0.5
190.02498	0.9
191.03397	2.5
195.93442	0.3
205.04991	7.6
205.10890	1.4
208.99657	0.4
219.02931	1.9
229.03809	1.8
233.04459	6.7
233.10275	1.2
250.93924	0.4
251.05649	2.1
251.10461	3.0
251.13953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03936	2.9
54.44631	1.5
55.01887	12.6
55.05512	7.0
56.47263	1.8
61.02927	2.3
65.03959	2.3
66.10924	1.7
67.05503	20.2
69.03445	11.2
69.07071	7.3
70.11468	5.1
71.04994	11.4
77.03928	2.1
79.05499	33.4
81.03415	2.1
81.07059	37.8
81.07507	3.1
83.04993	5.5
83.08635	2.6
85.06543	22.7
90.32938	1.8
91.05473	29.4
93.07047	75.8
94.07378	1.9
95.04971	37.2
95.08601	9.7
97.06535	25.4
98.98465	94.8
99.04465	10.6
103.05473	2.3
105.07029	55.2
107.04954	17.6
107.08604	19.7
107.81759	1.8
107.87508	2.1
109.06517	55.2
109.07214	3.9
111.08092	17.3
111.79939	1.9
113.06030	2.5
115.05490	5.6
116.06280	2.2
116.99472	2.1
117.07008	17.4
119.04942	14.8
119.08560	15.2
121.06507	55.5
121.10147	2.9
123.04462	3.3
123.08076	3.0
125.05997	5.4
127.07558	20.7
128.06221	2.5
129.06996	7.4
130.07802	7.3
131.04953	3.5
131.08571	22.5
133.06502	8.9
133.10144	6.9
135.08102	3.2
135.11700	3.1
137.05991	15.0
139.07541	45.5
139.08560	3.5
141.06995	6.7
143.08557	7.5
144.09363	9.2
145.06467	9.6
145.10121	86.3
147.08107	2.3
147.11681	4.7
149.05974	2.2
151.07492	3.9
153.07010	3.0
154.07843	8.7
155.07072	2.5
155.08517	4.1
157.08615	27.2
157.09966	3.0
158.07277	6.7
159.08069	10.9
159.11685	44.5
160.11989	2.1
161.09622	4.4
161.13283	2.8
163.11176	28.4
167.08725	2.3
169.10129	20.4
171.11653	2.5
172.08789	4.5
173.05969	2.7
173.08215	3.6
173.09605	23.7
174.99152	3.1
177.12782	8.2
179.08575	10.5
181.06470	2.6
182.07309	5.7
187.11176	85.5
189.12758	3.6
190.15858	2.6
191.03421	5.1
191.10655	13.2
197.09622	38.3
205.12251	33.4
215.10661	100.0
216.11035	3.5
233.11716	26.2
242.20015	1.9
247.21487	2.0
251.05310	4.1
251.12755	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	251.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01868	1.3
55.05511	1.7
57.62733	0.4
58.74383	0.4
59.05005	1.3
64.54481	0.4
65.03936	0.4
67.05508	3.9
69.03425	1.8
69.07082	2.4
71.04988	2.1
78.92453	0.4
79.05502	8.2
81.07063	12.5
83.04979	1.8
85.06536	0.7
91.05479	5.8
93.07047	9.5
95.04981	5.9
95.08619	4.5
97.02885	0.7
97.06530	3.6
98.98473	100.0
99.04442	2.3
99.08092	0.5
101.06045	0.7
105.04491	0.6
105.07034	9.6
107.04957	4.7
107.08607	5.8
109.06528	9.4
109.07236	0.9
109.10168	1.2
111.08094	1.2
113.06020	0.7
116.99533	2.2
117.07007	2.5
119.04922	3.4
119.08601	3.1
121.06516	7.5
121.10143	2.3
123.04449	0.6
123.08098	0.8
123.11697	0.7
125.06010	1.9
127.07563	1.0
128.06293	0.8
129.07007	1.0
130.07811	0.9
131.08575	4.1
133.06500	2.2
133.10149	1.2
135.08070	1.8
135.11725	2.9
137.05989	7.9
137.09636	0.6
139.07602	2.3
141.07002	1.1
143.08583	1.5
144.09341	0.7
145.06522	0.9
145.10141	13.8
145.66084	0.4
147.08058	0.9
147.11710	1.5
148.08868	0.6
149.06062	0.7
149.09610	0.6
153.07089	0.6
154.07755	0.9
155.08611	1.1
157.08597	1.7
157.09917	0.5
158.07288	1.5
159.08032	1.1
159.11726	5.7
161.09592	0.6
161.13258	0.9
163.07529	0.6
163.11191	19.3
165.09096	0.5
169.10132	2.0
171.11723	1.0
172.08861	1.0
173.09637	5.7
173.13251	0.8
174.99257	5.1
177.12762	1.0
179.08632	1.4
181.06461	0.5
181.12224	5.8
182.07265	0.8
187.11189	10.7
189.12759	0.9
189.32831	0.5
191.03400	1.0
191.10707	5.3
191.14259	0.9
197.09618	4.5
205.04993	0.6
205.12248	3.3
215.08571	0.7
215.10695	13.8
215.14052	0.6
227.12790	1.3
233.11729	8.3
233.15315	0.9
233.18762	0.5
251.12714	6.2
251.16417	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	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05508	2.1
57.07085	0.9
59.04992	0.9
60.31914	0.7
67.05506	4.5
67.43000	0.7
69.03423	2.2
69.07071	3.0
71.04997	7.9
71.28844	0.9
75.85707	0.9
79.05494	15.4
79.16174	0.7
81.07059	49.2
83.04977	1.5
85.06547	1.0
91.05487	5.7
93.07050	18.3
95.04984	3.6
95.08613	9.4
97.06530	4.1
98.98470	100.0
105.07036	7.1
107.04979	1.9
107.08593	27.0
109.06547	2.8
109.10162	7.1
111.08071	1.8
116.99491	1.5
117.03416	1.0
117.07024	2.1
119.08578	14.2
121.06522	2.0
121.10151	7.4
123.08055	4.4
125.05994	6.2
125.09636	2.2
131.08586	2.2
133.10129	4.5
135.08122	0.9
135.11693	41.6
137.09590	6.7
137.13220	2.5
139.07564	1.1
145.02873	2.2
145.10107	13.3
147.08055	3.7
147.11696	2.2
149.09700	1.3
153.12743	2.1
159.08128	1.2
159.11635	0.9
161.09592	1.2
163.11194	13.8
165.09163	2.2
173.09613	1.1
173.13257	2.4
174.99222	4.5
177.05484	1.4
181.12231	9.1
187.11229	1.1
187.14839	2.1
189.16302	0.7
191.03522	1.1
191.14319	2.7
203.50435	0.7
205.15886	6.5
215.14279	2.2
233.15367	5.9
246.03859	0.8
249.49074	0.7
251.16443	8.7
256.91284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50030	0.2
53.03931	0.3
55.05510	8.5
55.85504	0.2
56.96558	0.5
57.07066	0.9
58.06599	10.2
67.05503	10.9
69.07064	11.4
69.78324	0.7
71.08629	0.3
72.08149	0.8
73.62794	0.2
79.05476	0.4
81.07055	10.7
83.08621	3.8
85.14659	0.2
90.21462	0.2
92.10986	0.2
93.07038	0.3
95.08602	10.6
97.10169	2.0
97.99173	0.3
98.09682	0.6
98.23412	0.3
98.98468	9.7
109.10151	5.2
111.11708	0.3
116.99459	0.3
123.11727	1.2
137.13239	0.6
150.05583	0.3
151.14755	0.3
153.28606	0.2
178.04997	0.3
182.18939	0.5
196.06042	2.2
224.09230	0.8
252.12263	1.2
252.26852	100.0
253.27213	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	253.0087
Annotation	2,2'-Dithiobis(pyridine N-oxide)
Peak:m/z	Relative Intensity
52.33622	1.6
69.37348	6.7
71.43119	1.5
96.92807	6.5
98.22654	2.6
98.43844	1.5
98.71076	1.6
100.65778	1.4
107.55145	1.5
213.39519	1.6
225.93883	1.5
226.34900	1.5
242.29196	1.5
252.89406	3.0
253.00845	100.0
261.47165	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	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03948	2.0
55.01878	3.9
55.05514	5.1
57.07062	0.8
59.04993	0.9
63.60939	0.5
65.03940	1.2
67.05506	12.0
69.03426	3.3
69.07068	5.5
69.73724	1.6
69.74059	0.6
71.01347	0.7
71.04994	6.8
73.51362	0.5
77.03936	1.8
79.05492	21.8
79.05950	1.3
81.07056	48.0
82.11214	0.5
83.04968	5.8
83.08616	2.4
85.02882	0.6
85.06540	4.4
91.05483	13.2
91.06054	0.7
93.07048	40.2
95.04965	14.3
95.05527	1.1
95.08605	17.1
97.06529	14.9
98.97817	1.0
98.98471	16.7
99.04456	8.8
101.06001	0.9
103.05461	0.9
105.04562	1.1
105.07027	23.4
107.04969	6.9
107.08592	17.2
109.06516	35.7
109.10142	3.6
111.04430	1.6
111.08080	4.4
113.05994	3.4
115.05443	1.1
115.07569	0.6
117.07018	2.4
119.04941	1.9
119.08587	17.4
119.09431	1.2
121.06505	100.0
121.10091	3.1
123.04440	5.8
123.08069	5.1
123.11665	0.8
125.05974	5.0
127.07554	11.4
128.06224	1.8
129.07011	6.0
131.08563	5.6
133.06490	4.2
133.10132	9.3
135.04433	4.9
135.08051	9.8
135.11655	0.9
137.05998	5.5
137.09590	1.4
139.07541	19.0
141.05455	2.2
141.06978	1.1
142.07777	5.2
143.07048	2.2
143.08559	9.8
145.06490	1.5
145.10120	7.5
147.08061	4.8
147.11681	28.8
149.09659	1.1
149.13252	0.7
151.07520	1.5
151.11220	0.9
152.72601	0.6
155.08562	1.6
156.09352	4.7
157.06580	1.3
157.08636	2.6
157.10103	16.0
158.07245	1.0
159.06606	0.8
159.08063	1.2
161.05972	1.8
161.09625	1.9
161.13261	14.9
163.14775	1.8
165.06999	1.3
165.12729	5.4
166.07738	3.2
171.08058	1.1
171.11685	18.4
173.09665	2.3
173.13248	1.4
175.11186	19.7
176.84227	0.6
181.10095	6.1
184.08859	2.7
189.12744	27.7
190.13071	0.8
191.10588	1.0
191.14314	0.6
193.12231	17.6
199.11179	35.0
200.11562	0.7
207.13834	11.3
211.13222	1.1
217.12236	87.9
218.12593	1.6
235.13283	45.1
236.13518	1.0
253.14340	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	253.1435
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
55.01874	9.5
55.05507	7.7
55.87395	1.6
65.03937	1.4
67.05495	14.9
69.03421	4.8
69.07063	7.8
70.10130	3.6
71.04984	9.9
73.74537	1.2
77.03461	1.3
77.03915	2.7
79.05490	21.8
81.06567	2.0
81.07055	53.0
83.04971	8.5
83.08621	4.5
85.06528	7.1
91.05472	20.7
93.07043	62.6
95.04966	21.3
95.08603	25.1
96.35209	1.5
97.06535	17.6
98.98466	100.0
99.04461	13.7
101.06010	2.8
101.07079	1.5
105.04493	2.4
105.07026	38.3
107.04953	5.1
107.08585	31.5
109.06513	33.2
109.10149	5.6
111.08070	5.4
113.06017	3.0
115.05424	1.6
116.99512	1.6
117.06993	4.3
119.04947	5.0
119.08576	24.3
121.06503	84.6
121.10155	7.6
123.04414	3.9
123.08080	4.7
123.11734	4.0
125.06002	3.4
127.07532	15.3
128.06212	2.2
129.07005	4.3
131.08571	8.7
133.06477	5.2
133.10123	17.2
135.04372	4.6
135.08047	21.6
137.05965	7.8
137.09596	3.0
139.07539	28.2
141.05569	2.2
142.07761	5.9
143.07301	1.4
143.07469	1.7
143.08534	11.7
145.10117	7.6
147.08018	5.4
147.11682	39.5
153.08980	2.1
155.08600	1.9
156.09364	4.8
157.10109	25.9
159.08002	1.6
161.09615	2.4
161.13280	10.8
165.12747	16.9
166.07800	2.0
171.08096	2.3
171.11678	22.2
173.09650	4.1
173.13242	1.7
175.11174	28.3
176.98880	2.6
181.10136	4.0
184.08838	2.3
189.12729	28.2
193.12251	15.8
199.11174	32.5
203.47357	1.5
207.13875	9.8
210.18471	2.1
211.13359	1.8
217.12228	84.7
218.12556	1.6
235.13281	71.6
236.52884	1.4
253.14311	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	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05499	2.7
57.07074	2.1
59.05005	1.0
65.03947	1.0
65.45760	0.8
67.05503	13.1
69.03414	1.8
69.07070	8.3
71.04996	9.6
71.46302	1.0
79.05483	2.8
81.07050	10.8
83.04932	1.1
83.08624	1.4
91.05478	3.7
93.07036	9.7
95.04961	10.2
95.08614	7.1
97.06518	1.5
98.98469	100.0
99.04479	1.3
105.07032	10.7
107.08593	14.2
109.06513	2.6
109.10163	28.6
110.07104	0.9
111.08100	1.1
113.05946	0.9
116.99516	1.8
119.08589	8.7
121.06508	1.5
121.10152	10.3
123.08046	1.8
123.11762	1.3
125.09651	7.5
127.11103	1.0
127.73878	0.9
131.08571	4.1
133.10123	8.5
135.08078	1.1
135.11674	4.7
137.09612	2.6
137.13303	1.0
139.60042	1.0
143.08530	1.4
145.10118	4.6
147.08054	2.6
147.11687	15.4
149.09630	3.0
149.13338	2.1
151.11102	0.9
153.12755	3.9
157.10080	1.6
159.11687	2.8
161.09595	7.7
161.13295	1.2
165.12749	1.8
166.15855	1.0
167.10684	3.6
169.08556	0.9
174.99216	3.6
175.11200	2.4
175.14780	5.3
176.98965	2.0
179.10670	3.4
189.16397	7.3
191.17964	1.9
193.12149	1.1
193.15894	3.7
199.14876	2.7
203.62849	0.9
207.17442	1.5
210.18546	2.6
210.32178	1.2
217.15919	9.8
232.63446	0.8
235.16904	12.0
245.28413	0.9
253.08603	1.1
253.14301	3.3
253.17767	4.8
253.22684	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
56.96557	1.5
57.03417	1.9
59.04982	2.0
61.02914	6.0
62.85521	1.2
69.03419	3.4
71.01358	45.9
71.42454	1.8
73.02927	1.9
75.04483	11.4
78.86198	1.2
81.03407	1.8
81.07055	3.1
83.06110	3.3
85.02909	11.5
93.04524	3.3
95.06090	6.1
97.02873	3.5
97.28744	1.3
98.06112	1.4
98.97661	1.5
98.98450	9.9
99.04460	1.8
101.02369	3.1
103.03944	23.4
109.39886	1.6
110.07175	16.7
111.00801	3.9
113.02351	4.7
116.03452	3.7
117.01864	3.1
119.03429	2.0
123.05566	1.5
127.00287	5.2
127.03928	2.4
129.01826	3.7
131.03407	42.0
133.04997	6.7
141.01823	5.2
143.03419	2.9
144.02850	1.8
145.01291	3.3
145.04968	17.5
146.27304	1.5
148.26295	1.9
149.04442	1.6
150.90294	1.4
153.05492	2.3
156.07582	1.6
157.04991	22.1
159.02898	100.0
163.06020	4.7
163.12320	7.8
166.13449	2.2
167.11804	1.6
169.57874	1.4
173.04494	3.7
176.05573	4.4
190.13435	4.4
191.05499	17.9
195.11296	2.8
197.80455	1.4
201.03923	4.6
208.14461	11.3
219.04993	92.6
219.71437	1.4
237.06096	7.6
254.14923	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34700	1.3
61.02911	5.4
62.38249	1.2
70.26194	1.4
70.94928	1.7
71.01353	7.1
75.04478	14.6
75.40130	1.4
85.02940	1.6
87.04468	3.7
89.02394	3.2
89.63974	1.2
98.98445	4.0
103.03947	18.4
122.58301	1.7
131.03398	5.8
159.02893	55.3
164.61908	1.2
176.09042	1.1
180.20139	1.4
187.02351	4.4
217.51828	1.3
219.04993	100.0
220.05299	1.4
231.68819	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70168	7.8
55.01867	15.5
57.03445	34.2
59.05030	9.7
61.02938	15.8
61.10552	9.4
61.83067	9.1
64.55177	8.4
69.84225	13.0
69.84571	29.2
73.02931	19.4
74.78247	9.3
85.02898	25.9
87.04456	14.2
98.98465	100.0
101.02408	14.7
115.03931	18.6
123.05566	63.9
124.03977	38.5
129.01851	29.0
133.04950	10.1
143.03400	11.2
152.65979	9.9
157.01321	16.1
161.04468	10.5
189.03940	58.2
190.36223	10.5
203.05547	26.5
203.58409	9.4
218.33060	13.3
255.06279	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
56.96566	15.5
57.03436	24.5
59.05001	6.8
61.02937	3.4
61.09321	1.3
69.03420	2.3
69.84222	2.2
69.84547	2.9
71.01362	6.8
71.05000	6.8
73.02925	10.8
75.04457	2.3
76.50871	1.4
77.65781	1.4
83.01350	4.4
85.02900	13.0
87.04476	15.3
89.02385	6.2
95.01321	2.2
97.02897	1.7
98.23466	1.6
98.97584	89.9
99.04449	2.4
101.02380	34.1
103.03930	3.4
111.00793	3.6
113.02344	1.4
115.03121	2.3
115.03927	36.3
116.60142	1.3
116.98616	34.6
119.03426	1.5
124.03924	5.2
127.03891	2.3
129.01833	48.7
130.93364	1.5
133.04945	7.1
134.99643	7.5
141.01828	2.4
143.03392	24.9
145.04950	4.3
147.02876	2.0
153.24329	1.4
157.00079	2.5
157.01323	34.2
158.95712	1.4
159.02936	1.4
161.04445	38.4
166.00273	1.5
171.02863	14.6
172.94383	6.3
179.07849	1.6
189.03937	100.0
190.95346	2.5
203.05507	35.5
207.04919	2.2
214.95447	2.4
221.06593	9.6
224.07584	4.3
232.96439	4.1
250.97433	2.3
256.96414	6.9
274.97501	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.5
55.05505	7.5
57.03430	3.3
59.05001	14.2
61.02637	1.8
61.02930	24.1
67.05500	10.4
69.03426	21.1
69.07066	1.5
69.89144	2.4
71.04998	2.3
71.27847	0.8
73.02917	2.9
79.05491	8.3
81.03412	3.7
81.06624	1.2
81.07063	13.9
83.01327	2.1
83.04984	4.5
83.08611	5.7
85.02900	3.2
85.06504	1.1
91.03954	10.8
91.05478	10.2
93.07046	14.4
95.01365	1.2
95.04961	7.6
95.08599	3.7
97.02895	62.8
97.06517	3.0
98.06107	0.8
98.97593	3.0
101.02323	0.8
103.03928	2.1
103.05473	1.2
105.07028	3.5
107.04942	3.0
107.08598	28.4
109.02856	1.9
109.06523	6.4
109.10157	14.8
111.04440	9.6
111.08081	76.2
119.03423	0.9
119.04882	0.8
119.08568	5.1
121.06481	2.3
122.07300	7.6
123.04452	2.1
123.08069	5.9
125.09637	22.5
127.07540	7.4
131.08566	1.4
133.06497	1.3
135.04398	1.4
135.08051	12.3
137.05991	6.8
137.09615	56.1
139.07539	6.5
147.08083	1.3
149.09628	1.3
151.07570	3.8
153.09106	100.0
154.09474	1.1
155.07063	3.2
155.10658	2.9
162.57921	0.9
163.03911	1.3
163.07545	12.9
165.09131	4.7
167.06987	1.5
168.45329	0.9
169.08569	2.5
175.07454	1.0
181.08603	14.9
186.03207	1.0
195.10246	4.1
199.09656	9.2
211.09641	20.3
211.13202	1.6
213.07567	1.4
229.04971	1.8
229.10744	2.8
239.09081	3.4
239.12798	23.3
257.04410	4.9
257.10202	1.7
257.13623	3.0
274.97528	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	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.3
55.95782	0.1
56.96565	8.7
58.96170	0.1
69.43267	0.6
71.95267	0.8
73.33267	0.1
85.45943	0.1
87.49289	0.1
92.65462	0.1
98.23513	0.1
98.97582	100.0
99.97913	0.4
100.19292	0.1
100.97182	0.7
100.97981	0.2
116.98621	37.7
117.98933	0.2
118.98225	0.3
118.99033	0.2
134.99657	7.6
135.79922	0.1
140.00168	0.4
153.00684	0.5
158.01228	0.2
174.97659	0.4
177.93350	0.1
181.97464	0.2
198.97601	0.2
216.98650	0.6
234.99770	0.5
240.98633	3.6
247.93945	0.1
258.99753	46.6
259.99939	1.5
261.03024	0.1
277.00803	45.3
278.00983	1.5
279.01215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35263	0.9
57.03208	0.9
98.97603	5.8
116.98619	1.9
149.05342	1.0
161.06001	1.7
213.05484	2.4
231.06548	2.0
258.99835	2.5
259.04282	100.0
259.16571	2.9
260.04590	1.3
277.00824	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79561	1.4
55.01867	16.8
55.02106	1.6
55.05518	4.5
57.03453	1.7
57.07067	4.1
67.05502	9.9
68.64347	1.5
69.03430	5.1
69.07066	17.9
69.19456	3.1
69.19848	6.3
71.04988	5.2
71.34002	1.4
79.05498	14.4
80.82658	1.4
81.06612	2.6
81.07060	21.8
83.04993	3.6
85.06545	18.7
90.42779	1.5
91.05494	6.7
93.07043	42.4
95.04992	5.4
95.08607	17.3
97.06523	19.6
98.23518	2.4
98.97589	2.3
99.04447	7.6
101.06019	2.6
105.07019	20.3
107.04973	1.8
107.08595	54.8
109.06510	14.0
109.10175	2.3
111.08083	7.1
113.06002	11.7
113.69829	1.3
116.71738	1.3
116.98655	2.1
117.07047	3.2
119.08571	13.0
121.06509	18.0
121.10149	30.8
121.10990	2.3
123.08084	9.2
125.05968	2.3
127.07590	1.7
130.07780	1.4
131.08577	1.8
132.75056	1.3
135.08028	8.8
135.11690	10.6
139.11189	3.5
145.10121	22.7
147.11688	2.3
149.09634	17.7
151.07585	7.7
163.11183	60.2
167.10672	41.7
169.08601	100.0
173.09631	5.1
181.12230	30.0
185.11736	16.8
190.95102	1.8
191.10669	38.4
199.13254	10.2
209.11710	39.4
227.12769	71.2
228.13190	2.4
259.20789	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.78361	6.4
55.05505	9.7
57.07066	8.2
59.89127	7.3
61.33797	6.9
67.02861	6.6
69.07054	32.8
71.04980	20.9
81.07068	15.2
85.06529	25.6
91.05482	9.8
93.00586	7.1
93.07028	17.0
95.08595	18.4
98.23458	15.9
102.54041	6.9
105.07030	35.4
107.08579	17.0
109.10180	11.3
111.08088	7.6
117.07000	12.4
119.08594	51.9
121.10147	11.4
123.11691	25.3
129.01813	8.8
131.08531	11.1
133.10124	31.2
135.07983	13.3
137.09647	7.0
145.10094	26.6
147.11661	19.0
149.09625	8.0
154.96864	8.2
157.10074	15.8
159.11684	30.7
161.13242	22.2
171.11653	13.9
172.71332	7.6
175.14828	90.6
185.13229	16.5
201.16351	19.4
206.88898	7.3
241.19521	25.2
259.20605	100.0
269.77759	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	261.0584
Annotation	Suprofen
Peak:m/z	Relative Intensity
52.71413	0.5
56.96564	2.9
62.89620	0.5
73.89238	0.6
78.27101	0.5
84.08134	1.1
84.96026	0.9
86.09692	0.6
98.96986	1.0
98.97590	15.4
102.96864	2.5
110.97560	3.1
115.90412	0.5
116.98626	5.1
120.97912	1.4
128.98589	2.4
134.99678	1.7
143.00262	0.8
144.78073	0.6
145.91959	0.5
146.99634	0.6
156.43295	0.5
158.99638	1.4
169.01117	2.6
170.99709	1.4
173.01186	0.6
177.00864	1.2
201.00829	0.6
201.03734	1.1
211.02136	1.6
219.01776	4.1
229.03188	10.5
237.02951	3.2
243.02411	0.6
243.04715	2.9
244.00671	0.5
260.07443	0.6
260.99777	2.2
261.03162	5.3
261.05804	100.0
262.03326	0.5
262.06128	2.3
278.96899	3.7
279.00641	1.6
279.03882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24235	18.8
71.65545	7.4
80.17316	7.1
80.79127	7.3
93.19450	7.4
119.01936	8.9
123.45314	9.1
134.49002	7.3
143.01944	11.6
161.02997	21.2
173.02982	8.4
234.71602	9.7
263.01666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29648	5.2
58.43681	5.3
59.28505	5.3
62.54678	5.5
70.24266	15.7
82.45631	5.1
89.83827	5.6
161.03001	6.4
189.25838	6.2
263.01663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81067	11.0
70.57784	19.1
70.58096	15.3
235.99925	13.7
241.39243	12.7
263.01633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0551
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
51.66825	0.3
55.01874	6.9
57.06689	0.3
65.03930	0.4
66.01085	0.5
68.99783	1.9
69.73036	1.3
70.17969	0.3
71.01067	0.3
71.01359	3.7
79.05483	1.4
81.03439	0.5
84.02096	0.7
86.62363	0.3
89.03428	0.3
89.03916	1.1
90.04698	1.2
91.05480	6.5
94.00546	0.9
94.04147	0.4
95.01335	5.1
95.04961	0.8
102.04691	0.6
103.05476	4.2
105.03381	1.0
105.07039	2.2
107.04971	1.0
108.05720	0.4
109.02838	0.5
110.00007	0.7
110.60387	0.4
111.04440	0.6
112.01591	1.7
115.05460	5.1
117.03410	0.4
118.04166	6.6
119.04941	18.3
120.02049	0.4
120.08051	0.5
121.02869	1.0
123.04421	0.4
124.01577	2.2
127.68722	0.4
129.03345	1.0
130.04121	0.6
131.04924	4.2
133.02838	4.3
133.06471	2.5
135.04404	1.2
136.05208	0.9
137.05946	0.7
138.03133	0.5
139.03914	0.4
142.93456	0.3
143.04961	2.5
145.02846	1.3
145.06458	0.3
146.02419	0.4
146.03615	10.6
147.04408	26.9
148.04996	0.8
149.02335	0.6
150.03117	9.4
151.03932	0.4
151.07523	0.4
152.01047	10.0
152.04651	0.8
153.01813	3.0
153.05460	8.4
157.02856	6.1
159.04395	5.1
161.02327	0.7
161.05975	9.8
162.03127	0.9
163.03880	4.1
164.04668	5.2
165.01859	1.1
165.05476	2.9
167.03395	1.8
171.04410	2.4
173.02400	0.5
174.01610	0.7
174.03125	14.0
175.03905	27.9
176.04672	4.1
177.01837	1.0
177.05429	0.8
178.01048	0.6
178.02605	9.2
179.03397	1.5
179.07018	5.0
180.00536	22.6
185.02321	2.7
187.03877	3.8
188.04675	1.3
189.05469	12.0
190.05902	0.4
191.03381	4.9
191.07053	0.5
192.04176	12.4
193.04950	6.4
194.02126	3.0
194.05263	0.4
195.02882	100.0
196.03197	1.7
199.03931	5.2
202.02608	24.7
203.03383	7.8
204.04163	3.3
205.01295	1.3
205.04930	1.4
206.02119	1.2
207.06508	14.2
209.04489	0.8
215.03435	0.8
217.04959	19.5
218.05321	0.5
219.02983	1.9
219.06517	5.2
220.03667	11.1
221.04411	2.7
222.01572	0.9
226.87096	0.4
227.03372	9.1
230.02097	17.2
231.02766	1.4
233.04344	0.7
234.05049	0.4
235.06009	20.0
236.06313	0.3
237.03889	1.0
245.04453	51.8
246.04733	1.2
247.02426	0.5
248.03191	3.3
263.05502	90.2
264.05899	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	263.0548
Annotation	Maclurin
Peak:m/z	Relative Intensity
50.01605	0.1
51.02364	0.4
53.00304	0.2
55.01878	0.1
69.03417	0.1
69.74982	0.3
79.01852	4.2
97.02902	1.0
104.99290	0.1
107.01321	1.0
107.03897	0.1
111.04443	0.1
116.07099	0.2
120.08131	0.3
120.50312	0.1
123.00780	0.2
125.01425	0.2
125.02346	2.9
143.03398	6.5
144.03586	0.1
150.81718	0.1
153.01825	100.0
153.02875	5.1
154.02167	1.1
154.03358	0.1
171.02985	0.1
195.02902	0.1
227.11806	0.1
233.33510	0.1
263.05569	1.1
263.13885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
65.62830	0.5
67.98161	1.1
70.98565	0.8
72.96037	1.0
74.97620	1.1
79.64145	0.5
83.97633	1.0
97.99200	0.6
98.97584	18.2
116.98622	6.7
122.07150	1.4
123.42688	0.5
134.99648	1.7
144.96828	1.5
149.02766	1.3
149.99812	0.5
153.01868	0.6
163.00789	0.8
165.02254	2.3
167.03841	1.5
167.68497	0.5
176.03842	18.1
177.02272	0.9
178.05396	32.0
179.05690	0.6
181.01723	1.0
183.03299	8.6
186.02180	0.9
186.31216	0.5
190.01720	1.2
192.03296	2.3
194.04880	5.0
194.40070	0.5
195.03207	0.8
196.03474	0.9
196.06468	16.5
200.10072	0.5
201.04356	3.6
202.10812	1.2
204.03317	10.8
208.02786	4.3
210.04340	1.5
213.71461	0.5
219.03336	1.2
222.04376	90.1
223.04703	1.8
226.03860	1.8
240.05423	63.4
241.05812	1.3
245.05940	1.9
249.35280	0.5
263.07034	0.7
264.05438	29.9
279.06644	0.7
282.06476	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	265.1437
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
53.03956	4.5
55.05522	8.9
64.42986	2.6
65.03940	6.4
67.05511	26.9
69.03432	34.1
69.07076	2.9
71.04989	8.4
79.05500	26.1
81.04546	3.3
81.07053	19.7
83.04988	8.1
86.67191	2.5
91.05486	50.8
93.03419	6.3
93.07055	44.2
95.04971	39.5
95.08620	18.3
97.02909	3.6
97.06532	4.3
99.04477	5.8
103.05460	4.4
105.07040	63.9
107.04981	5.9
107.08604	23.5
109.02895	4.5
109.06521	32.0
109.10146	10.0
111.04453	30.3
111.08068	7.0
113.05996	19.6
115.05489	5.4
115.36349	3.1
116.06217	3.8
117.07031	18.1
119.04964	3.6
119.08591	100.0
120.08134	5.6
121.02878	12.2
121.06514	49.1
121.10170	11.4
122.07159	31.3
123.04401	4.0
123.08058	28.5
128.06238	7.1
129.07018	18.2
130.07796	9.9
131.08568	40.6
133.06508	10.1
133.10123	16.4
135.08072	87.6
135.09082	5.7
135.79071	2.7
137.09621	12.3
139.03928	12.6
139.07597	10.0
141.06999	10.6
142.07797	13.0
143.08621	15.2
144.04747	7.3
144.05797	3.7
144.09370	10.0
145.06494	15.7
145.10114	29.9
147.08060	38.5
147.11723	15.7
149.05986	6.5
149.09587	13.6
151.07550	7.2
153.01846	18.9
153.09100	3.4
155.08603	10.3
156.09372	10.1
157.10126	20.9
158.07254	20.9
158.10968	7.1
159.08069	36.0
159.11691	36.6
161.06013	5.9
161.09630	45.4
161.13275	5.5
165.09135	36.4
166.85280	2.8
168.09401	6.1
169.10138	4.4
171.08060	13.3
171.11684	11.6
172.08830	20.0
173.09618	20.4
173.13243	20.2
175.07559	62.6
175.11188	35.9
181.06554	4.2
183.11719	17.1
185.09639	10.0
186.10355	6.8
187.11182	43.0
189.09134	11.3
189.12709	15.4
191.07030	3.9
193.08617	19.9
196.08813	6.9
199.11153	17.7
201.12744	38.4
203.10672	54.5
205.04942	3.1
205.12267	7.4
207.10217	3.6
211.11200	25.2
217.12256	26.8
219.13785	13.6
221.11649	3.5
229.12230	30.7
235.13350	11.1
247.13217	64.4
265.11383	6.0
265.14426	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03959	3.4
55.01877	2.2
55.05516	6.6
57.03440	19.4
57.03728	1.0
60.37527	0.6
67.05510	11.0
69.03423	1.6
69.07060	2.3
71.05001	1.9
75.48984	0.6
77.03979	0.8
79.05501	12.8
79.18319	0.6
81.03422	100.0
81.07064	12.8
82.03761	0.9
83.04996	6.2
83.08629	11.8
85.02905	0.8
85.06533	1.2
91.04940	1.2
91.05486	17.1
93.07041	9.1
95.04970	20.5
95.08616	4.8
96.81170	0.6
97.02888	2.9
97.06542	1.4
97.10176	2.2
98.98466	1.3
99.08067	0.7
102.49123	0.6
104.99283	0.9
105.07030	14.6
107.04969	4.8
107.08607	3.6
109.06515	3.6
109.10152	1.2
111.04425	1.5
111.08088	6.3
117.07009	1.1
119.04910	1.1
119.08592	12.3
121.06500	2.2
121.10158	5.1
123.08049	2.1
129.07025	6.7
131.08569	6.9
133.06468	3.4
133.10149	3.5
136.06207	0.8
137.05962	2.6
137.09656	1.7
142.07779	1.9
145.10071	1.3
147.08025	1.9
147.11688	7.4
149.09653	3.6
149.12236	0.6
157.10123	8.3
159.11644	0.8
163.11159	1.0
165.12732	2.0
175.11194	9.0
193.12256	21.4
194.12595	0.6
205.12183	0.9
211.13298	3.9
223.13289	1.0
249.14839	2.3
267.15866	62.6
268.16202	2.1
268.22345	2.9
268.25073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Canusesnol F
Peak:m/z	Relative Intensity
52.82035	1.7
55.05511	9.4
57.03424	5.9
57.07073	2.1
59.05000	24.2
65.03934	3.2
67.05504	18.4
67.44621	1.8
69.03426	43.4
69.07063	3.7
71.04990	3.5
71.35824	2.1
79.05491	14.7
81.03419	27.7
81.07059	25.3
83.04981	12.9
83.08613	7.9
85.02905	4.9
85.06535	12.9
86.58773	1.6
91.05499	12.9
93.07040	18.0
95.04968	11.4
95.08603	12.6
97.06521	3.1
98.98476	3.3
99.04497	2.3
99.93653	1.8
104.99236	2.4
105.07020	21.6
107.04888	2.0
107.08582	18.2
109.06528	8.4
109.10143	10.1
111.04446	12.1
111.08085	3.1
113.06010	3.1
114.67348	1.7
117.07034	4.0
119.08576	41.5
121.06502	33.8
121.10133	11.4
123.08061	13.3
125.09619	3.0
128.06244	2.7
129.07022	4.4
131.08582	6.8
133.06404	2.8
133.10123	17.2
135.08032	5.3
135.11703	6.0
136.06184	3.7
137.09619	8.4
138.24947	1.9
139.11200	3.1
143.08556	8.7
145.06516	2.3
145.10101	25.0
147.08040	25.0
147.11671	7.7
149.09644	7.3
151.07504	3.4
153.09062	4.7
156.09366	2.4
157.10114	5.5
159.11656	5.1
161.09621	29.5
161.13226	6.6
163.11172	27.1
165.09145	5.7
165.12784	3.3
167.10632	3.7
168.10257	2.5
169.08600	5.6
169.10016	2.3
171.11676	7.1
173.09631	11.9
175.11169	8.1
175.14841	12.2
179.10619	2.6
181.12157	2.5
182.15424	3.9
183.07954	1.8
185.13293	16.0
187.14868	3.8
189.09138	2.1
189.12769	16.0
193.12277	8.0
195.11705	4.0
198.10281	2.1
203.14317	32.6
205.15865	3.2
210.14903	2.0
213.10854	2.9
213.12755	22.2
221.15370	7.7
222.04492	1.8
231.13786	100.0
232.14142	2.1
239.16522	5.0
249.14851	50.0
267.15845	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01870	0.3
56.74217	0.1
57.03436	0.3
65.31268	0.1
69.03452	0.2
71.01362	0.2
71.04992	0.4
73.02926	0.2
76.04737	0.1
85.02911	0.6
89.06017	1.2
94.04045	0.4
97.02914	0.2
98.22514	0.2
100.93900	0.2
115.91328	0.2
119.03542	0.7
136.06184	100.0
137.04660	0.3
137.06538	0.6
145.04984	0.2
194.14130	0.2
206.56662	0.1
228.85100	0.2
250.92070	0.2
268.10403	6.7
268.16434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11882	0.6
69.57570	2.4
73.08023	0.6
76.40210	0.6
94.09989	0.7
94.93004	0.9
100.80061	0.6
118.45370	0.6
136.94034	5.3
162.95561	2.9
176.50835	0.5
222.97774	0.7
237.15077	0.6
250.97217	1.1
268.98242	100.0
269.98645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.9
67.05516	20.8
69.03417	8.2
69.07068	19.2
69.56978	17.0
71.04991	5.9
79.05485	37.5
81.07043	34.3
83.04967	23.2
83.08606	7.2
85.06550	7.2
91.05483	33.0
93.07048	49.1
95.04974	24.5
95.08592	27.7
97.02893	6.6
97.06522	31.9
99.04448	11.2
105.07034	66.0
107.04947	29.6
107.08599	42.0
109.06527	27.2
109.10155	8.5
109.88160	3.6
113.06017	4.8
117.07038	18.9
119.04946	9.3
119.08566	15.8
121.06506	30.6
121.10165	8.9
123.11674	4.0
123.94579	4.3
125.05981	39.0
125.34480	4.0
130.07791	6.3
131.08580	16.7
133.06499	16.1
133.10175	7.9
135.08070	16.0
135.11681	21.7
137.05983	11.2
139.07619	8.6
141.06961	3.9
143.07021	13.8
143.08575	6.6
144.09358	7.5
145.06506	8.7
145.10120	74.8
147.08038	4.1
147.11693	11.0
151.07516	6.1
158.07283	6.2
159.08115	8.7
159.11664	38.9
161.13275	6.4
163.07516	4.3
163.11185	100.0
169.10127	12.7
171.11794	6.2
173.09619	57.7
177.12663	6.0
179.08549	6.6
181.12233	33.0
182.07199	4.6
187.11194	47.5
191.10623	25.9
197.09592	19.8
199.83269	4.0
205.12262	20.3
209.11734	9.7
215.10692	69.4
227.12762	11.7
233.11728	44.7
246.07289	4.4
251.12712	24.9
261.25922	3.6
269.13510	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	269.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11038	9.3
55.05517	11.0
59.17744	7.8
65.03985	8.8
67.05509	26.9
69.03437	10.4
69.07071	30.7
71.05013	20.8
71.14612	9.1
71.78963	8.5
79.05499	38.7
81.07066	43.0
83.04980	19.2
83.98942	9.2
86.82865	9.2
91.05493	36.2
93.07052	62.3
95.04995	17.7
95.08617	41.1
97.06549	46.9
98.22685	19.0
105.07052	72.8
107.04935	27.9
107.08608	41.7
109.06550	23.0
109.10168	10.7
117.07037	12.7
119.04968	12.4
121.06490	36.9
125.06017	32.3
127.07590	9.6
129.07033	11.3
131.08582	15.4
133.06447	12.9
135.11713	18.3
137.06071	11.0
139.07545	12.1
143.07077	16.7
143.08577	12.8
144.09348	17.2
145.10133	82.5
147.11671	9.9
159.11711	41.3
163.11211	100.0
169.10173	14.9
173.09645	71.2
179.88797	9.1
181.12193	25.5
187.11214	55.4
191.10713	32.0
197.09633	27.6
205.12259	41.0
215.10686	77.2
226.65536	9.3
227.12820	19.8
233.11748	33.6
251.12791	24.1
292.70764	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.1
67.05494	25.1
69.03443	9.9
69.07053	23.6
70.63702	19.3
79.05489	33.6
81.07045	48.0
83.04979	34.7
85.06520	19.3
91.05470	25.6
93.07032	58.1
95.04974	27.8
97.06516	43.3
99.04427	13.2
105.07030	61.0
107.04967	18.2
107.08578	38.3
109.06488	31.6
117.07034	18.5
119.04950	20.9
121.06493	41.1
125.05985	53.6
127.07541	23.7
131.08592	26.3
131.55177	12.1
133.10153	13.8
135.11705	16.0
139.07529	21.7
145.10120	100.0
147.11646	14.0
157.08582	28.5
159.11678	35.4
163.11214	77.9
169.10179	13.1
173.09616	44.3
187.11227	72.4
191.10672	17.0
197.09583	15.8
199.62122	9.6
205.12250	62.1
215.10687	77.3
233.11615	23.4
269.13583	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.58370	1.6
53.03943	1.7
55.01879	2.3
55.05516	19.5
57.03177	3.0
57.03442	39.1
57.07067	6.5
57.28788	1.9
65.03951	3.2
65.16622	1.8
67.05513	75.9
69.07077	29.4
70.11597	4.0
70.11929	2.0
70.90919	1.9
71.04996	7.6
71.48463	1.7
77.71638	1.8
79.05504	45.5
81.07066	100.0
83.04993	15.2
83.08624	21.4
85.06564	6.5
91.05487	18.1
93.07051	77.7
95.04974	6.3
95.08619	24.7
97.06544	16.6
97.10196	3.4
98.22706	1.9
98.23241	3.2
99.08099	5.1
104.99283	26.2
105.04468	2.7
105.07021	8.6
107.07925	3.2
107.08611	39.7
109.06532	2.9
109.10176	7.0
111.08118	10.5
113.09654	2.3
117.07010	9.9
119.08562	2.1
121.10149	24.6
123.11718	2.5
124.97795	1.8
131.08592	10.4
131.99544	1.7
133.10112	12.1
135.08055	3.7
135.11708	11.5
139.11118	2.1
147.11693	2.1
149.12094	4.0
149.13266	60.0
159.11734	22.0
177.12767	12.2
186.99522	7.0
195.13840	22.9
251.20044	3.4
269.17484	60.8
292.12537	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.05522	21.9
57.03446	38.9
57.07075	8.1
67.05512	78.4
69.07077	39.6
71.05006	6.0
79.05502	49.2
81.03423	3.1
81.07066	100.0
83.04980	11.7
83.08633	20.0
85.06546	5.9
88.04712	2.5
91.05494	23.0
93.07053	74.4
95.05003	6.0
95.08622	27.4
97.06541	19.8
99.08073	4.8
104.99292	10.0
105.07059	8.1
107.08609	40.7
109.06547	3.3
109.10206	4.1
111.08088	11.8
113.06046	2.7
113.09715	3.5
117.07066	9.7
119.08618	6.4
121.02879	11.4
121.06510	13.2
121.10157	24.2
123.11736	4.3
131.08606	11.2
133.10149	10.4
135.08182	2.3
135.11729	15.7
147.11743	4.2
149.13274	54.1
159.11697	23.1
174.97781	2.4
177.12790	12.7
177.78043	2.6
195.13773	15.1
225.54872	2.5
245.06783	2.4
269.17477	77.0
269.21988	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01869	4.3
55.05258	2.0
55.05512	25.6
57.03436	37.9
57.07070	3.4
65.03919	1.5
67.05504	82.6
69.07066	31.8
69.58716	1.0
69.86104	3.1
69.86456	1.4
71.05007	6.3
77.03917	1.4
79.05489	46.4
81.03409	2.9
81.07055	100.0
82.07417	1.3
83.04973	8.6
83.08618	17.0
83.76680	1.2
85.06534	8.2
85.81208	1.1
91.05479	21.7
93.07043	80.1
95.04975	8.5
95.08603	26.2
97.06524	16.4
97.10177	2.3
99.08086	4.4
104.99261	3.2
105.07014	8.8
107.08595	36.8
109.06539	3.4
109.10165	4.8
111.08069	10.1
113.09654	1.9
117.07014	10.7
119.08584	4.4
121.06540	1.5
121.10147	27.8
123.11729	1.9
131.08565	8.8
133.10129	9.5
135.08098	2.1
135.11687	11.2
139.11163	3.5
147.11665	2.0
149.13246	56.5
151.11133	1.5
159.11694	24.7
161.13196	1.5
167.14299	1.2
177.12755	14.8
195.13792	17.5
201.94206	1.3
269.17477	73.1
269.22733	6.6
270.17905	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	2.4
55.01864	3.3
55.05515	18.3
57.03437	35.5
57.07061	3.5
65.03943	1.4
67.05503	78.6
69.06711	2.2
69.07066	30.7
69.87829	2.2
69.88176	2.1
70.07416	1.5
71.04993	7.9
71.08606	1.1
79.05492	45.7
81.03403	2.3
81.07056	100.0
81.10426	0.9
82.07385	1.7
83.04978	11.5
83.08624	20.0
85.06534	6.2
89.54967	1.0
91.05474	21.0
93.07043	75.5
95.04987	5.9
95.08609	28.0
97.06535	16.2
97.10165	2.0
98.22744	1.4
99.08095	5.0
103.75321	1.0
104.99278	2.5
105.04505	1.6
105.07034	8.5
107.04984	1.2
107.08595	37.8
109.06495	2.5
109.10148	4.7
111.08083	10.4
113.05988	2.1
113.09637	1.8
113.21828	0.9
117.07018	8.0
119.08588	2.0
121.06463	1.9
121.10145	23.2
123.08117	1.3
123.11684	1.5
127.07519	1.2
131.08572	8.1
133.10123	10.2
135.08049	2.7
135.11696	9.4
139.11162	3.1
147.11664	2.8
149.09612	1.7
149.13251	58.8
150.13628	1.2
151.11230	1.2
159.11699	23.4
167.10770	1.0
167.14372	1.4
177.12718	11.5
195.13799	18.5
213.14919	1.7
238.99550	1.3
269.17468	64.7
269.22287	1.6
270.17792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
52.88140	1.3
57.07082	1.6
58.06591	3.2
59.75107	1.1
60.70533	1.1
69.14046	1.2
71.08620	1.2
79.05458	2.0
81.05780	1.7
81.07065	2.0
94.06561	1.9
96.08131	3.2
99.08106	1.0
100.07610	2.2
104.07105	1.9
106.06547	2.1
108.08121	11.4
122.09657	2.3
131.53136	1.0
134.05998	2.4
136.07564	1.8
142.07750	1.3
157.10197	1.7
158.09633	2.1
168.08165	5.0
168.09401	1.1
169.08839	4.5
172.07637	2.1
173.90863	1.3
181.10159	2.1
182.09697	2.6
183.10403	6.6
185.10796	2.5
186.11540	1.6
196.07578	4.7
197.08363	10.3
198.09210	1.5
198.12764	6.3
199.08624	7.5
199.12270	2.0
200.13084	1.5
210.09119	1.9
211.09940	16.7
213.10219	16.2
214.11064	5.9
215.15445	4.1
225.11401	1.1
225.13986	2.6
226.12303	39.7
227.11739	18.3
228.12578	28.1
242.10541	2.0
242.14108	1.4
243.14932	25.0
253.13385	4.8
254.11679	2.2
254.24763	4.7
255.11273	16.0
256.12076	21.4
271.06366	2.2
271.14420	100.0
272.14807	3.3
272.25821	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	271.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32574	4.2
55.01864	6.4
55.05522	12.1
57.07057	6.1
59.57256	4.5
67.05511	18.1
69.07076	16.0
69.17079	28.4
71.04986	5.4
75.20741	5.0
78.61932	6.0
79.05521	24.2
81.07066	60.3
83.04988	15.3
83.08624	7.8
85.06532	4.8
86.40500	6.5
90.23943	4.7
91.05496	18.5
93.07056	71.2
95.04971	13.8
95.08623	31.4
97.06557	25.2
99.04465	16.5
105.04488	5.3
105.07043	39.9
107.04978	5.7
107.08624	38.8
109.06532	31.4
109.10131	8.9
111.08102	8.6
117.06982	8.5
118.29747	4.4
119.08596	27.0
121.06513	78.1
121.10182	8.3
121.69849	4.3
123.08060	6.0
123.11705	7.6
125.06021	4.9
127.07561	17.8
129.06990	6.2
131.08597	5.6
132.66351	4.6
133.06508	7.6
133.10152	11.0
135.08070	22.6
137.05974	5.2
138.12790	4.7
139.07527	33.2
142.07829	7.4
143.08582	8.5
145.10118	8.9
147.11719	55.4
149.13243	8.6
157.08736	5.6
157.10147	21.8
161.13268	10.6
165.12801	26.3
171.07954	5.1
171.11661	22.1
173.09566	6.9
175.11232	36.5
183.13823	4.5
189.12737	33.5
193.12271	25.4
199.11203	25.9
207.13885	21.8
209.15347	7.6
217.12259	100.0
226.97847	4.8
229.14328	7.6
235.13286	97.2
235.15407	8.1
253.14371	34.8
271.06134	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	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01869	4.9
55.05508	9.2
63.31748	1.4
67.05502	15.2
69.03426	1.7
69.07063	12.7
70.34521	2.2
70.34867	2.6
71.04999	10.3
77.03918	2.3
79.05493	20.0
79.09632	1.3
81.07056	39.8
83.04976	17.5
83.08629	13.8
85.06551	6.0
91.05486	15.9
93.07043	55.8
94.07396	1.6
94.50459	1.5
95.04980	16.2
95.08601	30.7
95.24124	1.4
97.06531	33.7
99.04456	17.2
101.06017	1.6
103.12280	1.4
105.07027	29.7
107.04964	2.8
107.08597	25.1
109.06516	30.8
109.10146	3.7
111.08086	9.6
113.06028	5.1
117.06963	2.6
119.04939	3.1
119.08570	22.0
121.06501	87.5
121.10135	5.1
123.04428	4.7
123.08080	4.5
123.11721	4.5
125.05984	20.4
127.07553	10.2
129.07024	4.0
131.08566	5.1
133.06471	3.6
133.10136	18.1
135.04456	3.4
135.08029	11.4
137.06009	4.7
139.07535	26.2
141.05450	2.3
142.07791	3.4
143.07037	18.9
143.08527	9.7
145.10106	7.3
147.08037	3.5
147.11681	48.6
149.13210	3.5
151.11224	3.2
156.09375	3.6
157.06528	1.8
157.08604	15.0
157.10124	15.0
159.06520	6.0
161.09680	1.8
161.13237	12.9
163.14868	1.7
165.07045	1.8
165.12766	16.5
166.07813	3.0
171.11676	15.8
173.09604	3.3
173.13289	2.4
175.11182	27.3
181.10141	3.6
184.08716	1.6
189.12735	24.5
193.12231	32.6
199.11180	26.1
207.13800	18.9
211.13286	24.4
217.12233	100.0
225.14934	2.4
235.13280	85.8
236.13689	2.8
253.14340	62.8
271.06033	3.5
271.15399	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	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03947	0.7
55.01854	0.6
57.03440	1.4
58.83922	0.5
61.02923	2.7
65.03934	1.6
67.51987	0.4
69.03432	3.8
73.02906	1.1
73.63522	0.4
81.03412	2.0
82.62602	0.4
85.02905	19.3
87.04449	0.5
87.76318	0.4
91.03951	0.8
92.05009	5.0
92.79649	0.4
93.03400	0.6
97.02888	5.6
98.54606	0.4
98.97609	1.4
99.04504	0.9
103.03924	0.5
106.06547	3.1
109.02873	0.8
109.05244	1.6
110.06041	100.0
111.06389	1.3
116.98624	0.6
120.04478	0.9
122.06033	4.1
127.03938	3.9
134.06017	7.7
145.04936	3.0
146.05983	0.7
152.07086	3.7
153.01816	0.7
172.07594	0.5
176.07065	2.0
188.07086	0.5
218.08127	0.6
218.43498	0.5
226.15494	0.5
236.09171	1.4
254.10265	3.4
272.11414	3.0
272.16019	0.8
274.93250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03944	0.4
55.01892	0.2
56.96566	0.7
57.03427	1.0
61.02933	1.1
65.03943	4.9
67.05499	0.4
69.03438	2.8
71.05003	0.3
72.09567	0.3
73.02911	0.9
74.75298	0.3
80.05009	0.7
81.03410	1.1
85.02905	7.8
85.88547	0.2
87.04461	0.8
91.03963	0.5
92.05004	59.5
93.05348	0.5
93.05801	4.9
94.05990	0.5
94.06569	9.1
95.06081	0.5
97.02897	2.0
98.97594	1.6
99.04477	0.4
101.02356	0.5
102.65228	0.3
103.03918	0.5
104.85722	0.2
106.06562	0.4
109.02891	0.8
110.06042	100.0
110.07098	2.5
111.06367	1.3
116.98617	0.5
127.03900	1.7
145.04926	0.9
152.07063	2.6
153.01892	0.3
163.12297	0.4
176.07054	0.2
186.62502	0.3
191.03835	0.3
212.09216	0.5
213.06157	0.3
226.15506	0.4
227.02235	0.3
236.09210	0.3
254.10225	3.0
254.14838	0.5
272.11276	34.6
272.16064	2.4
273.09106	1.6
273.11954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75318	0.3
56.96569	1.8
60.20518	0.4
69.75256	1.4
84.08143	0.7
93.05335	0.6
97.02861	0.4
98.97583	5.9
107.41517	0.4
109.02784	0.5
110.06039	0.8
111.06372	0.6
114.73451	0.4
116.98619	2.8
134.99655	0.9
153.01849	5.5
153.03000	0.4
219.01898	0.7
232.96527	0.5
237.02895	1.2
241.03893	0.4
250.04192	0.4
250.54407	0.7
273.09442	100.0
274.09787	2.1
290.94760	1.5
294.67395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0968
Annotation	alpha-Arbutin
Peak:m/z	Relative Intensity
53.03941	2.9
55.01864	2.1
55.05511	15.6
57.03438	4.7
61.02914	1.2
65.03947	0.6
67.05498	1.8
69.03062	1.1
69.03429	15.8
69.07088	0.5
69.17536	1.2
69.17931	2.1
71.01345	2.4
71.04993	8.3
73.02925	1.4
75.04473	1.4
79.05489	1.9
81.03418	8.6
81.07049	0.8
83.04979	100.0
84.05311	1.9
85.02899	21.9
85.06535	0.8
87.04466	1.1
91.05482	1.4
93.07045	1.1
95.01302	0.6
95.04059	0.5
95.04981	3.6
97.02890	27.6
97.06509	1.0
99.04456	6.6
101.02371	0.7
101.05994	2.5
105.07040	0.6
107.04953	1.4
109.02878	5.3
109.10149	0.6
111.04441	30.8
113.05993	0.6
115.03900	0.9
117.06998	0.5
119.04961	2.5
121.02824	0.5
121.06490	0.9
123.04406	4.0
125.02336	0.9
125.06001	1.1
125.09641	0.6
127.03918	13.9
129.05478	6.2
135.04425	0.9
135.08101	0.6
137.06012	1.5
139.03865	0.9
141.05464	0.8
145.04994	2.3
147.06549	0.7
147.08029	0.6
149.02419	0.8
149.05983	1.3
151.03935	1.6
153.05467	2.0
157.04990	0.9
163.07472	0.6
165.05565	1.3
167.80492	0.6
169.04970	1.5
173.04550	0.7
177.05495	0.8
202.42458	0.6
207.06476	1.1
209.08231	0.7
225.07533	0.7
225.32547	0.6
227.09225	1.0
237.07446	0.8
240.10193	0.5
255.08670	5.5
273.09686	3.6
273.12430	2.6
273.18478	0.7
289.52768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01883	1.5
55.05513	13.8
57.03183	0.4
57.03441	5.3
58.18193	0.3
59.05005	0.5
61.02924	1.1
65.03928	0.5
67.05504	0.9
69.03062	0.7
69.03432	11.6
69.07079	0.4
71.01353	1.6
71.04999	6.8
71.22529	0.4
73.02927	1.4
75.04481	1.4
79.05497	1.4
81.03417	7.4
81.07034	0.7
83.01346	0.3
83.04983	100.0
83.08623	0.5
84.05303	1.6
85.02908	19.7
85.06506	0.3
87.04472	1.2
88.02233	0.3
91.05494	0.7
93.07057	0.9
95.04964	2.8
97.02897	20.0
97.06540	0.9
99.04465	5.7
101.02322	0.4
101.06038	2.3
103.03989	0.5
107.04948	0.6
109.02882	5.7
109.06544	0.6
111.04446	30.2
113.02383	0.6
113.05991	0.5
114.03758	1.6
115.03953	0.4
119.04961	0.5
121.06494	0.5
123.04416	2.1
125.02367	1.0
125.06040	0.6
127.03927	11.3
128.10686	0.4
129.05472	7.0
129.06320	0.5
135.04428	0.6
135.08066	0.5
137.05984	0.8
144.06599	0.3
145.05017	1.6
147.06570	0.6
149.06033	1.2
151.03911	0.5
151.07524	0.4
153.01862	0.4
153.05476	1.0
163.07576	0.5
167.07100	0.4
169.04936	0.9
170.06384	1.5
173.04475	0.8
177.05498	0.4
191.06989	0.4
195.06584	0.3
207.06557	0.3
209.08333	0.4
227.09023	0.6
237.07600	0.5
255.08681	4.3
255.17110	0.6
273.09662	3.5
273.12466	0.7
273.18304	0.7
274.16452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77570	0.8
59.18169	0.6
65.99593	0.7
67.05498	0.7
70.06586	0.9
73.71254	0.7
79.05492	5.4
81.07047	2.2
91.05478	2.3
93.07034	5.4
94.06588	4.6
95.04967	1.6
95.08611	1.3
96.08126	3.7
98.22743	2.6
98.97578	1.5
103.05471	4.9
105.04565	0.7
105.05763	1.6
105.06997	0.8
108.08116	0.9
116.98610	1.3
118.06542	1.5
119.07307	1.2
120.08104	53.1
122.06032	2.2
122.09668	3.0
124.07587	14.2
126.09176	3.4
134.99640	0.7
136.07532	1.3
138.09181	0.9
145.06496	0.8
145.10098	1.1
148.07567	100.0
149.08252	3.0
150.09154	10.3
151.76421	0.7
160.07663	0.8
186.09036	0.9
187.52621	0.8
200.10703	2.7
202.12357	0.8
245.16499	8.5
255.17406	0.9
273.15976	47.5
273.26117	10.6
274.16321	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	274.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95133	0.3
54.98651	0.5
56.96572	8.4
69.41964	1.1
71.95265	0.4
89.68411	0.3
98.23338	0.7
98.97590	100.0
99.97937	0.4
116.98631	34.0
118.80877	0.3
130.93318	0.7
134.99664	6.4
140.00273	0.4
154.93390	0.3
172.94376	5.5
182.41286	0.3
190.95416	2.5
208.96404	0.4
210.89026	0.3
214.95393	3.2
228.90106	0.3
230.98511	0.4
232.96489	4.5
250.97482	1.7
256.96463	16.2
270.91113	0.8
274.97522	71.8
275.97861	0.9
276.28989	0.3
288.92255	0.9
292.98581	31.4
297.99155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21093	3.4
56.96558	10.1
69.37672	20.3
76.71029	3.3
93.27974	4.7
98.97587	100.0
102.14916	4.1
105.58090	3.3
115.05473	4.3
116.98624	40.3
130.12283	10.7
131.04909	11.7
134.99660	6.5
153.01836	4.1
159.04451	16.0
176.04785	7.4
179.03394	3.9
187.03952	14.9
203.03436	4.2
204.04257	5.1
205.05002	7.0
206.18500	4.0
215.03374	11.3
216.04297	7.5
219.06532	10.5
232.03729	4.8
232.96399	8.6
233.04405	7.2
247.05914	28.7
256.96445	18.2
257.04630	4.1
274.97540	73.4
275.02017	7.4
275.05566	33.3
292.98657	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	275.0553
Annotation	Altenuisol
Peak:m/z	Relative Intensity
51.02413	0.3
53.03949	0.7
55.01875	5.4
57.03443	0.4
65.03953	0.7
67.05502	0.8
68.99803	1.3
69.03435	1.4
71.01359	0.5
71.05003	2.0
73.02918	0.4
77.03955	1.0
78.04715	0.8
79.05502	0.8
81.03421	0.5
85.02906	0.8
89.03910	0.6
91.05482	3.4
92.06277	0.4
93.07072	0.5
94.37280	0.3
95.04974	2.5
95.08611	0.8
97.02906	1.2
98.22933	0.4
98.97574	0.8
102.04698	2.7
103.05476	10.0
104.06293	0.5
105.03384	1.0
105.07040	1.2
106.04171	0.9
107.04966	0.8
109.02887	1.0
113.06011	1.3
115.05462	6.8
116.98602	0.7
117.03387	0.7
117.07030	2.3
119.04952	2.0
120.05744	2.9
121.06503	0.9
123.04410	1.6
127.03941	0.8
127.05405	0.7
128.06239	1.3
129.07028	1.8
130.04158	4.8
130.05043	0.5
131.04939	48.8
131.07034	1.5
132.05620	1.3
133.02858	1.2
133.06487	0.8
134.02753	0.5
134.03625	2.6
135.08067	0.6
136.01540	0.6
141.03360	0.6
142.04164	0.7
143.04962	2.3
144.05711	0.7
145.02870	1.6
145.06487	4.9
146.03693	0.4
147.04422	3.8
148.05205	4.0
149.06006	3.4
150.03149	1.7
151.03914	9.3
155.04921	3.6
155.06049	1.5
157.06464	3.4
158.03651	4.7
159.04427	59.8
160.05188	2.8
161.02367	0.8
161.05986	1.5
162.03136	7.8
163.03824	0.6
163.07553	1.1
165.01854	0.8
167.03409	0.7
169.02911	1.3
170.03670	1.4
171.04413	5.8
172.05183	0.5
173.02371	1.0
173.06018	3.9
174.06834	0.4
175.03874	2.6
175.07614	0.8
176.04695	29.6
177.05478	10.3
177.06908	0.3
178.02594	0.4
179.03395	12.5
183.04428	0.9
185.02414	0.8
185.05995	1.2
185.64835	0.4
186.03154	6.9
187.03911	48.6
188.04677	3.5
189.01927	0.5
189.05438	0.6
190.02615	5.4
191.03351	1.4
191.07039	11.9
193.04987	1.2
197.02322	1.4
198.03105	0.9
199.03914	3.9
200.04810	0.5
201.01778	0.4
201.05455	5.9
202.02582	0.9
202.06310	0.7
203.03403	7.0
203.07098	1.9
204.04189	23.0
205.04973	38.6
206.02090	0.7
206.05319	1.0
207.02881	6.0
211.03978	0.6
214.02609	6.0
215.03401	32.1
216.04181	14.6
217.04840	2.1
218.02112	5.9
219.02966	1.4
219.06532	46.6
220.06935	0.7
221.04483	0.7
225.01901	0.5
226.02612	2.3
229.04965	14.6
230.05591	1.2
231.02937	4.6
231.06490	4.4
232.03673	13.9
232.05489	0.2
233.04451	29.9
234.04941	0.5
235.02425	0.4
242.02167	2.8
243.02896	5.9
245.04262	0.5
246.05328	3.0
247.06030	72.3
248.06335	1.8
251.05547	7.1
257.04462	17.0
258.04779	0.7
260.03168	10.4
261.03806	0.5
275.05508	100.0
276.05948	2.2
293.06604	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	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
70.41285	15.2
82.16451	7.9
82.74368	9.1
119.05134	9.8
134.31885	9.5
147.58182	8.8
154.97188	9.8
177.65050	8.2
178.44322	8.9
196.55411	9.6
224.80246	8.4
259.02570	16.5
277.03253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	selenoneine
Peak:m/z	Relative Intensity
52.17440	8.4
53.87451	9.2
69.79205	38.2
72.14698	11.7
99.70453	9.7
111.84474	10.6
145.46452	10.9
224.67581	11.8
277.03207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40220	2.7
56.96555	6.1
57.07061	4.0
63.10693	2.9
66.69419	2.8
66.97041	3.1
70.14281	8.5
92.57732	2.8
98.96980	6.0
98.97582	72.2
110.97579	20.9
116.98640	27.6
128.98611	15.5
134.99657	6.0
146.99648	7.2
149.02351	22.8
158.99625	28.3
170.99617	10.0
177.00714	36.4
189.00711	22.0
193.00322	3.2
207.01785	9.1
219.01730	4.0
237.02748	8.0
279.04782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03938	1.9
55.01865	0.8
57.03427	1.7
57.07074	13.4
60.85789	0.5
61.02920	0.7
65.03937	1.2
69.03426	7.5
69.67571	1.2
71.04996	6.8
79.01859	6.8
81.03419	6.2
85.02904	11.1
89.06031	32.3
91.05489	0.7
95.04910	0.6
97.02891	7.1
98.23499	0.5
99.04439	2.4
103.05473	1.3
107.01314	1.5
109.02877	6.8
110.03669	1.0
111.04436	0.5
115.03917	0.7
115.05443	0.5
116.01614	0.6
117.09083	0.7
121.02866	4.3
121.03997	1.0
123.04418	2.8
125.02349	4.1
127.03908	10.4
131.04898	3.4
135.06528	0.8
143.03397	7.2
145.04926	2.8
147.04434	1.6
149.02338	96.8
150.02718	0.7
150.88141	0.5
153.01825	100.0
153.02916	6.7
154.02176	1.3
159.04362	3.7
161.06027	1.0
162.02182	0.7
163.03893	2.4
165.05502	1.3
167.03372	1.5
171.04459	0.7
175.03882	0.9
177.01865	1.1
177.05429	2.0
179.03462	0.7
181.01341	2.3
187.03914	2.3
189.05582	0.6
191.03372	0.9
193.05014	0.7
205.04961	3.5
205.08617	1.0
207.02849	1.3
215.03387	3.0
217.05049	0.8
219.02946	0.9
221.04512	1.0
233.04427	4.1
233.08101	0.6
234.04684	0.6
243.02899	1.1
251.05309	0.6
261.04034	1.2
279.04990	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	281.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01654	0.2
55.01872	2.4
65.03944	0.4
67.05485	0.5
68.99778	1.6
71.01357	6.4
73.02895	0.4
79.05498	0.7
81.03407	0.8
81.23468	0.2
83.04933	0.3
89.03909	0.3
91.05484	4.4
95.01347	0.7
95.04958	1.4
97.02898	7.9
98.23076	1.9
103.05466	2.3
105.03380	0.7
105.07048	0.5
107.04965	1.3
109.02885	0.8
111.04436	0.4
115.05451	1.1
118.04183	2.2
119.04950	16.9
120.05311	0.3
121.02839	0.6
122.07145	0.4
123.04468	2.3
123.07945	1.4
127.03982	0.3
129.03397	0.3
131.04976	2.1
131.05829	0.4
133.02867	3.4
133.06464	0.8
134.03630	0.3
135.04388	0.8
136.01564	1.3
136.05264	0.4
136.06189	1.6
137.02359	0.3
137.05951	0.6
138.03116	0.6
141.05515	0.3
142.02690	0.3
143.04912	0.4
145.02856	1.0
146.03642	2.5
147.04414	26.8
148.01569	0.3
148.04976	0.4
149.02368	1.6
149.06038	0.3
150.03142	8.8
151.03912	26.7
152.01045	0.5
152.04579	1.0
153.01834	1.2
153.05469	9.2
154.02600	1.0
157.02878	2.5
159.04433	2.4
161.02362	0.6
161.05998	2.4
162.03098	1.5
162.04265	0.6
163.03949	1.9
164.04692	5.9
165.01823	0.3
165.05482	3.9
166.02640	0.5
167.03438	1.1
167.07100	0.7
171.04391	0.3
173.02316	0.3
174.03122	4.3
175.03918	34.0
176.04591	1.6
177.01839	1.4
177.05527	2.1
178.01041	0.6
178.02623	13.0
179.03401	25.7
179.06992	6.1
180.00565	2.1
180.03792	0.7
181.04956	0.7
181.34689	0.2
182.02115	4.7
185.02348	0.7
187.04005	1.6
189.05495	4.3
190.02643	0.7
191.03409	3.3
191.07024	0.8
192.04189	10.9
193.04979	18.9
194.02147	1.0
194.05353	0.4
195.02904	8.0
195.06654	0.4
197.04462	54.8
198.04811	0.9
199.03908	1.8
202.02620	7.3
203.03377	3.9
204.04134	1.5
205.04993	5.2
206.02061	0.4
206.05594	0.4
207.06534	20.8
208.06955	0.4
209.04462	3.0
211.02386	0.6
211.05989	1.0
215.03372	0.4
217.04956	7.4
219.03061	1.5
219.06509	6.6
220.03653	5.1
221.04451	6.9
221.06514	0.4
222.01605	1.0
223.06023	2.1
227.03375	3.5
228.79698	0.3
230.02109	5.8
231.02892	2.3
233.04442	0.4
235.06021	23.4
236.06357	0.8
237.04039	1.6
245.04472	21.0
246.04814	0.5
248.03183	1.1
251.05775	0.3
252.24194	0.3
263.05515	100.0
264.05887	2.7
281.06589	12.9
281.10501	1.1
281.14868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0657
Annotation	Diaportinic acid
Peak:m/z	Relative Intensity
55.01880	1.9
58.98607	0.2
65.03941	0.6
67.05486	0.6
67.33038	0.2
68.99799	1.8
69.00139	0.3
69.07722	0.2
71.00996	0.4
71.01359	5.5
71.43944	0.4
72.27379	0.2
73.02930	0.6
79.05476	0.8
81.03438	0.5
83.04961	0.5
91.05470	3.6
93.03418	0.4
95.01329	0.5
95.04980	1.0
97.02898	9.0
103.05473	1.6
105.03400	0.7
105.07034	0.4
107.04932	1.1
109.02895	1.0
111.04420	0.7
115.05462	0.9
118.04158	1.9
118.85428	0.3
119.04949	15.7
121.02871	0.6
121.06548	0.4
122.03690	0.3
123.04461	2.4
123.07919	1.2
126.03130	0.5
129.03409	0.4
131.04897	2.3
133.02850	4.1
133.06477	0.5
135.04398	1.0
136.01591	1.3
136.05234	0.5
136.06190	1.8
137.02312	0.4
137.05986	0.3
138.03146	1.0
141.05453	0.3
141.48511	0.3
143.04948	0.4
145.02861	0.7
146.03625	2.8
147.04410	25.5
148.04993	0.4
149.02353	1.2
150.03133	7.9
151.03911	23.8
152.01091	0.6
152.04584	0.6
153.01791	1.3
153.05470	8.1
154.02594	0.8
157.02840	2.9
159.04437	2.5
161.02336	0.4
161.05957	2.2
162.03050	1.4
162.04268	0.5
163.03938	2.0
164.04672	5.1
165.01839	0.6
165.05487	4.4
166.02527	0.3
167.03371	1.0
167.07086	0.6
171.04437	0.7
173.02339	0.4
174.03120	4.3
175.03917	31.3
176.04549	1.8
177.01840	1.2
177.05476	1.9
178.01053	0.7
178.02617	12.7
179.03401	24.6
179.06992	6.6
180.00554	2.6
180.03777	0.8
181.05029	0.7
182.02090	3.9
185.02354	1.2
187.03885	1.6
189.05501	4.3
190.02650	0.9
191.03419	2.5
191.07045	0.4
192.04196	10.2
193.04968	17.2
194.02100	0.9
194.05386	0.5
195.02890	7.2
195.04710	0.4
195.06482	0.4
197.04460	53.2
198.04811	1.0
199.03893	1.4
202.00739	0.4
202.02629	7.4
203.03378	3.7
204.04260	1.8
205.01414	0.3
205.04962	5.0
206.02081	0.6
206.05685	0.8
207.06529	20.7
208.06755	0.6
209.04478	3.1
211.02481	0.6
211.06024	1.1
215.03491	0.4
217.04977	6.5
219.02924	1.1
219.06520	6.4
220.03653	5.2
221.04440	6.7
221.06543	0.6
222.01654	1.1
222.04971	0.3
223.06058	2.3
227.03372	4.1
230.02106	6.0
231.02846	2.0
233.04425	0.7
235.06015	23.1
236.06371	0.6
237.04076	1.3
242.59258	0.3
245.04465	20.9
246.04813	0.4
248.03154	0.9
251.05405	0.4
263.05515	100.0
264.05847	3.2
281.06567	13.7
281.10538	1.0
281.14862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
56.96551	0.7
57.07077	1.1
69.07035	0.6
81.07048	1.8
91.05456	0.7
93.07049	0.9
94.58274	0.6
95.08601	1.5
97.10146	0.6
98.97584	5.2
104.99262	1.3
105.07051	0.6
107.08601	1.0
109.10150	1.8
116.98606	3.3
121.10079	0.7
134.99622	1.6
138.99445	1.2
150.02586	0.8
151.02873	0.7
207.09894	1.1
256.65952	0.6
258.99841	2.9
263.33267	0.6
277.00775	5.0
281.13593	100.0
282.14001	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	281.1498
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
53.03949	0.3
57.03438	2.7
57.07065	0.3
59.05024	0.3
61.02935	1.3
69.03108	0.5
69.03437	3.9
71.01350	0.9
71.04984	0.8
73.02910	0.7
75.04491	0.6
81.03447	0.3
83.08629	0.4
98.97576	0.4
99.04450	0.9
106.88281	0.3
120.08109	0.5
122.07143	0.4
123.07979	1.6
132.06880	0.5
136.06187	0.9
146.08420	0.4
147.09178	73.4
148.09512	1.0
149.02333	0.6
150.02664	0.6
151.02817	0.7
153.01823	0.9
155.02414	0.3
159.09174	0.6
162.04079	0.4
164.07175	0.6
164.76337	0.2
192.56313	0.3
197.04590	0.3
215.80458	0.3
217.13492	0.4
244.94966	0.3
263.05444	0.5
263.13901	0.6
281.14957	100.0
282.15320	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.05513	32.9
56.96558	8.1
57.03439	35.2
57.07067	4.1
61.59704	3.4
65.03914	5.2
67.05506	85.6
69.07063	13.5
71.05000	4.1
79.05498	100.0
81.03407	18.3
81.07059	73.9
83.04980	41.4
83.08612	9.6
90.86281	4.2
91.05483	62.7
93.07043	83.3
95.04956	35.9
95.08595	41.4
97.06509	6.1
97.10185	8.1
98.97582	49.4
104.99250	8.9
105.04510	7.8
105.07034	48.0
107.04962	7.9
107.08592	30.5
109.06494	4.8
109.10144	12.4
116.98639	31.0
117.06988	11.4
119.08577	24.8
121.10114	4.3
123.08014	9.3
126.36098	4.2
129.06989	17.5
131.08633	3.8
133.10095	11.5
134.09662	7.0
134.99660	15.4
137.09534	4.5
143.08575	10.2
145.10126	14.8
147.08023	6.5
147.11679	41.0
149.02367	6.8
151.02826	5.3
159.11641	3.6
161.13187	17.7
171.11653	33.8
189.12715	12.5
203.37796	3.5
207.13850	17.8
207.43117	3.8
234.92255	5.0
258.99814	29.6
270.04465	3.9
273.08749	3.7
277.00830	49.7
281.17471	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.5
56.96564	7.1
69.57711	1.0
71.95271	0.5
76.12565	0.2
78.16024	0.2
85.22354	0.2
98.97578	100.0
99.97931	0.4
116.98618	40.7
134.99655	10.7
140.00198	0.6
146.05849	0.2
153.00735	0.3
177.32007	0.2
184.08223	0.2
216.98618	0.6
234.99739	0.8
240.98615	4.2
241.00914	0.3
258.99750	51.0
259.99951	2.2
272.26108	0.3
272.46558	0.3
277.00806	63.7
278.00928	2.8
282.01392	0.6
295.01907	0.5
300.02292	0.6
301.01041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01870	2.7
57.03440	4.4
61.02921	9.3
69.03430	16.4
71.04999	4.2
73.02925	2.9
81.03421	6.1
82.56503	0.8
85.02907	100.0
85.06544	21.4
87.04474	2.8
91.03961	7.4
97.02889	21.7
97.03487	1.5
98.97594	8.4
99.04455	4.0
103.03961	1.1
109.02869	8.5
113.10783	0.9
115.03934	1.9
116.98640	3.1
124.90243	0.9
127.03915	28.2
127.04860	1.4
134.99641	1.1
145.04959	60.8
154.51634	1.0
163.06013	19.5
163.07318	1.7
180.08577	1.4
197.38614	0.9
229.10695	6.7
258.99817	3.4
277.00876	5.7
277.03467	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	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.5
55.05514	50.5
56.96567	2.8
67.05518	0.9
67.38683	1.1
81.07044	1.0
83.04982	100.0
84.05302	1.4
91.05489	1.0
95.32394	1.0
98.97582	27.9
101.50378	1.0
114.39842	1.1
116.98627	19.4
117.07000	1.2
119.08587	11.8
134.99666	8.2
145.05043	1.4
147.08049	50.6
148.08366	1.7
158.01234	1.3
162.09070	1.2
163.97797	1.0
196.68286	0.9
204.13760	5.6
245.11581	1.1
247.13281	12.2
258.99759	14.8
264.15973	4.2
277.00839	16.4
278.00888	1.4
282.01266	2.1
282.17557	1.3
282.24356	1.5
283.15540	1.2
289.60529	1.2
300.02399	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	282.9618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60990	0.8
58.85196	0.9
63.77530	0.8
69.26512	1.0
70.72673	1.2
94.93018	100.0
114.60285	0.9
122.92466	1.3
125.25240	1.0
125.47635	0.9
134.92467	2.8
136.94049	2.7
152.93506	3.2
164.93538	3.0
166.95126	2.7
176.93529	63.6
192.93069	3.5
194.94592	3.0
210.93994	1.9
222.94041	1.9
234.93933	1.9
250.93533	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	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28701	0.2
51.31641	0.2
53.03938	0.8
55.01873	0.2
57.03427	0.6
62.06981	0.2
62.16908	0.2
65.03941	2.4
67.05505	0.2
69.03436	4.6
70.85618	0.2
71.04990	0.4
73.02913	0.3
77.03928	0.2
81.02962	0.3
81.03416	5.2
85.02905	5.3
89.06042	0.2
93.03387	0.5
95.04971	5.5
97.02892	1.1
99.04436	0.7
105.04518	0.4
109.02887	2.3
111.04433	2.1
121.02868	100.0
121.03893	4.0
122.03192	1.5
127.03898	0.8
130.21556	0.1
139.03897	10.2
140.04234	0.2
220.13268	0.2
221.13583	0.3
265.07074	3.8
270.73611	0.2
275.06702	0.2
283.08124	1.5
283.11441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
53.80168	0.4
55.01873	0.4
55.46857	0.4
57.03428	1.2
65.03947	2.4
69.03424	5.9
70.50806	0.7
71.01344	0.4
71.04998	0.8
73.00818	0.3
73.02891	0.6
81.03416	15.4
85.02905	5.3
95.04961	4.8
97.02902	3.2
99.04438	1.7
109.02876	6.3
111.04448	2.1
119.97446	0.4
121.02863	100.0
121.03838	3.2
122.03194	1.7
127.03908	2.6
128.82069	0.4
130.67595	0.3
139.03909	6.6
187.18484	0.4
220.18288	0.4
222.67993	0.3
265.07068	11.9
266.07202	0.5
283.08212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
54.47794	0.1
55.01879	0.3
56.97214	0.1
57.03444	0.6
61.02960	0.3
65.03941	2.0
67.05508	0.3
69.03062	0.3
69.03435	4.5
70.51447	0.3
71.01390	0.2
71.04989	0.4
73.02909	0.2
75.43385	0.1
79.05511	0.2
79.86485	0.1
81.03422	6.0
81.07051	0.3
85.02911	5.9
91.19964	0.2
93.03424	0.3
93.38184	0.1
95.04975	6.8
97.02895	1.0
97.06477	0.2
98.23183	0.3
98.97577	0.3
99.04454	0.7
105.04529	0.4
107.04987	0.2
109.02885	2.8
111.04456	1.9
119.07339	0.2
121.02876	100.0
121.03897	3.8
122.03213	1.5
127.03922	1.0
135.11771	0.1
139.03909	8.7
151.91006	0.1
153.91969	0.2
194.80554	0.1
265.07071	3.0
283.08160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1329
Annotation	Obovatol
Peak:m/z	Relative Intensity
52.46682	0.4
53.03951	0.8
55.01876	2.2
55.05492	0.6
56.15689	0.4
60.11041	0.4
63.36940	0.4
65.03926	0.8
67.05506	3.4
68.99791	9.9
69.03410	0.5
69.97832	0.9
77.03941	1.1
79.05493	4.6
79.35622	0.5
81.03413	0.5
81.07050	10.0
87.76730	0.5
89.05999	0.6
91.05476	14.6
93.07049	9.2
95.04967	7.0
95.08598	0.5
98.97599	2.2
103.05467	11.4
105.03413	1.0
105.04514	1.8
105.07034	7.3
107.04950	12.3
109.06506	2.7
111.04439	6.6
115.04722	0.7
115.05461	6.6
116.06271	0.7
116.98643	1.1
117.07016	25.3
119.04960	1.3
119.08578	2.8
121.06503	55.1
122.06854	0.9
123.04427	66.7
123.83302	0.5
124.04741	0.9
128.06221	1.4
128.78053	0.4
129.06990	4.1
130.07776	4.1
131.04918	8.7
131.08563	5.3
132.05717	6.9
133.06483	6.7
134.03667	0.5
134.07265	1.5
135.04407	1.7
135.08095	2.8
137.02351	3.0
137.05975	32.3
138.06279	0.7
143.08568	1.3
144.05693	7.0
145.06483	74.2
145.10123	13.0
146.06920	1.5
147.04387	1.4
147.06877	0.9
147.08040	13.6
149.05975	81.0
150.06775	7.6
151.03882	2.3
151.07556	3.9
153.06970	1.5
154.07788	1.1
155.06041	4.6
155.07146	0.7
155.08562	3.0
157.06500	0.7
158.07266	11.7
159.08025	1.1
161.05986	1.9
161.09549	2.3
165.06996	0.7
166.07726	0.6
167.08545	2.2
173.09616	71.2
174.09990	2.1
175.07559	0.6
177.06934	0.8
181.06505	2.2
181.10081	1.2
182.07285	1.3
185.09531	0.4
187.57730	0.5
189.09090	3.0
190.07785	0.6
191.08591	0.9
194.07262	1.8
195.08057	8.0
195.09843	0.6
195.11639	0.9
196.08804	1.1
197.08087	1.7
199.07666	1.1
207.08060	0.9
208.08875	2.4
209.07843	0.7
209.09625	7.9
212.08409	0.6
213.09033	0.6
219.11728	1.1
222.10335	1.3
223.07631	0.6
223.11150	11.2
224.08365	1.3
224.11446	0.8
225.07503	0.8
226.06032	0.6
227.07011	1.5
232.08803	1.6
235.07565	0.9
236.08411	0.5
237.09056	2.1
237.12723	13.2
238.13116	0.7
239.06990	0.9
241.08563	1.4
241.12262	0.6
250.09868	1.9
254.09441	1.0
255.10150	1.8
265.12238	10.7
266.12955	0.6
268.10892	0.5
278.01053	0.7
283.13263	100.0
284.13620	4.2
296.29111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05499	1.6
57.03426	2.3
61.37457	0.4
67.05515	2.1
68.05130	0.5
69.03419	0.5
69.07053	1.4
69.35952	2.2
77.23876	0.5
78.04617	0.4
79.05482	3.9
81.03403	0.6
81.07063	2.7
83.04968	0.6
83.08609	1.3
83.99255	0.4
89.06034	0.7
91.05479	1.3
93.07046	5.0
95.04975	1.3
95.08604	3.9
97.02904	0.7
97.06500	0.9
98.97586	3.3
99.04473	0.5
105.06992	1.2
107.04938	1.1
107.08589	3.2
109.10197	0.8
111.04488	0.6
116.98615	2.3
117.07041	0.9
119.08570	1.3
121.02843	0.5
121.06507	0.9
121.10126	1.5
133.10069	0.6
134.99666	0.9
135.11691	4.8
139.34602	0.4
145.10100	3.8
159.48624	0.4
163.11171	7.2
163.55411	0.4
181.12213	1.8
227.12769	10.5
228.13116	0.4
233.11458	2.5
259.99854	1.4
265.14136	1.1
278.01059	1.6
283.15158	100.0
284.15512	3.2
284.21973	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	285.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.6
60.95805	0.2
68.95519	0.3
69.44271	0.4
69.44672	0.5
73.04655	0.2
75.43230	0.2
98.23388	0.3
98.97581	5.4
99.97917	1.3
100.97162	0.4
101.00871	2.7
101.49531	0.2
101.97182	0.6
102.00960	1.0
102.96867	2.0
103.00610	0.4
116.98614	2.3
117.98955	0.7
118.26135	0.3
119.01918	4.5
120.01998	1.9
120.97901	1.1
121.01679	0.5
134.99692	0.7
136.00024	0.3
137.02940	0.6
138.03177	0.3
138.98889	0.3
139.69586	0.2
140.98856	0.4
141.98967	0.6
158.99890	0.7
159.99928	1.8
160.99698	0.6
166.99669	0.3
177.00948	4.4
178.01036	9.0
179.00702	2.3
184.00061	0.8
201.00949	0.7
201.83745	0.2
202.01007	2.5
203.00778	0.6
217.04181	0.4
218.04147	1.8
218.98720	0.3
219.01999	4.9
219.03882	0.4
220.02115	16.7
221.01755	3.5
224.35291	0.2
225.00909	0.4
226.00998	2.2
226.02722	0.2
227.00755	0.6
238.98409	0.5
242.98836	0.2
242.99663	0.3
243.02034	1.6
244.02119	9.1
244.98062	0.3
245.01768	2.3
260.99875	1.2
261.03030	16.7
262.03183	100.0
262.99237	0.8
263.02841	22.9
264.03629	0.4
267.03751	0.3
279.00702	0.9
279.98026	0.3
280.00928	2.4
281.00110	1.1
284.99841	2.2
285.04742	2.5
285.99969	0.3
286.04510	0.6
303.00906	2.4
303.05380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89001	3.5
55.01887	5.3
55.05515	26.3
57.03444	52.6
57.07080	5.7
60.08165	6.0
65.03937	3.7
67.05510	44.6
69.06489	25.7
69.07060	12.0
71.05004	13.4
79.05497	36.9
81.03424	79.8
81.07063	58.1
83.04993	24.1
83.08628	36.1
84.60298	4.0
85.02912	100.0
85.06547	7.9
91.05481	50.8
93.07049	30.6
95.04976	43.8
95.08601	20.7
97.02957	3.9
97.06538	6.6
97.10181	6.3
98.23416	9.4
105.07046	36.9
107.04958	10.0
107.08616	14.5
109.06541	12.0
109.10168	6.7
111.08087	21.5
113.06013	9.2
119.08595	33.6
120.96642	6.3
121.10154	17.9
123.08057	6.2
123.11692	4.5
123.99814	3.2
129.07010	13.9
129.45264	3.3
131.08566	23.2
133.06555	4.6
133.10121	19.2
137.09650	3.9
147.08061	5.5
147.11714	25.5
149.09610	10.1
154.07968	3.7
157.10141	26.5
165.12766	9.3
168.47327	5.3
175.11206	26.3
191.07455	3.8
192.51863	3.7
193.12245	89.5
197.02139	3.7
201.28723	3.3
211.13287	83.1
284.33255	17.6
285.16962	89.6
285.22235	6.5
285.33429	11.3
292.73605	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	2.7
53.05180	1.2
55.01889	1.5
55.05512	13.6
57.03438	25.1
59.04978	1.2
65.03913	1.2
67.05505	23.8
69.03430	5.6
69.07063	5.1
69.87558	2.5
69.87926	2.6
71.04988	6.1
79.05493	21.0
81.03419	100.0
81.06625	2.2
81.07059	26.2
81.54310	1.3
82.03726	1.2
83.04977	9.3
83.08618	23.9
85.02403	2.5
85.02903	43.8
85.06537	2.5
91.05478	28.2
93.07039	13.6
95.04970	29.9
95.08610	10.0
97.02898	3.1
97.06508	4.3
97.10175	2.6
105.07034	17.7
107.04964	6.6
107.08594	6.2
109.06508	5.2
109.10175	2.1
111.04414	1.9
111.08070	14.6
113.05990	3.3
115.05440	1.3
117.06969	1.6
119.04977	1.7
119.08572	17.5
121.06493	2.6
121.10120	9.8
121.26429	1.2
122.06833	1.2
123.08068	2.3
123.11691	2.4
129.06993	11.9
131.08583	8.8
133.06505	4.0
133.10130	5.9
133.82445	1.4
137.09605	2.0
145.10144	1.5
147.04391	1.6
147.08029	4.1
147.11697	15.6
149.09631	5.4
157.10107	16.3
165.12741	4.2
175.11203	17.4
193.12231	68.6
194.12651	2.4
211.11194	1.9
211.13290	41.0
211.73277	1.2
221.10025	1.6
229.14354	3.0
244.52843	1.1
267.15945	7.8
285.16953	40.7
286.17212	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.02401	0.6
52.94028	0.6
53.03946	3.1
54.05763	0.6
55.01874	2.0
55.05511	7.8
56.88177	0.7
57.03440	5.9
57.03707	0.9
67.05503	11.2
69.03425	2.2
69.07064	3.9
69.38596	1.2
69.39022	2.2
71.04987	1.9
71.31692	0.6
74.07235	0.6
79.05495	11.9
81.03420	100.0
81.07058	10.9
82.03764	0.8
83.04977	4.9
83.08626	18.7
85.02911	4.9
85.06501	0.7
91.05484	14.2
93.07052	7.2
95.04972	25.5
95.08603	3.6
97.02900	2.4
97.06530	1.9
97.10162	1.1
99.08136	1.0
105.07034	12.1
107.04948	6.1
107.08571	3.2
109.06534	2.7
109.10168	1.8
111.04468	1.4
111.08093	11.4
115.05494	0.8
117.07062	1.6
119.04974	0.9
119.08590	10.5
121.06521	1.3
121.10126	5.4
123.08068	1.2
125.09576	0.7
129.07014	7.6
130.06500	0.8
131.08566	6.8
133.06509	2.8
133.10149	3.8
137.09633	1.8
142.07819	2.3
144.08139	0.8
145.10114	1.1
146.06053	0.6
147.08058	3.0
147.11703	7.1
149.09666	4.8
150.87921	0.7
153.01869	2.2
157.10135	8.5
165.12759	2.2
167.07268	1.0
168.08055	4.0
168.40201	0.6
169.01321	0.6
175.11205	12.7
180.08095	4.2
184.04633	0.6
193.12250	49.8
194.09721	0.9
194.12578	1.3
195.10127	1.2
208.11205	1.7
211.13281	7.8
222.12793	1.3
255.36406	0.9
267.15924	12.9
268.13358	8.2
285.12585	1.1
285.16931	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03951	2.5
55.01858	4.0
55.05510	14.2
55.58483	1.1
56.43404	1.0
57.03436	24.9
65.03938	1.3
67.04726	1.0
67.05154	2.0
67.05501	23.7
69.03418	4.4
69.07075	6.7
69.69330	2.1
71.04987	6.1
79.05491	23.8
81.03416	100.0
81.07056	30.1
83.04977	11.0
83.08620	30.3
85.02903	43.7
85.06536	1.8
91.05478	27.0
93.07047	15.5
95.04968	33.0
95.08611	9.6
96.05281	0.9
97.02865	3.8
97.06524	3.7
97.10143	3.8
99.08074	2.0
105.07034	20.3
107.04937	6.8
107.08603	7.7
109.06509	5.2
109.07130	0.9
109.10175	2.9
111.04412	3.0
111.08073	15.8
113.06001	4.0
115.05434	1.8
116.81116	1.0
117.07017	2.1
119.08580	17.9
121.06528	1.6
121.10131	10.5
123.08073	2.4
123.11721	3.4
125.09627	1.1
129.06999	10.6
131.08577	11.5
133.06488	3.7
133.10136	9.7
135.08083	1.1
137.09610	1.8
142.07744	2.8
145.10129	1.2
147.08049	3.0
147.11668	18.1
149.09633	7.9
152.13339	1.1
157.10143	16.1
163.11198	1.2
163.63945	1.0
165.12807	5.2
175.11166	19.3
193.12234	75.9
194.12570	2.8
198.94148	1.0
211.13284	49.1
221.09889	1.2
229.14307	3.9
246.47346	1.1
267.15903	9.9
280.83493	1.0
285.03796	1.5
285.16943	56.4
286.17050	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14427	1.4
53.03946	2.3
55.01875	3.2
55.05515	23.0
55.69521	1.2
57.03443	49.8
57.07092	1.3
65.03928	1.7
67.05513	33.3
69.03439	5.6
69.07076	12.0
69.21384	1.5
71.04997	12.3
79.05500	31.7
81.03425	82.4
81.07061	45.6
83.04995	18.2
83.08131	1.8
83.08627	38.6
85.02912	94.4
85.06542	3.4
86.03231	1.6
91.04939	2.8
91.05486	40.1
92.05807	1.8
93.07046	25.1
95.04975	44.2
95.08614	18.2
97.02882	4.5
97.06537	7.7
97.10175	4.4
99.08091	2.1
105.07041	33.8
107.04956	7.4
107.08595	11.5
109.06545	8.1
109.10168	6.4
111.04462	3.6
111.08083	16.2
113.06020	8.1
115.05447	1.6
117.07024	2.5
119.08596	24.5
121.06510	3.9
121.10159	16.2
123.08071	4.4
123.11691	4.0
123.16135	1.4
125.09608	1.8
129.07027	13.9
131.08589	15.6
133.06488	3.6
133.10155	14.0
135.08072	1.5
137.09634	3.7
142.07755	1.8
145.10040	2.3
147.08046	4.0
147.11685	29.3
149.09618	10.0
157.10143	20.1
165.12767	5.1
173.09631	1.3
175.11195	24.2
186.41060	1.5
193.12257	100.0
194.12572	2.3
211.13301	88.8
212.13808	3.2
285.16980	83.9
286.17438	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03949	3.6
55.01871	2.1
55.05506	6.7
57.03430	4.9
57.07059	0.5
65.03918	0.7
67.05502	10.0
69.03429	2.9
69.07065	1.9
71.04993	2.1
71.59892	0.5
73.09861	0.5
79.05489	11.2
81.03416	100.0
81.07054	10.3
82.03729	1.1
83.04980	5.2
83.08117	1.1
83.08618	21.2
85.02903	2.9
85.06538	0.7
91.05476	14.0
92.05789	0.5
93.07050	6.6
95.04967	26.5
95.08594	3.1
97.02908	2.3
97.06525	1.3
97.10162	1.1
99.08072	0.5
101.77287	0.5
105.04503	0.7
105.07027	9.6
107.04954	6.5
107.08594	3.5
109.06490	2.6
109.10162	0.7
111.04406	1.3
111.08065	9.8
115.05477	1.2
117.07023	1.0
119.08575	8.7
121.06527	1.6
121.10147	4.2
123.08076	1.4
129.07008	6.4
131.08565	6.3
133.06512	2.2
133.10139	3.6
137.09647	1.0
142.07774	2.0
144.08078	0.6
145.10144	1.3
147.08061	2.0
147.11687	7.7
149.09592	4.0
153.01843	2.0
157.10115	9.0
165.12790	1.0
168.08086	0.6
173.09569	0.7
175.11180	11.8
175.12650	0.8
180.08076	1.1
193.12233	51.6
194.12592	2.0
208.11127	0.6
211.13268	7.0
249.14845	0.9
267.15927	14.2
268.13232	2.1
268.16025	0.9
285.12436	0.8
285.16943	4.8
285.21872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58891	0.1
53.03937	0.1
55.01867	0.1
60.98914	0.1
65.03925	0.3
67.01851	0.2
67.05514	0.1
67.19862	0.1
68.99786	1.9
69.03430	0.2
71.01351	0.1
71.26349	0.1
74.19980	0.1
79.05486	0.7
81.03416	0.3
91.05470	0.1
95.01318	0.1
95.04951	0.4
95.59004	0.1
97.02896	0.1
103.05469	0.2
105.03391	0.8
105.04509	0.1
105.06992	0.1
107.04964	1.1
107.08585	0.1
109.02878	0.7
111.00802	1.5
111.04459	0.4
115.05462	0.2
117.07027	0.2
119.04876	0.1
121.02866	6.6
121.03925	0.4
122.03242	0.1
127.03930	0.2
128.37422	0.1
129.06981	0.3
133.02858	0.8
135.04420	0.4
137.02341	2.1
139.05440	0.1
141.06992	0.2
145.06471	0.5
147.04401	1.2
153.01822	9.5
154.02147	0.1
155.06000	0.1
157.06480	1.3
161.02318	0.2
161.05942	0.3
164.24646	0.1
165.01837	3.5
167.04903	0.1
169.06517	0.2
171.02991	0.1
171.04408	0.7
173.05910	0.1
175.03908	0.3
175.07442	0.1
179.03395	0.1
180.31194	0.1
183.02904	1.6
184.05196	0.1
185.05951	1.1
189.05478	0.3
194.02173	0.1
197.05972	0.3
199.03943	0.1
199.81345	0.1
203.03372	0.1
203.07053	0.2
212.04738	0.1
213.05453	2.6
214.05945	0.1
216.04243	0.1
217.05086	0.1
229.04823	0.3
231.06511	1.1
241.04947	1.5
242.05515	0.1
243.06499	0.2
245.04437	0.1
258.05237	2.1
259.06009	0.9
269.04474	0.5
280.28409	0.1
286.04797	0.2
287.05484	100.0
288.05814	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	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25233	0.1
50.86733	0.1
53.98003	0.1
54.54541	0.1
56.34770	0.1
65.03945	0.2
65.31960	0.1
67.01852	0.3
68.99784	1.9
69.03439	0.2
69.07079	0.1
78.91513	0.1
79.05500	0.7
81.03403	0.4
90.13804	0.1
90.46577	0.1
91.05469	0.1
95.04944	0.5
97.35770	0.1
103.05479	0.2
105.03384	0.8
105.04480	0.2
105.07015	0.4
107.04962	1.2
109.02868	0.5
111.00797	1.6
111.04421	0.3
115.05405	0.1
117.06983	0.2
121.02864	6.1
121.03907	0.4
121.06506	0.2
123.04404	0.2
127.03920	0.1
128.06232	0.2
128.97165	0.1
129.06985	0.4
133.02849	0.9
133.06421	0.1
135.04407	0.4
136.01569	0.2
137.02332	1.9
141.06972	0.2
145.06479	0.3
147.04407	1.2
153.01817	9.4
154.02179	0.2
157.06468	1.4
161.05975	0.3
165.00441	0.2
165.01830	3.3
169.06464	0.2
171.03036	0.1
171.04398	0.7
175.03928	0.2
177.05521	0.1
183.02898	1.9
184.05066	0.2
185.05948	1.0
189.05498	0.3
197.05954	0.1
203.03378	0.2
203.07031	0.3
213.05453	3.0
216.02129	0.1
216.04115	0.2
217.04857	0.2
223.39928	0.1
229.04958	0.3
230.05763	0.1
231.06508	1.1
241.04964	1.5
242.05698	0.1
243.06535	0.2
245.04283	0.2
258.05246	2.1
259.06046	0.8
269.04303	0.2
269.08102	0.2
286.05008	0.2
287.05481	100.0
288.05814	3.7
288.08957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
62.60966	0.2
67.01861	0.3
68.99786	1.7
69.03403	0.2
70.97553	0.2
79.05502	0.3
81.03395	0.2
86.08654	0.2
95.04964	0.4
105.03374	0.5
107.04957	0.7
107.08599	0.2
109.02871	0.7
111.00784	1.0
111.04456	0.4
117.07018	0.2
121.02865	5.1
121.03813	0.3
121.04041	0.2
127.03902	0.2
129.07016	0.2
133.02858	0.7
135.04428	0.5
137.02370	1.7
145.06477	0.2
147.04410	0.8
151.46901	0.2
153.01825	8.0
157.06491	0.9
161.05960	0.2
164.73064	0.2
165.01833	2.3
171.04362	0.3
183.02930	1.1
185.05988	0.7
207.55679	0.2
213.05426	2.2
216.03986	0.2
220.82019	0.2
231.06401	0.8
241.04932	1.0
258.05240	1.9
259.06055	0.5
269.04483	0.3
282.12387	0.2
287.05490	100.0
288.05832	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01870	0.2
55.05515	0.1
56.14525	0.1
57.03432	0.3
59.75797	0.1
65.03933	0.3
67.01868	0.3
67.05511	0.2
68.99793	2.1
69.03415	0.2
69.07068	0.2
69.64678	0.2
69.65033	0.2
71.04973	0.1
71.13889	0.1
79.05497	0.7
81.03419	0.7
81.07047	0.4
82.03726	0.1
83.01307	0.1
83.05009	0.1
85.02908	0.3
87.00851	0.1
87.04469	0.1
91.05477	0.3
95.04964	0.4
95.08632	0.1
97.02881	0.1
97.06509	0.2
103.05505	0.2
105.03398	0.8
105.04528	0.1
105.07036	0.2
107.04957	1.3
109.02886	0.7
111.00805	1.5
111.04452	0.4
115.05441	0.2
115.92310	0.1
117.06992	0.1
119.03430	0.1
119.04953	0.2
119.08595	0.1
121.02868	6.5
121.03941	0.4
121.06451	0.1
122.03125	0.2
125.02406	0.1
127.03904	0.2
129.07011	0.4
131.04921	0.2
133.02840	1.0
135.04416	0.4
136.01608	0.1
136.07579	0.4
137.02342	2.2
141.06999	0.2
143.03391	0.2
145.06535	0.5
147.04413	1.2
153.01823	10.0
154.02161	0.2
155.03389	0.1
157.06491	1.4
161.05971	0.4
164.07014	0.4
165.01845	3.6
166.02605	0.2
169.06555	0.2
171.04402	0.8
175.03874	0.2
183.02876	1.6
184.05128	0.1
185.05957	1.1
189.03899	0.3
189.05475	0.3
194.12550	0.2
197.06038	0.3
199.03911	0.1
201.05429	0.2
203.03308	0.2
203.07007	0.3
213.05452	3.0
216.04173	0.2
229.04974	0.3
231.06529	1.3
241.04950	1.5
243.06439	0.2
258.05228	2.2
259.06064	0.8
269.04456	0.3
286.17273	0.1
287.05490	100.0
288.05823	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01862	0.1
55.69910	0.1
65.03930	0.2
67.01852	0.2
68.99423	0.1
68.99787	1.5
69.03416	0.2
69.80780	0.2
71.01348	0.1
73.39480	0.1
79.05495	0.4
81.03413	0.2
82.82719	0.1
93.03425	0.1
95.04961	0.3
97.02878	0.1
103.05451	0.2
105.03385	0.5
107.04949	0.9
109.02872	0.6
111.00795	1.2
111.04428	0.2
115.05431	0.1
115.39541	0.1
117.07044	0.1
119.04949	0.2
121.02862	5.1
121.03918	0.3
122.03153	0.1
123.04398	0.1
127.03874	0.3
127.05410	0.1
128.06218	0.1
129.06999	0.3
133.02843	0.8
133.06499	0.1
135.04424	0.3
137.02328	1.8
141.06990	0.2
145.06482	0.3
147.04404	1.1
151.03796	0.1
153.01819	8.1
154.02238	0.1
157.06496	1.0
161.06001	0.3
165.01828	3.1
166.02568	0.1
169.06430	0.1
171.03018	0.1
171.04376	0.4
174.98198	0.1
175.03880	0.1
175.07683	0.1
181.29738	0.1
183.02892	1.3
183.04419	0.1
184.05164	0.1
185.05959	1.0
189.05458	0.2
197.05925	0.2
201.05423	0.1
203.03354	0.2
203.06989	0.2
213.05449	2.6
214.05850	0.1
216.04137	0.1
217.04849	0.1
223.04051	0.1
229.04898	0.2
231.06488	1.1
241.04918	1.3
242.05571	0.1
243.06540	0.1
245.04521	0.2
258.05219	1.8
259.06027	0.7
269.04401	0.3
287.05475	100.0
288.05807	4.0
295.77057	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	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.89438	0.1
55.36366	0.1
67.01867	1.7
68.99786	1.2
69.54844	0.6
79.05486	0.2
89.03914	0.5
98.22648	0.1
107.04931	0.3
111.00810	0.3
115.05426	0.3
117.03361	0.7
125.02254	0.2
127.03873	0.2
129.01820	0.4
135.04411	4.5
136.04816	0.2
137.02319	1.3
147.04407	0.2
153.01822	12.0
154.02141	0.1
161.02336	1.4
171.02940	0.7
171.04176	0.2
175.16296	0.1
179.03394	0.6
183.38589	0.1
185.06009	0.3
192.25192	0.1
203.03371	0.3
211.99733	0.1
213.05443	0.3
217.05017	0.2
219.06589	0.3
241.04955	1.3
245.04501	0.2
259.05991	0.2
263.05484	0.2
269.04385	0.9
269.12839	0.1
287.05484	100.0
288.05811	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	287.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.1
53.39548	0.1
55.01870	0.1
55.05521	0.1
57.02679	0.1
65.03961	0.2
67.01881	0.2
67.05518	0.1
68.99802	1.5
69.03433	0.1
69.07071	0.1
79.05506	0.6
81.03429	0.3
81.07063	0.3
91.05506	0.2
93.07052	0.2
95.04987	0.4
95.08626	0.2
97.06554	0.1
103.05451	0.1
105.02807	0.1
105.03394	0.7
105.04501	0.1
105.07072	0.1
106.19131	0.1
107.04979	0.7
107.08632	0.2
109.02890	0.5
109.06593	0.1
111.00820	1.3
111.04447	0.4
115.05460	0.2
116.06709	0.1
117.07053	0.2
119.04958	0.2
120.08913	0.1
121.02887	5.0
121.03972	0.4
125.06017	0.2
128.06174	0.2
129.07024	0.4
133.02864	0.9
135.04436	0.3
135.08075	0.1
137.02353	1.9
140.00401	0.1
140.16365	0.1
141.06992	0.3
141.80653	0.1
145.02847	0.1
145.06525	0.4
145.10172	0.2
147.04405	1.1
151.03839	0.1
153.01839	8.5
154.02251	0.2
157.06523	0.8
158.85643	0.1
161.05994	0.3
163.11191	0.3
164.93820	0.1
165.01855	2.9
169.06560	0.1
171.03175	0.1
171.04434	0.5
173.05978	0.2
175.03949	0.1
175.07549	0.1
183.02924	1.5
183.04445	0.2
185.05997	0.8
187.11137	0.1
189.05534	0.2
194.02267	0.1
197.05977	0.2
199.03831	0.1
201.05611	0.1
202.23596	0.1
203.03264	0.1
203.07158	0.2
205.12398	0.1
213.05472	2.5
215.10666	0.1
216.04277	0.2
216.10751	0.1
229.05017	0.3
231.06482	1.1
233.11595	0.2
234.12068	0.2
241.04971	1.4
243.06450	0.2
245.04518	0.1
251.12837	0.2
252.12984	0.2
258.05273	1.9
259.06079	0.6
269.04446	0.4
287.05527	100.0
288.05869	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	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89512	0.3
52.38698	0.3
56.96555	0.5
74.25362	0.4
81.07098	0.3
82.90749	0.4
83.86587	0.4
96.60106	0.4
97.37436	0.4
98.22613	0.6
98.97578	0.5
98.98461	0.3
110.07153	0.9
143.01898	0.5
155.32578	0.4
163.12256	0.5
164.12598	0.4
185.01007	0.4
201.03758	0.5
206.81241	0.4
208.61330	0.4
287.11005	100.0
288.11414	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	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64501	0.3
65.27267	0.3
70.52921	0.5
83.59479	0.3
93.40966	0.4
98.97585	0.7
100.57523	0.3
125.05755	0.6
177.75977	0.3
190.95457	0.3
214.95348	0.4
250.97589	0.3
287.10995	100.0
288.11298	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	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63557	1.2
124.48129	0.4
183.55293	0.4
191.18222	0.4
208.83728	0.4
211.48386	0.4
214.11188	0.4
287.10999	100.0
288.11331	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1255
Annotation	CAY10616
Peak:m/z	Relative Intensity
59.08596	0.7
62.77203	0.6
67.05509	0.8
68.37037	0.6
70.59723	0.8
71.04984	0.9
72.62632	0.6
81.07046	0.7
82.78445	0.6
96.05708	0.7
113.06079	0.6
126.24097	0.6
159.65776	0.7
205.64099	0.6
255.95833	0.7
268.36807	0.6
287.05939	3.4
287.12540	100.0
288.12891	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	287.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80412	3.5
51.35748	2.7
55.01885	6.0
55.05515	19.3
57.03444	3.3
62.40767	2.8
67.05500	14.7
69.03432	10.1
69.07070	48.5
71.01347	6.6
71.05000	17.7
71.47016	2.9
79.05486	36.5
80.54349	2.7
81.03416	4.0
81.07056	75.6
83.04990	20.8
84.08153	3.2
85.06552	13.8
89.02399	6.0
89.49181	2.8
91.05487	24.6
93.07040	75.4
95.04973	56.0
95.08617	11.5
97.06539	31.2
98.98457	2.8
99.04456	15.8
105.07027	35.2
107.04971	8.0
107.08603	32.6
109.06522	27.7
109.10197	5.1
111.04464	6.3
111.08102	4.1
111.11707	10.7
113.06035	7.3
117.07018	10.7
119.04932	3.8
119.08575	21.0
120.20268	3.3
121.02806	3.8
121.06533	9.3
121.09274	5.6
121.10140	100.0
121.10986	6.6
122.10542	5.4
123.08057	4.3
124.07600	8.7
125.05977	28.6
127.07561	14.7
129.05527	5.2
130.07729	3.3
131.08583	18.8
133.06490	4.5
133.10132	8.0
135.08116	4.4
135.11716	25.2
137.02339	4.0
137.06004	16.6
139.07544	10.6
139.11177	35.1
143.07036	28.8
143.08614	5.6
143.12741	3.3
145.06560	3.3
145.10126	62.9
147.08060	5.9
149.06003	4.7
149.09598	7.3
151.07539	12.5
153.05489	3.1
153.12744	9.4
155.07011	11.8
159.11707	18.7
161.09633	10.4
163.11172	47.6
169.10031	6.6
173.09639	27.6
177.01833	7.9
177.06740	4.1
177.12683	3.2
181.12248	64.1
185.04221	3.5
187.11230	31.0
189.12828	3.2
191.10686	38.9
195.06563	4.8
199.13326	14.2
205.12238	41.4
209.11769	21.5
215.10649	31.4
223.13245	4.0
233.11722	45.0
251.12791	33.3
269.13776	11.1
272.42004	3.0
287.05518	27.8
287.10648	21.9
287.13998	13.3
287.20526	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33926	4.7
56.96569	40.2
63.73385	5.0
69.03439	9.2
70.06599	5.8
70.10600	7.9
70.10909	8.3
80.18569	5.2
83.11395	6.1
85.02897	35.2
97.02904	8.4
98.97594	65.0
100.99191	8.0
109.02880	8.6
116.98652	11.9
117.56405	5.2
117.92480	4.9
124.99110	5.2
127.03943	18.7
129.22180	5.0
134.76387	5.5
143.00177	14.1
145.04945	12.1
158.04233	5.2
161.01225	14.0
167.66170	6.4
187.02885	25.1
201.84055	5.4
205.03905	13.1
211.02866	16.9
229.03844	43.7
247.04851	11.7
289.06717	100.0
289.11737	8.3
290.07056	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	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18517	4.9
52.15654	4.5
53.92190	5.5
54.50154	4.6
57.31365	5.4
62.00824	4.9
70.40318	7.1
70.40640	6.8
71.94080	5.0
81.03421	5.4
83.41893	5.0
85.02864	6.6
98.97570	6.5
114.05824	5.1
125.69918	4.6
126.11096	5.9
127.03857	27.0
156.14127	6.3
192.77432	5.2
246.17964	5.0
289.06625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	46.8
61.02923	7.9
65.79429	4.9
69.03428	7.7
70.10666	6.9
70.11007	11.9
80.48868	5.2
85.02905	39.6
93.64146	5.5
97.02890	13.7
98.97585	57.2
100.99141	9.3
103.32468	4.6
108.99126	4.4
116.98631	21.3
124.99206	5.8
127.03918	21.8
143.00159	27.1
145.04944	15.8
158.75050	5.4
161.01225	22.6
169.01781	13.5
179.02304	5.4
180.08742	6.5
187.02823	31.8
205.03842	25.3
211.02771	23.8
223.04636	5.1
229.03842	67.0
247.04880	18.3
251.56007	5.5
289.06735	100.0
289.95059	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	289.0711
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03945	0.7
55.01867	1.8
55.05505	0.8
62.06142	0.7
65.03937	1.6
67.01875	1.0
67.05500	2.6
68.99792	3.3
69.03425	2.2
69.07065	1.1
72.86629	0.7
75.06288	0.6
79.05486	2.3
81.03421	6.3
81.07042	2.6
82.71165	0.7
83.04984	1.4
85.02900	1.6
85.71712	0.7
91.05489	5.9
93.07047	1.6
95.01388	0.7
95.04972	2.5
95.08607	2.0
96.57902	0.6
97.02923	0.8
97.06522	1.4
99.04460	1.2
105.07043	2.3
107.04961	26.7
107.08595	1.0
109.02859	3.2
109.06532	1.4
109.10135	2.1
111.04452	1.7
115.03768	0.7
117.07000	0.9
119.04927	2.8
119.08573	2.0
121.02868	9.4
121.06467	0.6
123.04442	7.2
123.08073	1.5
123.64130	0.7
125.02317	1.0
125.09650	1.3
127.03928	3.3
127.07499	1.2
129.06998	1.1
131.04910	1.3
131.08563	1.7
133.06505	1.1
133.10139	0.9
135.04424	3.1
135.08090	1.1
136.07613	0.7
136.11247	0.7
137.05986	0.9
139.03885	3.1
140.91272	0.7
141.06989	4.0
142.18088	0.7
145.02782	1.8
145.06464	0.8
147.04439	1.7
147.08040	3.0
147.09116	1.2
147.11691	1.2
149.02348	65.5
150.02675	1.1
151.03922	2.5
153.01845	20.6
153.06889	0.9
157.06546	0.9
157.10222	0.8
159.04463	1.5
159.08040	1.9
159.11658	0.7
161.09679	0.9
163.03909	1.9
167.03436	1.7
169.06528	5.9
171.02895	0.8
171.11749	1.3
171.13795	0.7
173.05998	1.4
175.08681	1.2
179.03412	16.1
187.07521	1.8
189.12714	1.4
191.08182	2.1
193.12325	0.8
195.02963	1.6
196.09970	2.0
197.05968	7.2
200.09467	2.2
210.11755	0.7
211.13206	0.8
215.07033	68.1
216.07382	2.4
217.12260	1.6
225.05386	1.7
235.13289	1.5
243.06544	100.0
243.11401	3.6
244.06912	4.2
253.05009	1.6
253.14091	2.3
261.12265	4.5
271.06021	39.6
271.10794	1.4
271.14346	1.4
272.06345	1.4
279.91733	0.7
289.04102	0.8
289.06870	4.6
289.12326	5.5
289.15567	5.4
289.18466	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	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03936	0.8
54.17035	0.6
55.01862	1.2
57.93275	0.7
59.14679	0.6
61.79435	0.6
65.03933	1.5
67.01875	1.2
68.99785	3.5
69.03416	2.0
69.45018	2.5
71.01376	0.6
71.05000	0.8
79.05482	1.6
81.03418	8.1
81.07050	1.3
91.05479	5.3
93.07055	1.3
95.01343	1.1
95.04977	1.3
97.02879	0.8
99.04456	2.1
105.07007	0.8
107.04961	22.4
109.06505	0.7
115.77724	0.7
119.04964	2.4
121.02869	8.9
127.03896	2.2
131.04918	1.3
131.08542	1.0
135.04422	2.0
141.06984	3.1
145.02895	1.5
145.06575	1.5
147.04427	1.6
147.08064	2.3
147.09105	1.7
149.02342	71.0
150.02666	1.2
153.01825	21.4
157.06522	1.0
159.04431	1.3
163.03922	1.0
167.03438	1.6
169.06487	6.3
171.02826	1.0
173.05940	1.5
173.07248	0.7
175.08702	1.4
181.04988	1.0
181.06453	1.6
187.03896	1.3
187.07547	1.8
191.08168	5.2
197.04370	1.1
197.05975	5.8
198.57222	0.8
215.07034	73.7
216.07399	2.3
225.05443	1.5
243.06526	100.0
244.06825	3.1
253.04927	2.6
257.12704	0.9
271.06009	35.4
271.10773	1.4
289.06909	1.5
289.11859	5.3
289.15875	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	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01867	0.6
57.03422	0.4
60.40976	0.2
61.02915	0.6
67.13137	0.2
69.03440	1.4
70.89273	0.3
71.05012	0.3
73.02895	0.3
81.03421	1.0
85.02908	4.4
91.03974	0.4
97.02895	1.4
99.04453	0.2
109.02869	1.0
127.03915	100.0
128.04265	1.7
145.04951	0.7
171.56274	0.2
229.37570	0.2
232.54675	0.2
289.12506	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14721	1.5
53.03946	2.1
55.01877	6.1
55.05510	9.2
57.07069	2.3
65.39141	1.3
67.05507	16.5
69.03417	3.9
69.07063	18.4
69.28217	4.5
69.28629	2.9
71.04990	13.3
77.03932	2.1
79.05491	25.1
81.03397	1.7
81.07057	52.8
83.04977	20.1
83.08629	7.9
84.90424	1.2
85.06535	9.1
91.05480	13.8
93.07040	73.4
94.24598	1.2
95.04961	20.6
95.08605	44.3
97.06527	35.4
99.04452	24.2
99.08057	2.2
101.06053	2.1
105.07024	43.3
107.04961	5.5
107.08590	31.2
109.06520	35.4
109.10152	7.3
109.37982	1.4
111.04477	1.9
111.08086	26.5
113.06004	4.7
117.07024	2.2
119.04961	1.9
119.08584	25.4
121.06503	91.0
121.10160	7.3
121.10874	1.2
123.04444	5.3
123.08063	8.0
123.11709	9.6
125.05999	15.4
127.07558	14.4
129.06993	2.8
131.08568	6.1
133.06499	4.8
133.10121	27.9
135.04430	4.6
135.08046	15.0
135.11726	1.6
137.05994	6.1
137.13278	1.7
139.07538	28.2
139.08574	2.4
141.05406	2.5
142.07808	4.0
143.07043	9.2
143.08577	5.8
145.10132	7.7
147.08060	5.5
147.11687	54.2
147.12883	2.7
149.09627	2.6
149.13263	2.7
151.07561	2.5
151.11183	10.7
156.09357	2.7
157.08618	15.9
157.10135	17.0
159.06502	11.1
161.05917	2.0
161.09673	2.6
161.13245	10.7
163.11198	2.0
163.14816	2.4
165.12755	19.2
166.07764	2.8
169.12213	20.7
171.08018	1.7
171.11665	15.3
171.12868	1.7
173.09601	2.4
175.11182	36.7
175.12639	2.6
181.10135	5.3
184.08788	1.6
189.12727	29.7
191.10570	1.7
191.14232	1.7
193.12236	36.5
193.13971	2.5
194.12602	1.5
199.11174	28.2
207.13815	19.2
211.13269	33.9
217.12230	100.0
218.12660	3.0
225.14995	2.4
229.14351	13.3
235.13283	94.1
236.13737	2.4
249.99495	1.4
253.14348	56.1
253.16985	3.0
271.15359	3.7
289.06061	5.3
289.16000	1.4
291.54175	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	8.6
57.03419	5.2
67.05504	12.4
69.07074	16.8
69.91635	17.3
71.05005	8.4
79.05507	30.0
81.03427	6.1
81.07049	46.6
83.04993	16.1
83.08648	7.3
85.06556	12.2
91.05495	24.1
93.07025	50.2
95.04975	12.1
95.08611	52.2
97.06523	41.8
98.22701	7.1
99.04456	23.6
99.63929	5.6
104.97662	4.9
105.07044	38.0
107.05003	6.3
107.08611	28.0
109.06530	23.9
109.10190	12.1
111.08098	22.8
113.06073	5.4
117.64883	6.5
119.08587	23.0
121.06495	70.1
123.04462	6.0
123.08115	9.0
123.11732	11.3
125.06004	17.4
127.07647	5.4
131.08591	7.5
133.06552	9.1
133.10143	14.4
135.04462	8.0
135.08078	14.2
139.07544	26.6
142.07813	5.8
143.07011	6.1
147.08076	7.0
147.11734	44.0
151.11215	7.6
157.08597	11.0
157.10165	18.2
159.06543	19.2
161.13425	7.6
165.12782	12.4
169.12291	22.4
171.11780	13.8
175.11258	29.1
189.12675	26.8
193.12238	27.0
199.11253	20.6
207.13773	17.4
211.13278	31.1
217.12238	95.9
229.14328	19.8
235.13300	100.0
253.14326	59.1
289.15366	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
51.02368	0.4
53.03931	1.3
53.95150	0.4
55.01862	2.0
55.05510	23.2
55.17746	0.3
56.05836	0.3
57.03424	1.5
57.07072	3.6
59.04982	0.7
64.97829	0.4
65.03922	0.8
67.05157	0.7
67.05502	11.3
69.03421	3.3
69.06717	0.6
69.07068	10.9
69.25777	1.8
71.05003	2.1
71.08613	1.5
73.06536	1.0
77.03915	0.8
79.05491	20.2
81.07052	19.3
82.07404	0.4
83.04969	1.7
83.08614	4.2
85.06533	1.8
88.07632	0.6
91.05476	16.2
93.07042	22.6
95.04977	3.6
95.08603	14.1
97.06526	1.8
97.10161	4.8
98.22611	0.5
99.08091	1.0
103.05437	0.9
105.04524	1.1
105.07026	32.1
107.04935	1.8
107.08591	22.2
109.06517	9.0
109.10162	3.5
111.08078	1.1
115.05463	0.9
117.07010	6.8
119.06065	0.7
119.08577	24.3
121.06503	26.6
121.10136	7.3
122.07310	0.5
123.08056	4.0
123.11678	1.5
125.09605	1.2
129.07021	1.7
130.07768	1.1
131.08562	11.8
132.09309	0.5
133.06505	1.0
133.10127	10.5
135.08044	14.6
135.09067	0.7
135.11697	4.3
137.09598	1.2
137.13293	0.5
141.07018	0.7
143.08586	2.0
144.09306	0.9
145.10114	8.2
146.10883	0.4
146.83286	0.4
147.08058	2.5
147.11694	8.7
149.09622	2.8
149.13274	3.1
151.11176	0.5
155.08514	1.2
157.10162	1.9
159.08040	1.0
159.11700	5.5
161.09634	2.0
161.13249	9.2
163.11171	10.5
163.12439	0.7
163.14822	1.4
165.12747	4.5
167.14311	0.6
168.09277	0.6
169.10106	1.3
171.11673	1.5
173.09645	0.7
173.13205	4.6
175.11229	1.1
175.14828	5.3
177.12743	20.6
177.16235	0.8
179.14340	0.5
183.11757	1.9
185.13295	0.9
187.11227	0.7
187.14812	4.6
189.12721	2.6
189.16391	3.4
191.14301	4.2
191.17943	0.6
193.15726	0.6
197.13234	3.2
201.12683	2.0
201.16371	1.1
203.14337	1.5
203.17987	0.5
205.15884	2.0
211.14833	1.0
215.14337	2.0
219.13751	1.0
219.17448	0.7
227.17880	0.6
229.15868	1.1
229.19496	0.7
233.15329	2.9
233.22639	1.7
243.17398	0.6
243.21036	3.0
247.17014	2.2
253.19495	3.2
261.22122	25.4
262.22485	1.4
271.20557	7.5
289.21603	100.0
290.21948	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	290.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01870	3.6
57.03435	5.0
61.02929	13.3
69.03433	21.0
70.66794	5.0
71.05017	3.2
73.02932	5.7
77.23045	2.6
81.03426	8.4
85.02911	100.0
87.04471	3.4
91.03973	8.6
97.02894	24.1
99.04475	5.4
109.02904	9.2
110.20991	2.4
119.19728	3.1
121.11018	2.5
127.03932	22.8
145.04967	59.6
145.06105	4.7
163.06070	11.3
163.41083	2.9
180.08716	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	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38544	5.2
54.97400	4.7
56.96567	100.0
57.32895	6.8
61.82059	5.9
63.76774	5.8
71.44684	6.5
84.96002	6.7
98.97578	82.7
116.98586	28.6
124.99109	47.8
134.99689	11.0
139.00642	7.6
141.02199	7.9
143.00150	87.2
151.00864	5.5
152.98624	18.2
159.03394	8.2
161.01242	28.1
169.01738	10.5
170.99660	54.5
185.01210	35.6
186.91745	7.4
189.00752	54.9
194.99622	5.4
203.02333	19.6
205.00163	6.7
208.57578	7.0
213.00713	32.2
231.01733	46.0
245.66550	6.2
249.02776	54.9
267.03824	28.9
273.03085	5.8
285.04852	9.8
291.03912	69.7
309.04886	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
51.02384	0.7
55.01868	2.1
55.05513	1.1
60.68277	0.5
64.51968	0.6
65.03946	1.2
67.05500	1.4
68.99785	2.0
69.03416	2.2
70.89015	1.1
73.95477	0.6
81.03412	0.7
83.04972	2.6
85.02871	0.9
91.05482	2.0
93.03423	1.6
95.04953	3.1
95.08595	0.8
98.97599	0.9
98.98476	1.3
107.04977	0.8
111.04430	3.6
115.05462	1.3
119.04949	6.3
123.04427	66.2
124.04767	0.7
126.64481	0.7
127.03954	1.4
133.06454	0.8
133.15002	0.7
137.05956	0.8
139.03897	100.0
140.04236	1.3
143.04910	2.9
147.04402	26.3
149.05959	0.8
151.03911	2.7
157.07593	4.4
158.08459	1.0
160.07635	0.7
161.05962	7.7
163.03928	2.0
165.05470	16.7
169.04927	1.9
173.06010	0.7
175.03886	1.6
175.07477	0.7
177.05476	1.1
179.06985	3.1
181.04874	0.8
189.05443	1.7
199.12338	6.2
203.03391	11.9
203.08243	1.5
204.03864	0.7
207.06523	6.3
214.08275	0.6
214.11046	1.0
227.11884	1.2
229.04938	1.9
229.13268	0.8
231.02907	11.9
231.06505	1.4
233.15274	0.9
245.12915	3.1
249.07629	2.2
273.07568	2.8
273.12311	29.2
274.10626	0.7
291.04922	2.4
291.08606	8.0
291.13373	20.2
291.19553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.64962	0.6
55.01867	1.0
55.05507	8.3
57.07063	3.2
59.04998	2.2
62.35730	0.6
67.05488	3.8
69.03424	2.6
69.07069	2.3
70.12496	1.8
71.04999	3.6
79.05489	9.3
80.32800	0.7
81.07071	5.8
83.04979	2.3
83.08615	9.4
85.02895	1.1
85.06553	1.5
91.05470	4.2
93.07043	11.8
93.23444	0.8
95.04982	6.9
95.08611	16.6
95.09208	1.3
97.06534	7.5
104.99197	0.9
105.07026	7.8
107.04958	16.2
107.08594	8.9
109.06519	7.2
109.10168	2.7
111.04452	1.2
111.08083	38.9
113.09645	2.9
116.98559	0.7
117.07047	0.9
118.20721	0.6
119.08575	8.1
121.06509	1.9
121.10154	7.3
122.07281	1.4
123.08068	35.6
123.11694	1.0
125.09620	3.2
128.06178	0.9
131.08569	4.9
133.06456	3.4
133.10138	7.6
135.08060	5.3
135.11685	2.9
137.09624	2.7
141.05447	1.1
142.07813	1.5
143.08582	1.7
145.10101	5.0
147.08031	2.7
147.11670	5.7
149.09586	6.7
151.07539	100.0
152.07930	1.5
155.10669	3.6
156.09348	1.8
157.10146	5.5
158.10886	0.9
159.08090	1.8
159.11696	1.5
161.09616	2.7
161.13272	1.9
163.11214	3.0
165.09090	1.4
167.10703	1.6
169.12306	0.8
171.11707	3.2
173.09581	2.0
173.13286	9.6
174.10379	1.5
175.11247	5.7
177.09123	2.4
179.10654	4.6
181.12183	2.0
181.47363	0.8
182.10854	0.7
187.14830	1.6
189.12741	26.3
190.13519	1.2
191.14301	17.5
192.11450	4.3
193.12209	0.7
197.11725	12.4
197.13293	1.6
199.11104	1.0
203.14296	1.0
205.12206	1.0
207.13803	65.5
208.14156	2.0
211.13322	2.0
213.16484	1.5
215.14313	3.7
217.12254	3.7
227.93196	0.7
231.17508	2.3
233.15370	54.3
234.15715	2.6
235.13344	2.3
249.18478	2.2
255.17479	1.8
269.10483	1.5
273.18524	5.4
291.19540	58.4
291.27234	3.2
292.19913	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	292.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.91254	0.5
55.01877	1.1
56.56763	0.6
56.96578	0.7
57.03435	1.7
61.02924	2.1
65.21340	0.6
69.03437	4.5
70.53913	0.6
70.99577	10.9
71.04978	3.0
73.02927	1.2
81.03416	1.9
81.52569	0.5
84.08092	0.8
85.02903	16.4
87.04502	0.8
91.03963	1.0
97.02892	4.8
98.97592	1.0
104.05579	0.6
109.02892	1.4
112.02193	84.2
113.05981	2.2
118.35220	0.6
127.03923	2.7
129.48289	0.6
130.03229	100.0
131.03546	1.5
131.04915	1.6
131.07074	3.3
145.05003	3.3
145.05917	0.6
147.04411	1.0
154.08606	1.1
159.04384	2.6
176.04773	0.9
177.05489	0.8
187.03860	1.7
191.03371	0.9
193.05006	1.2
195.02899	0.7
202.45505	0.7
205.04950	1.2
209.04231	1.0
215.03334	1.4
219.02895	0.9
219.06493	1.7
221.04512	2.1
243.02698	0.7
247.02054	0.7
247.06036	4.1
263.05490	2.2
275.05603	3.4
292.08524	3.3
293.03235	0.7
293.06473	2.5
293.14706	0.8
303.24304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70009	1.0
55.01864	3.2
55.05499	4.1
57.03448	2.0
61.02634	1.8
61.02925	21.6
67.05504	3.6
68.46030	1.0
69.03431	2.6
69.20457	5.8
71.05003	1.4
73.02924	2.6
73.52243	1.1
79.05492	4.3
81.03419	1.8
81.07045	7.4
83.01341	2.4
83.08611	1.8
85.02901	3.1
91.03959	14.6
91.05502	5.4
93.07041	7.0
95.04967	4.0
95.08602	2.1
97.06522	1.2
98.09713	1.1
98.23503	2.1
103.05466	1.9
105.07024	2.3
107.04935	2.8
109.02858	2.0
109.06514	6.8
110.06889	1.1
111.04430	1.6
111.08082	55.6
119.03389	1.6
119.04887	1.2
119.08560	1.9
121.02827	1.0
121.06510	1.3
122.77819	1.2
123.04429	5.0
123.08044	7.8
131.04921	2.3
133.06474	1.5
135.04373	1.2
137.05971	9.4
139.07545	3.0
147.04442	1.2
147.08049	1.5
149.05960	1.2
151.03870	1.8
151.07547	3.5
153.01790	3.4
155.07027	3.6
159.04453	2.4
162.03040	1.7
163.04030	2.1
163.07587	1.2
165.09157	7.0
167.07095	1.4
167.10701	1.7
169.08597	2.6
171.04407	1.0
176.04709	5.6
177.01804	1.3
177.05408	1.4
178.02560	1.4
179.03339	2.2
187.03874	2.4
192.04164	3.7
193.04976	2.2
193.08629	2.5
195.02913	2.2
195.10240	5.0
203.75294	1.2
204.04175	2.9
205.04977	2.6
211.09669	41.7
215.03400	2.9
216.04218	1.5
219.06563	3.2
221.04433	3.6
229.10710	19.3
231.14905	1.8
232.03647	1.5
233.04437	3.0
239.09138	16.1
243.02945	3.2
247.05954	8.2
257.10199	100.0
258.10571	2.6
263.05508	5.4
265.06845	1.1
274.10400	1.3
274.12869	4.1
275.05505	9.5
282.14606	1.1
293.06564	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60892	0.7
54.80534	0.7
56.96565	11.7
57.40479	0.7
69.42795	3.7
76.90947	0.7
79.26665	0.7
81.40152	0.7
83.51239	0.8
98.22721	1.5
98.97582	95.7
116.98621	50.1
130.93306	1.1
134.99657	16.2
136.39398	0.8
140.00198	0.8
163.03606	0.8
172.93047	0.8
172.94270	3.9
177.00906	5.5
184.06033	0.8
190.95390	3.3
203.02527	3.5
208.96248	0.8
214.95430	2.2
219.01962	1.8
229.00545	1.6
232.96417	6.5
247.01494	21.1
248.01596	1.1
250.97418	2.9
256.96448	12.9
270.02921	1.0
274.97501	100.0
275.97797	1.2
292.98544	54.3
293.99127	1.7
297.99033	1.7
310.99503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0293
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
53.00309	0.7
55.01851	0.6
57.03412	0.5
65.03954	0.5
67.05480	1.1
67.39959	0.4
69.03418	1.8
69.11526	2.2
71.01337	1.3
71.04993	9.6
77.03938	0.4
79.05499	3.2
81.03410	1.1
85.02899	1.6
88.72603	0.4
89.02385	1.9
89.03907	0.8
91.05476	1.1
91.22569	0.4
93.03413	0.5
93.36377	0.3
95.04960	1.2
95.08587	1.3
97.02852	1.1
98.22680	0.8
99.00807	0.7
99.04517	0.4
107.04955	3.3
107.19299	0.3
112.40912	0.4
113.06001	7.7
113.09691	0.7
113.10537	0.3
117.03369	1.6
119.04926	0.9
121.02847	0.6
123.04408	0.6
127.03917	1.3
131.04875	0.5
131.07042	8.8
133.02834	0.8
135.04404	2.9
145.02861	2.1
147.04373	2.1
149.02283	1.1
151.03905	1.5
152.86633	0.3
161.10721	2.2
162.11493	1.0
163.03902	26.7
164.04256	1.0
165.41887	0.4
173.02338	1.7
175.03877	1.1
177.01837	14.7
179.03400	2.5
183.93980	0.3
186.11449	0.6
187.12318	1.7
188.13071	0.4
191.03386	51.6
192.03766	1.2
193.04941	1.2
200.09338	0.4
201.01804	1.4
201.13840	1.2
203.03362	1.1
204.99400	0.7
205.01320	14.7
206.01665	0.4
207.02875	5.8
213.10242	0.8
215.11804	1.9
219.02879	100.0
220.03189	3.1
221.04381	1.0
229.01303	1.0
229.13426	1.4
237.03963	2.0
247.02383	24.2
247.14487	1.2
248.02713	1.0
249.03972	1.6
259.49692	0.4
265.03455	3.8
275.01917	5.0
275.11002	0.8
275.13852	5.8
293.02908	76.3
293.14954	11.5
294.03287	3.3
294.18027	0.8
309.98560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11001	1.4
70.57877	2.2
70.58231	1.9
77.91944	1.5
84.92030	1.6
90.30683	1.6
158.19933	1.5
161.99500	3.1
195.20586	1.8
247.04189	1.6
289.60809	1.5
293.06323	100.0
294.06454	2.1
305.21939	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	293.0655
Annotation	Yerrinquinone
Peak:m/z	Relative Intensity
55.01865	5.5
57.03432	4.0
63.02380	1.1
68.96960	1.0
68.99784	3.1
69.03413	4.6
70.24003	2.8
71.01350	2.0
71.04975	2.4
75.63113	1.0
79.05499	1.8
81.03419	2.8
82.97064	0.9
85.02898	40.9
89.03936	1.1
91.05483	3.1
93.07014	1.0
95.04970	1.8
95.08595	3.1
95.72291	1.1
97.02882	1.1
98.44875	1.0
101.02380	3.8
102.04724	1.5
103.05447	6.9
105.03338	1.6
105.07037	2.5
107.04980	1.9
109.02858	4.4
113.05980	2.3
115.05496	4.9
117.03393	1.8
117.07018	2.1
119.04925	6.4
120.02151	1.7
120.05710	2.3
130.04158	2.8
131.04918	46.2
131.07010	1.8
133.02838	9.3
133.06499	1.8
134.03619	1.2
135.04398	1.6
138.03181	2.2
143.04916	2.1
145.02847	2.0
145.06462	1.7
146.03622	2.6
147.04431	10.1
148.05157	3.7
149.02324	2.9
149.05963	2.6
150.03105	10.5
151.03909	8.8
152.01044	1.8
153.05505	7.1
158.03656	2.2
159.04405	77.1
160.04984	2.0
161.02327	7.0
161.05966	3.8
162.03096	7.4
163.03891	8.3
164.04688	2.3
165.05466	5.6
167.03368	1.8
169.02731	1.2
171.04395	8.3
173.06012	1.3
174.03175	1.3
175.03851	8.0
176.04675	36.4
176.85794	1.2
177.01823	10.1
177.05421	10.8
178.02606	12.5
179.03404	12.9
179.07024	2.0
180.00540	5.1
181.04900	6.5
186.03148	3.9
187.03889	56.9
188.04494	2.9
189.05428	4.9
190.02623	2.9
191.03377	20.7
191.05350	2.0
191.06995	14.7
192.04141	3.6
193.01273	3.3
193.04951	37.7
194.02084	4.1
195.02864	26.8
195.04662	1.3
197.02527	1.1
197.04454	2.9
199.03867	7.2
201.05502	3.0
202.02615	5.2
203.03348	13.7
203.07045	1.5
204.04155	26.8
205.01489	1.2
205.04947	20.7
206.02094	5.5
207.02872	4.8
207.06514	3.9
209.04419	15.6
211.02376	4.4
214.02585	4.3
215.03384	38.7
216.04167	14.5
217.04935	12.2
218.02234	2.4
219.03181	6.5
219.06499	48.4
220.03676	2.4
220.06918	1.6
221.04437	55.2
223.02371	10.1
223.05812	5.8
225.03885	1.9
229.04941	10.0
230.02126	2.8
231.02849	3.9
231.06447	6.1
232.03635	13.4
233.04424	13.7
235.02452	1.3
235.05977	12.9
237.04053	3.1
243.02715	6.0
245.04420	7.4
247.06003	100.0
248.06360	2.8
249.03960	3.6
251.05429	1.9
257.04410	9.0
260.03076	6.6
261.03983	1.4
263.05493	40.9
265.07077	2.8
275.05487	87.3
276.05792	3.6
293.06534	86.3
294.06802	3.7
311.07440	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	293.0656
Annotation	(-)-2,3-Dihydrocitromycetin
Peak:m/z	Relative Intensity
51.02381	1.0
53.03937	1.1
55.01874	6.1
57.03429	4.0
59.92781	0.6
65.03943	0.7
66.78106	0.5
67.05475	1.2
68.99763	2.1
69.03426	5.2
69.35059	3.3
71.01331	2.4
71.04638	0.8
71.04992	9.5
73.02889	0.8
77.03922	2.0
79.05472	2.5
81.03390	2.2
83.21060	0.6
85.02903	34.1
89.02376	1.8
91.05463	2.8
95.04949	2.7
95.08598	0.7
97.02833	0.7
98.98464	0.7
100.13435	0.7
101.02374	3.8
102.04674	1.6
103.05476	8.9
104.06220	0.7
105.03376	1.7
105.04504	0.7
105.07036	1.5
105.91585	0.5
106.04159	1.1
107.04955	1.5
109.02858	2.6
111.04376	0.9
111.43425	0.6
113.06000	6.0
115.05467	6.3
117.07019	1.0
118.04117	1.8
119.04951	6.4
120.02039	1.0
120.05722	1.4
121.02843	1.4
121.06491	1.1
123.04370	0.6
125.05928	0.9
127.03849	0.9
129.06934	0.7
130.04153	2.9
131.04924	45.9
131.07016	8.2
132.05716	0.8
133.02863	9.5
133.06468	2.5
134.03604	1.1
135.04390	2.3
137.02368	1.5
137.05962	1.1
138.03081	1.5
139.03976	0.9
143.04890	2.5
145.02863	0.7
145.06467	2.5
146.03607	1.6
147.04405	12.2
148.05096	2.2
149.02368	2.3
149.05962	2.7
150.03114	9.5
151.03900	7.8
152.01025	2.2
153.05460	8.1
155.04880	1.3
155.06061	1.1
157.02824	0.9
157.06427	0.7
158.03606	2.9
159.04407	77.4
160.04976	2.8
161.02345	8.2
161.05927	3.5
162.03102	7.1
163.03893	7.4
163.07591	0.9
164.04660	3.0
165.01797	0.9
165.05487	5.6
166.02559	0.8
167.03392	2.3
170.03609	1.0
171.04396	6.5
173.02312	1.5
173.05962	1.9
174.03130	2.4
175.03902	6.4
176.04689	32.2
177.01816	11.4
177.05440	13.2
177.60332	0.6
178.02579	9.5
179.03383	14.8
179.07022	2.1
180.00536	6.2
180.03917	0.7
181.04984	5.1
185.02348	1.0
185.05840	0.7
186.03133	5.9
187.03893	54.7
188.04555	3.6
189.05478	4.2
190.02557	3.8
191.03384	19.0
191.07019	14.3
192.04196	3.5
193.01285	2.5
193.04959	35.8
194.02161	3.4
194.05228	0.7
195.02878	21.7
197.02559	1.1
197.04448	4.4
199.03880	6.1
200.43396	0.6
201.05444	2.3
202.02646	4.9
203.03383	15.5
203.06969	2.4
204.04167	27.5
205.01216	0.8
205.04948	22.7
206.02118	5.5
206.05440	0.8
207.02902	4.1
207.06573	2.8
208.03635	0.9
209.04457	11.9
211.02361	4.1
214.00708	0.8
214.02519	3.2
215.03380	37.8
216.04184	13.5
217.01370	1.4
217.04936	11.5
218.02087	2.6
218.05624	1.2
219.03152	7.4
219.06502	45.3
220.03654	3.6
220.06837	1.5
221.04439	50.7
222.04883	1.2
223.02437	5.6
223.05949	5.5
225.03914	1.5
227.03397	1.5
229.04933	10.1
230.02113	2.9
231.02907	5.1
231.06480	7.1
232.03644	13.6
233.04449	12.8
234.05087	0.8
235.02419	0.7
235.06023	10.3
237.03946	2.9
237.07408	0.6
242.02087	1.2
243.02856	9.2
245.04428	8.6
246.04980	1.0
247.06007	100.0
248.06313	3.3
249.03873	2.8
249.07692	0.7
251.05547	2.2
257.04462	8.8
260.03119	6.9
261.03995	1.8
263.05499	37.8
264.05814	1.2
265.07040	2.5
267.05029	1.1
275.05490	81.9
275.13791	1.8
276.05954	2.4
284.20270	0.6
293.06537	82.0
293.14981	2.5
294.06842	2.6
311.07578	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	293.1233
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.00207	1.3
59.19003	1.2
62.45964	1.2
63.39736	1.2
64.92947	1.4
67.05502	6.2
69.03446	6.6
69.66992	2.1
69.67377	5.1
71.01360	7.4
71.04998	100.0
74.82481	1.5
85.02899	10.2
89.02396	18.6
93.76816	1.3
93.79002	1.7
94.18981	1.4
95.04979	6.6
98.22753	2.9
98.23368	3.2
106.42816	1.9
113.06012	74.3
124.11248	1.5
131.07045	97.9
141.34415	1.6
145.04915	1.9
208.51237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06568	1.1
61.02931	1.5
67.05502	5.4
69.03439	5.8
69.28260	2.6
69.28670	4.2
71.01360	6.8
71.04996	89.0
75.09879	1.0
76.65586	1.2
85.02888	7.8
85.06557	1.7
89.02390	18.0
95.04964	6.5
97.02898	1.7
113.06009	60.5
127.03943	1.3
131.07042	100.0
132.07422	1.5
145.04955	1.7
177.61652	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	293.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05513	13.6
55.79521	1.6
57.03440	7.2
59.22104	1.7
61.02925	5.3
67.05499	5.0
69.07070	100.0
69.95020	1.8
71.04991	50.1
73.02924	5.6
75.04477	5.2
79.05508	3.2
81.03410	2.4
81.07053	5.3
82.71167	1.7
83.04985	6.7
83.94456	1.7
85.02908	59.0
91.03943	2.8
91.05472	2.6
93.07047	4.9
95.04965	4.0
95.08611	2.1
98.98471	1.7
105.07056	2.6
105.51708	1.9
107.04993	2.3
109.06564	2.9
111.04454	7.0
111.08076	7.9
111.11723	39.5
112.08426	8.3
113.06014	4.1
121.10184	2.0
122.06050	3.4
124.07606	6.7
126.09190	3.1
129.05482	17.7
129.12756	60.3
131.04994	2.9
131.07045	5.4
138.06287	2.4
147.06490	4.4
147.13799	4.8
150.05528	2.5
152.07086	3.9
163.03876	2.0
167.03435	7.0
170.69626	1.7
193.04921	2.7
212.10045	9.5
215.03549	1.9
230.11110	3.2
235.06133	1.8
240.09514	5.8
247.05905	2.5
247.14207	2.7
258.10574	24.4
275.05402	3.1
275.13293	2.9
293.06662	3.2
293.09891	2.6
293.14749	11.5
293.17905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.88004	1.9
55.01874	3.6
55.05512	10.3
57.03422	2.2
57.07072	4.8
65.03954	2.1
65.26831	1.7
67.05508	24.9
69.07075	21.1
71.04986	2.6
78.84890	2.3
79.05491	18.2
81.07066	27.4
83.04968	6.9
83.08638	3.2
91.05511	15.3
93.07047	23.2
95.04976	9.8
95.08615	20.9
97.06530	3.7
97.10174	2.2
101.06028	3.2
105.07035	24.7
107.04951	5.9
107.08603	14.4
109.06511	9.6
109.10176	8.8
109.70473	1.6
111.08067	1.9
113.05943	2.1
117.07010	6.5
119.08595	14.7
121.06495	7.9
121.10144	5.2
123.08056	4.5
123.11743	2.3
131.08562	12.4
133.06509	2.1
133.10120	13.7
135.00287	2.0
135.08064	2.3
135.11670	3.5
137.09604	2.3
145.10129	12.1
147.08075	2.6
147.11697	11.2
149.09682	4.5
149.13289	2.0
151.11208	6.5
155.08499	1.9
157.10149	3.9
159.11707	7.1
161.09648	2.5
161.13225	2.1
163.11221	5.4
173.09712	2.7
173.13261	4.5
178.06230	2.1
178.40256	1.9
183.11636	3.2
191.14365	3.0
201.12790	2.2
219.13753	5.7
219.17561	2.2
229.19475	2.0
233.11697	3.7
239.17822	2.8
247.20573	2.1
250.98242	2.2
257.18976	9.8
275.20071	100.0
276.20380	3.7
293.21085	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	293.2114
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02418	2.1
53.03959	29.0
55.01882	21.1
55.05520	25.3
56.30070	2.4
57.03443	5.6
57.07084	6.5
65.03951	3.4
67.05513	60.7
69.03452	3.7
69.07081	50.2
71.04993	4.7
79.05505	48.0
80.55185	2.3
81.03430	68.1
81.07066	91.8
83.04990	17.8
83.08633	8.1
85.06567	4.2
91.05489	68.2
93.07058	52.4
94.75734	2.1
95.01321	16.1
95.04980	21.0
95.08620	53.8
97.06533	33.2
97.10162	3.8
103.05466	4.3
105.04546	3.9
105.07043	100.0
107.04971	30.1
107.08597	18.7
109.06542	7.8
109.10184	10.9
111.08098	4.1
117.07023	17.3
119.08601	52.9
121.06548	8.4
121.10122	14.4
123.04387	5.1
123.08080	20.2
123.11714	5.2
125.05943	2.3
125.09679	3.2
129.07008	2.9
131.08588	33.9
133.10150	68.1
135.08115	5.5
135.11726	14.6
137.09607	5.9
139.07507	2.4
141.07021	5.5
143.08589	5.0
145.06473	12.7
145.10141	28.4
147.11714	24.5
149.09660	6.6
149.13245	5.3
151.11246	3.3
155.08607	2.7
157.10149	4.2
159.08017	2.4
159.11713	22.3
161.13335	4.6
163.11198	8.1
165.09167	5.9
169.10159	8.3
171.11763	5.7
173.13278	4.7
177.12793	10.5
179.14343	21.5
183.11742	2.6
187.11264	11.7
191.10817	4.1
195.13806	3.8
197.13274	3.1
205.12375	5.1
209.11781	8.4
219.13821	3.4
223.13306	3.4
229.19502	4.0
237.11270	13.6
239.17978	4.0
241.14455	7.1
247.20677	3.1
257.19083	8.2
275.20093	91.8
293.21204	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03954	3.1
55.01873	60.2
55.05516	23.1
57.07069	8.5
59.35834	1.9
65.03961	2.3
67.05501	26.7
69.03419	3.6
69.07079	16.2
69.65007	3.1
69.65353	6.7
79.05492	34.0
79.14172	1.9
81.03424	3.0
81.07053	27.7
83.04993	11.9
83.08618	6.1
91.05483	18.2
93.07047	21.9
95.04992	9.7
95.08603	14.3
96.90726	1.8
97.06529	100.0
97.10170	8.9
98.23400	2.6
101.06039	3.1
101.32084	1.9
105.07032	17.9
107.03438	2.2
107.04951	19.7
107.08596	21.0
109.06516	6.6
109.10167	8.6
111.04433	2.8
111.08086	3.9
113.59522	2.1
117.07007	5.8
119.08588	11.7
121.06512	5.0
121.10148	9.7
123.08047	2.8
123.11716	4.0
125.09620	8.0
131.08533	6.8
133.10126	12.7
135.08083	5.1
135.11655	4.9
137.09587	4.5
139.07576	3.9
143.08568	2.8
145.06607	2.1
145.10126	4.8
147.11697	4.8
149.09601	30.8
151.11168	4.8
153.05457	2.6
159.11717	4.4
161.13260	3.3
162.01416	1.9
163.11185	6.3
165.09172	2.6
169.12103	2.3
171.11685	3.1
173.13254	4.1
177.12807	1.9
179.14281	9.7
181.05009	4.6
187.11057	2.4
189.11172	4.2
191.10649	4.2
209.11740	8.3
209.15393	2.5
215.18123	2.8
229.19524	4.6
237.11230	14.8
247.20549	5.8
257.19058	7.7
275.20044	61.7
293.21118	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.01589	2.1
50.21443	1.9
53.64749	1.9
55.05511	18.3
57.03435	26.5
59.80088	2.0
67.05502	29.1
69.03369	2.0
69.07069	10.0
69.58247	4.9
69.58630	6.1
71.04995	4.1
79.05495	49.8
81.07057	36.3
83.08605	11.1
85.06544	7.5
91.05479	42.0
93.07047	65.2
95.04987	10.0
95.08612	29.4
97.06532	5.7
97.10181	4.0
97.28471	2.1
103.05449	3.7
105.07029	48.9
107.04945	3.7
107.07925	3.4
107.08596	34.4
109.06514	10.6
109.10155	9.4
111.08064	3.3
117.07013	15.4
119.08572	40.9
121.06521	3.5
121.10161	14.0
123.08037	2.6
129.06985	7.5
131.08563	19.6
133.10129	22.2
135.08093	3.8
135.11700	5.7
141.06989	2.2
143.08580	8.5
145.10136	18.2
147.11694	16.8
147.53809	2.2
149.09624	8.7
149.13336	2.5
155.08553	3.0
157.10144	6.3
159.11700	18.9
161.09564	3.2
161.13268	12.1
163.03893	3.1
163.07547	2.5
163.11156	4.5
169.10118	2.9
171.11740	3.0
173.09743	3.1
173.13260	8.2
175.11232	4.1
175.14780	5.6
177.05466	35.8
177.06927	2.6
177.12888	2.8
178.06250	28.2
183.11678	4.8
185.13251	24.3
187.11238	2.9
191.07033	8.5
191.10782	2.9
193.08569	2.3
197.13269	4.7
201.16389	8.0
201.35316	2.8
203.14319	27.7
205.12277	2.9
205.15979	2.5
209.15442	3.0
215.10684	3.6
219.17438	53.4
221.15370	29.6
233.11731	47.3
239.17953	9.3
257.18988	21.2
275.20044	100.0
276.20554	3.0
293.17099	3.4
293.21024	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.3
55.01370	0.9
55.01875	12.9
55.05510	29.2
55.36304	1.0
57.03437	1.6
57.07055	1.3
59.04994	1.3
65.03934	1.8
67.05162	1.3
67.05507	26.6
69.03425	3.2
69.07071	19.5
69.47129	1.8
69.47491	3.0
71.04985	2.0
77.03915	1.3
79.05493	56.1
79.74194	0.9
81.03426	6.4
81.07057	25.3
83.04980	5.2
83.08616	14.5
83.45223	1.0
85.06556	2.2
91.05479	27.2
93.07043	22.2
95.04975	7.0
95.08598	16.4
96.08941	1.0
97.06528	15.5
97.10168	18.9
98.23386	1.7
101.06029	1.7
103.05443	1.0
105.04583	1.1
105.07029	34.5
106.07362	1.0
107.04945	8.9
107.08593	100.0
108.08899	1.8
109.06522	7.1
109.10165	9.2
111.08108	2.8
113.06026	1.7
117.06997	5.6
119.06075	2.3
119.08588	16.4
121.06519	2.4
121.10134	8.5
123.08092	4.0
123.11726	2.3
125.09629	18.7
129.07008	1.7
131.08578	9.0
133.10138	18.6
135.08081	5.5
135.11694	6.7
137.09579	2.3
141.06950	1.6
143.08571	2.7
143.10664	1.2
145.06514	1.8
145.10147	12.1
147.11684	12.4
149.09618	16.9
149.13268	1.4
151.11150	2.8
153.09070	1.5
153.12709	2.0
157.10115	2.7
159.11696	7.4
161.13271	4.1
163.11205	5.4
165.09111	4.9
169.10118	2.3
171.10281	1.5
171.11702	4.0
173.11827	1.8
173.13289	3.5
177.12761	1.5
179.14297	2.3
181.12230	3.3
183.11661	1.9
184.59912	0.9
187.11191	3.0
187.14848	1.8
189.11238	17.0
189.12843	2.0
197.13219	1.8
203.42212	0.9
205.12256	1.0
213.16345	1.4
227.67841	1.0
239.17928	4.4
247.20576	2.9
257.19022	11.1
265.22638	1.3
272.42892	1.0
275.20068	84.9
276.20419	4.8
293.21075	13.8
293.27609	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	2.6
54.10677	1.3
55.01865	6.2
55.05510	24.8
57.03422	3.5
57.07072	2.6
62.57183	1.2
65.03925	1.9
65.52737	1.2
67.05503	49.4
69.03429	2.7
69.07066	33.7
71.04975	5.3
79.05050	2.1
79.05495	35.8
81.03426	8.1
81.07054	100.0
82.07394	1.4
83.04983	7.8
83.08617	11.1
85.06526	4.3
91.05480	32.5
93.07043	26.9
95.04963	22.3
95.08604	30.3
97.06533	9.3
97.10197	5.4
99.08083	1.9
101.06041	1.5
105.04505	1.5
105.06349	2.1
105.07030	34.1
107.04954	6.7
107.08593	21.6
109.06512	25.6
109.10146	11.4
110.41983	1.3
111.08067	7.9
117.07000	6.7
119.08578	28.2
121.06497	4.5
121.10142	16.4
122.03595	1.7
123.08064	20.3
123.11686	9.3
125.09621	2.6
127.07513	1.3
129.07002	2.9
131.08562	10.3
133.09177	1.9
133.10123	19.9
135.08072	6.7
135.11653	5.9
137.05969	36.5
137.09631	7.3
137.13142	1.4
139.11203	1.7
141.09053	1.1
143.08583	1.5
145.06488	6.4
145.10089	10.6
147.11691	18.7
149.09631	10.3
149.13260	3.4
151.11198	3.4
155.08525	1.4
157.10124	3.9
159.11690	7.5
161.09624	2.6
161.13249	2.9
163.07558	1.4
163.11165	4.4
165.12762	4.0
169.10025	1.3
171.11668	2.5
173.09578	1.3
173.13188	5.9
175.11052	2.3
175.14813	1.3
177.12727	3.9
187.11220	1.6
187.14749	2.4
191.10608	2.0
193.12326	1.8
197.13226	2.5
201.12730	2.2
207.13806	2.2
209.11697	2.3
215.14436	1.2
227.50586	1.2
229.19562	2.4
233.11551	1.4
233.15250	1.4
237.11224	1.4
237.14806	2.6
239.17921	3.5
247.20514	5.2
257.18994	5.0
275.20059	56.6
276.20438	2.3
293.17572	3.0
293.21063	39.8
293.24429	2.1
294.21317	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	3.6
55.01870	10.2
55.05511	24.9
55.07494	0.7
57.03414	2.2
57.07074	1.1
57.14134	0.7
65.03925	1.8
67.05505	41.1
69.03412	2.5
69.06712	1.2
69.07067	22.1
70.07162	2.1
71.04985	3.1
71.08597	1.1
75.01429	0.8
77.03907	1.1
77.22765	0.7
79.05493	38.4
81.03428	6.5
81.07053	56.8
83.04990	6.7
83.08622	10.8
85.02905	0.8
85.06535	2.3
91.05482	28.5
93.07045	26.3
95.04976	12.4
95.08604	27.7
97.06529	15.0
97.10175	12.0
98.22810	1.3
98.97571	1.2
99.08077	1.4
101.06010	1.9
105.04500	1.4
105.07027	34.8
107.04962	9.6
107.08590	46.0
109.06516	14.6
109.10168	13.1
111.08051	4.0
113.05995	1.3
115.05473	1.0
117.07005	8.5
119.06025	0.9
119.08579	22.9
121.06516	5.8
121.10136	16.9
123.08078	6.9
123.11700	6.7
125.09628	12.2
129.07011	3.4
131.08565	14.2
133.06435	1.2
133.10132	25.4
135.08084	6.1
135.11691	7.2
137.09604	7.2
137.13234	1.0
139.11166	1.6
141.06982	1.6
143.08546	2.2
145.06487	2.2
145.10141	13.0
147.05446	0.8
147.08006	2.2
147.11679	15.2
149.09613	18.2
149.13258	3.6
151.11160	7.4
153.09138	0.9
153.12715	1.2
155.08524	2.0
157.10167	4.1
159.11716	10.7
161.09621	2.1
161.13277	6.6
163.11154	10.3
165.09111	4.2
165.12733	3.6
169.10124	2.3
171.11710	2.7
173.13248	7.3
175.11209	3.3
175.14832	1.1
177.12740	3.5
179.14320	1.6
183.11708	2.2
185.13251	1.1
187.11171	4.2
187.14793	1.9
189.11174	5.7
189.12665	1.0
191.14314	2.1
192.71758	1.0
193.12263	1.7
195.13718	1.3
197.13248	3.3
201.12575	1.2
203.12697	0.9
205.12311	1.1
211.14838	1.3
213.16362	1.4
215.14235	2.1
215.17880	2.3
219.13780	1.4
221.86986	0.8
229.19505	4.5
233.19063	0.9
235.16978	1.0
239.17975	6.3
247.20525	6.5
257.18982	15.6
265.21497	1.4
275.20062	100.0
276.20389	4.4
293.13980	1.0
293.17532	2.5
293.21051	31.8
294.21500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
57.07076	1.0
66.04724	0.3
67.05498	0.6
69.07063	0.2
70.69840	0.1
71.08633	1.1
71.89236	0.1
79.05489	0.6
81.07059	0.9
81.21922	0.1
83.08596	0.2
88.07645	0.2
91.05487	0.6
93.07018	0.3
94.04186	1.8
95.05002	0.2
95.08609	0.2
97.10154	0.3
98.23435	0.4
105.07059	0.1
107.04937	0.3
107.41619	0.1
109.06487	0.4
122.03645	6.7
125.09641	0.2
137.05974	100.0
138.06310	1.7
141.12737	2.8
145.06461	0.3
158.15425	1.1
161.82870	0.1
170.15405	0.7
189.11182	0.2
261.44202	0.2
277.21646	0.7
294.20703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02383	0.1
55.01879	0.2
55.05491	0.2
57.07071	0.5
62.21838	0.1
63.40891	0.1
65.03934	0.2
66.04728	0.3
66.83854	0.1
67.05507	0.7
69.07089	0.1
79.05503	0.7
81.07061	1.9
88.07639	0.2
91.05512	0.5
94.04185	2.3
95.05011	0.2
97.10236	0.2
98.23460	0.5
102.09132	0.2
107.04961	0.4
109.06470	0.2
122.03651	7.3
122.04539	0.4
123.04082	0.2
123.11707	1.2
137.05981	100.0
138.06317	1.8
139.11200	0.3
158.15401	1.3
163.81239	0.2
170.15424	1.9
181.05275	0.1
185.70140	0.1
187.25810	0.2
238.11539	0.2
272.22488	0.2
287.18283	0.2
294.20551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95834	0.8
69.03427	1.2
70.38181	1.7
81.03420	1.3
85.02917	2.7
97.02872	1.4
101.00912	0.9
102.96859	1.3
119.01982	1.2
127.03944	0.8
221.05069	4.0
223.01018	1.0
235.04471	1.3
241.02037	0.8
253.05693	0.8
293.47342	0.7
295.07898	100.0
296.08246	3.6
313.07764	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	295.0816
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
55.01876	2.0
57.03439	3.2
61.02919	0.8
68.24056	0.3
69.03423	0.9
69.07060	1.1
69.22295	0.7
69.22696	0.8
70.71557	0.3
71.01342	0.4
73.02930	3.7
73.06549	0.3
75.04485	0.4
79.05473	0.7
81.03412	0.3
84.04480	0.3
85.02909	2.9
89.03919	2.5
89.54892	0.2
91.05495	1.7
95.04976	0.5
97.02876	0.6
98.23300	0.9
98.97611	0.3
99.08113	1.6
101.02393	1.0
103.03955	8.2
103.05435	1.5
105.07058	0.7
107.04966	1.4
109.02821	0.3
111.04452	1.4
115.05472	3.2
115.07581	1.4
117.03401	2.9
117.07024	0.5
117.09123	0.8
119.04947	1.0
120.08105	0.4
123.04405	1.0
128.16119	0.3
129.07025	1.0
131.04942	2.5
133.06500	0.9
133.08601	0.3
135.04428	21.0
136.04726	0.6
137.02342	2.1
137.05908	0.4
139.03888	2.4
139.05411	0.5
141.06999	1.2
143.04936	4.8
145.02870	2.8
145.06497	1.2
147.04425	10.9
147.05592	0.6
147.07999	0.3
149.06027	1.8
149.07008	0.4
155.04907	0.3
157.06500	2.5
159.04425	1.1
160.05075	0.3
161.04700	0.6
161.05992	10.4
163.03915	100.0
164.04256	2.3
165.05518	1.8
167.03432	1.0
167.04906	0.4
169.06480	1.2
171.04442	1.9
173.05997	2.0
175.03932	7.0
175.07552	1.1
177.05490	5.5
179.03444	2.1
181.04971	1.4
185.04497	0.4
185.05952	2.6
187.03868	1.8
187.07532	0.8
189.05482	12.2
191.03409	2.2
191.06995	0.6
193.04982	40.4
194.05357	1.3
197.05960	0.5
199.03920	0.5
200.04681	0.3
201.05551	1.3
203.07036	3.1
205.05000	4.1
207.06534	1.1
213.05481	5.5
215.03398	0.6
215.07025	1.8
217.04999	6.8
217.07091	0.3
218.05533	0.3
218.62370	0.3
229.04984	0.8
231.06537	6.1
233.04260	0.6
235.06033	5.4
241.04988	0.8
247.05994	0.7
249.07545	0.9
259.06027	4.3
260.06375	0.4
274.87589	0.3
277.07062	3.0
295.08124	19.5
296.08456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1657
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
55.05506	0.7
66.42936	0.2
69.07050	0.5
69.91679	0.2
70.06600	0.3
73.02901	0.3
85.02893	0.7
91.05459	0.3
97.02853	0.4
97.10159	0.9
98.23087	0.3
102.56072	0.3
105.07066	0.3
115.11204	0.4
134.08156	0.6
136.06175	2.0
136.07544	0.7
136.09950	0.5
148.09911	1.1
149.02287	0.3
150.07744	2.9
150.11525	1.0
154.08664	0.3
161.10765	0.4
161.38646	0.3
161.85773	0.2
162.04117	1.1
163.12314	19.6
164.13107	9.6
165.13388	0.3
174.11514	1.1
175.12296	1.0
176.13092	1.3
177.13885	1.8
187.12315	0.5
188.13083	2.1
189.10260	0.8
189.13889	10.9
190.14684	1.8
191.82802	0.2
202.11008	0.6
203.11758	0.7
203.15436	6.4
205.13426	1.3
205.17029	0.5
213.13918	0.5
215.11795	5.0
216.12498	0.6
217.13376	8.5
221.30554	0.3
231.11349	0.5
231.14946	11.1
232.15283	0.4
233.16463	0.4
235.14354	0.4
249.16002	10.5
250.16428	0.4
259.14441	3.6
262.13214	0.3
277.15491	37.1
278.15848	1.1
292.04739	0.3
295.16541	100.0
296.16888	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.3
57.06852	0.7
57.07084	6.1
58.99590	2.3
61.62921	0.5
65.03942	0.7
67.05503	1.5
69.07075	12.5
69.75951	1.3
69.76313	1.1
71.08635	4.0
77.03910	1.4
79.05043	0.8
79.05499	15.7
82.36888	0.5
87.02685	3.8
91.05486	9.0
93.07037	1.4
95.04978	2.8
95.08625	0.8
97.01131	1.0
97.85972	0.5
99.87193	0.6
103.05470	10.4
104.99297	1.5
105.04499	1.5
105.07038	74.5
106.07274	0.6
106.07845	9.8
107.08614	2.8
109.10209	0.7
112.93343	0.5
121.06529	1.2
121.10207	0.8
126.33952	0.6
133.06500	44.9
134.07294	30.0
135.02652	1.1
135.08066	100.0
136.08385	2.1
137.04219	4.9
143.08887	4.0
147.08086	0.7
151.07553	18.8
159.08076	1.0
161.09636	1.6
165.03716	48.0
166.04019	1.0
167.05263	9.5
179.05267	12.4
183.04770	1.2
229.15808	0.9
236.09215	0.6
248.89978	0.7
271.91409	0.7
275.36554	0.6
277.16226	31.9
278.16608	1.0
295.17294	24.8
296.17667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03946	2.5
55.01869	5.2
55.05259	1.8
55.05511	19.9
57.03433	2.4
57.07076	6.8
61.71150	1.3
67.05161	2.2
67.05506	40.4
69.07069	20.7
69.83521	2.4
69.83857	1.7
71.04984	3.3
71.08634	37.0
79.05495	41.0
81.03411	5.4
81.07059	44.5
83.04980	7.2
83.08618	14.5
84.29550	1.4
85.06532	2.4
91.05480	20.5
93.07044	57.4
95.04945	8.2
95.08022	2.6
95.08610	42.8
97.06533	9.7
97.10158	4.9
98.23312	1.9
99.08094	29.7
105.07026	14.4
107.04955	5.9
107.08588	34.7
109.06477	1.7
109.10160	15.4
111.08069	2.9
113.09631	1.6
117.06989	3.2
119.08572	11.7
121.10140	33.0
123.07993	1.4
123.11677	4.1
127.11192	1.7
129.07080	1.5
131.08582	4.5
133.10173	8.8
135.08000	1.4
135.11694	42.3
137.09642	5.3
137.13261	1.6
139.07570	2.1
139.11165	1.9
141.09096	2.6
143.08543	1.4
145.10106	4.2
146.95638	1.4
147.11696	5.6
149.13260	15.0
151.11172	12.5
153.12703	2.4
157.10101	2.6
159.11720	2.6
161.13287	9.3
161.19034	1.2
163.11186	5.8
163.14815	3.9
167.10701	2.7
167.14322	4.1
173.13298	1.7
177.12753	5.2
178.52412	1.4
178.83449	1.5
179.14310	100.0
180.14626	4.0
187.80881	1.3
189.12782	2.5
192.29572	1.3
195.13782	3.6
199.14871	1.3
219.93942	1.5
221.15443	3.4
233.22606	9.5
235.16862	4.5
239.96519	1.6
241.19463	2.6
243.21132	3.7
245.60941	1.4
259.20605	3.6
261.22131	6.1
264.71869	1.6
272.68475	1.4
277.21619	44.8
277.24490	2.8
278.21725	2.3
279.23083	6.8
280.35803	1.4
295.22849	1.9
296.25790	7.8
317.56415	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.76685	1.8
53.03950	14.6
55.01865	6.1
55.05507	27.2
57.03431	3.7
57.07073	8.5
65.03937	2.3
67.05157	3.9
67.05508	55.0
69.03422	2.9
69.07069	36.6
69.18302	7.4
69.18704	3.9
71.04992	2.5
71.08637	5.6
71.27300	2.0
79.05494	27.8
79.94921	1.9
80.41238	2.0
81.03417	59.2
81.07054	44.7
83.04984	13.7
83.08618	9.6
85.06527	3.1
85.10190	3.8
90.79034	1.9
91.05481	20.3
93.07037	34.4
95.04977	27.9
95.08599	18.5
97.06572	3.7
97.10188	4.5
99.08095	6.0
104.99268	3.3
105.07021	17.5
107.08600	21.1
108.84051	1.9
109.06509	8.6
109.10161	17.0
111.08117	2.5
117.06998	3.3
119.08604	11.0
121.10138	12.5
123.11706	9.4
125.09623	4.5
131.08554	3.1
133.10107	15.2
135.07993	4.2
135.11703	6.5
137.09581	2.6
137.13242	3.8
141.12704	2.2
147.11665	12.9
149.13281	5.7
151.11180	41.7
151.12407	2.6
153.09111	4.3
157.10135	2.8
161.13208	10.2
163.14815	4.7
165.12688	10.1
171.10297	3.3
171.11650	3.9
173.13266	2.4
175.11314	2.7
175.14769	4.2
179.14288	4.3
185.13283	2.2
193.12190	2.4
207.13869	4.5
217.19577	2.9
231.21060	8.4
241.19469	5.9
249.22122	3.6
251.94821	2.0
259.20566	7.7
277.21643	100.0
278.21939	3.5
279.23218	5.4
296.25815	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.27990	2.3
53.03949	13.3
55.01872	5.9
55.05514	24.7
57.07077	7.4
65.39387	2.1
67.05504	42.0
69.03460	3.4
69.07068	39.3
71.04969	2.2
71.08625	5.0
75.74538	2.0
79.05492	36.4
81.03416	49.2
81.07058	45.8
81.07498	1.6
83.04993	8.3
83.08624	10.0
83.69993	2.1
85.06520	3.4
89.69224	2.1
91.05478	16.1
93.07047	34.5
95.04978	28.1
95.08614	17.3
97.06519	4.3
97.10162	7.3
98.22614	4.7
104.99265	6.2
105.07039	18.7
107.08572	23.5
109.06545	6.7
109.10161	9.8
111.08073	4.2
117.07016	4.6
119.08598	9.9
121.10140	15.1
123.08068	2.7
123.11735	5.1
125.09641	5.9
131.08609	3.1
133.10153	14.9
135.08109	2.6
135.11684	10.6
141.12700	2.6
145.10159	5.0
147.11702	12.4
149.13245	11.1
151.11186	24.5
151.14952	2.3
155.56979	2.3
161.13234	15.9
163.14821	5.0
165.12761	3.3
171.09972	2.4
171.11679	4.4
173.13281	5.0
175.14804	5.5
179.14319	2.4
185.13173	3.0
189.12788	3.9
199.14743	3.5
207.13832	4.8
221.15501	3.6
231.21042	4.8
233.22684	5.6
241.19534	10.0
248.89871	3.9
249.22195	4.4
255.58353	2.5
259.20624	5.8
261.22305	2.5
277.18539	5.2
277.21609	100.0
279.23233	2.7
296.25504	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03955	5.9
55.01880	17.5
55.05516	47.1
57.07074	9.2
67.05508	68.5
68.50060	2.0
69.07074	28.0
71.05000	4.7
71.08634	45.4
71.43957	2.3
79.05493	38.9
81.03427	9.5
81.07058	58.0
83.04979	16.2
83.08627	31.0
83.58664	2.3
84.43159	2.2
85.06538	4.6
85.10186	6.4
91.05481	32.7
93.07049	37.3
95.04959	15.3
95.08607	43.0
97.06515	11.7
97.10177	20.5
99.08096	39.0
105.04500	2.9
105.07037	25.3
107.04974	4.7
107.08588	27.5
109.06551	7.4
109.10163	19.0
111.08092	25.7
113.09645	9.4
117.07036	6.2
119.08584	18.7
121.10152	16.7
123.08060	7.6
123.11729	5.0
125.09630	19.3
128.55353	2.6
129.06998	2.8
131.08556	4.7
133.10155	19.5
135.08084	3.7
135.11717	19.1
137.09641	6.3
137.13347	2.8
139.11205	5.4
143.08559	5.0
145.10129	9.8
147.11684	16.0
149.09662	5.5
149.13264	10.8
151.11194	35.2
153.09091	2.7
153.12738	4.9
157.10123	4.6
159.11653	3.5
161.13251	15.7
163.11177	12.0
163.14871	3.8
165.12737	14.2
167.14308	3.0
169.99599	2.4
171.11728	4.0
173.13335	2.9
175.11212	3.1
175.14864	4.1
177.12733	4.8
179.14372	13.9
185.13271	6.4
189.11252	15.8
193.15923	3.9
221.15434	4.8
224.71049	2.5
231.21095	4.9
241.19574	7.9
242.11090	2.6
249.22202	6.8
259.20618	15.3
277.21619	100.0
278.21893	5.7
295.19202	3.6
295.22675	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03934	5.7
55.01880	32.9
55.05510	45.6
57.07072	6.9
67.05510	66.1
69.03428	5.8
69.07068	26.4
71.04996	6.6
71.08627	18.7
73.02910	3.1
79.05497	36.3
81.03423	16.4
81.07061	75.9
83.04990	15.6
83.08629	33.5
85.06549	2.5
85.10190	12.9
91.05492	30.0
93.07048	39.3
95.04987	18.1
95.08614	42.5
97.06532	17.1
97.10157	15.1
99.08107	21.9
99.81898	2.5
105.07043	27.1
106.97845	3.0
107.04922	4.1
107.08607	28.8
109.06526	7.2
109.10152	19.9
111.04433	2.6
111.08089	39.7
113.09667	18.0
117.07041	4.1
119.08585	18.4
121.10163	18.3
123.08078	5.1
123.11720	10.2
125.09626	14.2
131.08600	7.7
133.10130	24.6
135.11678	15.3
137.09601	4.3
137.13246	2.8
139.11182	10.3
145.10149	9.0
147.11708	24.8
149.02376	2.9
149.09592	7.5
149.13274	15.1
151.11200	24.3
153.12672	3.1
157.10210	3.9
159.11667	4.8
161.13283	11.5
163.11192	8.8
163.14867	5.1
165.12764	28.8
167.03462	9.7
168.17516	8.9
171.11682	4.9
175.11241	5.0
175.14856	6.5
177.12759	3.7
179.14386	12.5
185.13246	6.3
187.13397	2.6
189.11287	7.2
193.12393	3.0
193.15919	2.9
201.73520	2.4
207.13730	3.6
225.59373	2.6
231.21277	5.0
241.19548	6.6
249.22154	4.3
256.20767	2.5
259.20575	18.5
277.21634	100.0
278.21964	5.4
295.15103	11.3
295.22699	57.5
296.23187	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	297.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03946	4.6
55.01871	0.2
57.03418	0.3
68.02683	0.1
68.77407	0.1
69.03426	6.3
69.76318	0.3
69.76643	0.3
71.04991	1.1
79.01855	4.4
81.03416	35.4
82.03760	0.5
84.53256	0.2
85.02891	1.2
97.02890	6.5
98.97597	0.3
99.04447	2.6
107.01317	2.2
109.02878	14.5
110.03210	0.2
123.00845	0.2
125.02342	3.7
127.03913	5.5
143.03400	6.4
151.60147	0.2
153.01823	100.0
153.02884	5.4
154.02155	2.0
159.04416	0.2
171.02876	5.0
179.03374	0.3
181.01251	0.3
191.03561	0.2
205.05003	0.4
207.02933	0.3
233.04456	0.4
274.97430	0.2
297.06046	25.4
298.06458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03697	0.3
53.03950	5.2
54.62312	0.2
55.01876	0.3
57.03431	0.3
69.03432	7.1
69.33643	0.9
71.01366	0.2
71.04996	1.3
79.01855	4.3
81.03419	36.2
82.03758	0.5
85.02914	0.8
97.02895	6.8
97.18200	0.2
99.04459	2.7
107.01323	2.0
109.02882	14.6
125.02353	3.8
127.03918	5.5
127.53498	0.2
143.03406	6.8
153.01833	100.0
153.02884	5.3
154.02190	2.2
159.04428	0.3
165.29218	0.2
170.02069	0.3
171.02888	5.1
175.05847	0.2
176.08685	0.2
177.05493	0.2
177.85359	0.2
179.03432	0.2
181.01270	0.3
191.03339	0.3
193.04869	0.2
202.61520	0.2
205.05009	0.3
207.02866	0.3
233.04517	0.5
237.03932	0.2
261.03900	0.2
279.05133	0.3
280.66113	0.2
297.06055	25.9
298.06403	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	297.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
51.17156	0.2
53.03952	4.0
55.01878	0.4
57.03445	0.3
57.46728	0.2
61.37212	0.2
69.03435	3.9
71.04996	1.0
71.10433	0.2
73.48352	0.2
77.03413	0.2
79.01859	4.2
81.03424	23.2
82.03756	0.4
85.02933	0.4
97.02902	7.2
98.22923	0.2
98.23553	0.2
99.04465	2.2
107.01316	1.8
109.02892	11.0
125.02356	3.7
127.03920	5.4
143.03410	6.3
144.03735	0.2
153.01839	100.0
153.02908	5.6
154.02148	2.1
165.55229	0.2
171.02907	4.9
181.01321	0.6
205.04935	0.2
207.02882	0.2
233.04379	0.3
261.04089	0.2
279.04987	0.2
297.06076	16.6
298.06360	0.6
307.71118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1124
Annotation	p-coumaryl p-coumarate
Peak:m/z	Relative Intensity
55.01872	2.5
55.05503	1.9
56.96568	3.3
57.03453	0.5
57.23233	0.6
65.03943	1.8
67.05504	5.2
69.07072	3.0
69.17135	3.4
71.04992	1.2
79.05489	5.0
81.07070	7.1
83.08646	1.0
85.06541	0.7
91.05483	24.2
91.06061	1.2
93.06503	0.5
93.07038	3.1
95.04999	0.7
95.08618	6.0
97.10190	1.0
98.97581	17.3
103.05450	2.4
105.07034	16.7
107.04955	8.7
107.08599	2.4
109.10162	3.0
115.05491	1.5
116.06288	0.8
116.98622	13.0
117.07024	1.2
119.04945	50.9
119.08572	1.1
120.05334	1.0
121.02877	7.4
121.06481	0.6
121.10143	1.3
123.11722	2.0
128.06223	5.7
129.07002	9.6
131.04883	0.9
133.06493	28.4
133.10135	1.3
134.07278	31.5
134.99681	5.2
135.07646	0.6
135.11647	0.6
136.06114	0.6
137.13255	0.6
140.00195	0.7
145.06558	0.8
147.04410	100.0
148.04732	2.1
151.07562	0.7
153.00668	0.9
153.01785	0.9
155.06073	1.0
157.06493	15.1
159.04404	1.9
161.13239	0.8
167.04941	0.7
172.94415	0.8
185.05986	34.2
186.06207	0.8
195.08014	0.6
203.07024	8.6
205.10309	0.7
215.08571	1.1
218.07277	0.9
232.96432	1.8
233.09636	1.8
236.08353	0.9
237.09131	0.8
243.07950	0.8
250.97542	1.1
251.10614	2.4
256.96429	3.7
261.09146	5.4
261.22128	1.6
264.07910	0.9
274.94519	1.1
274.97491	18.9
279.10162	58.4
279.23209	6.8
280.10480	2.5
292.98563	10.0
297.10992	6.4
297.16730	1.4
297.24368	1.0
297.99142	1.9
315.99820	0.6
317.26443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78467	0.4
56.96569	10.5
68.83508	0.4
69.29359	0.9
69.29763	1.3
71.95265	0.6
89.39061	0.4
98.97583	100.0
99.97909	0.5
113.09827	0.4
114.22211	0.4
116.98621	37.4
130.93297	1.0
134.99660	6.8
153.00760	0.4
154.93327	0.5
172.94365	4.4
187.58224	0.4
190.95384	2.5
204.05154	0.4
208.96465	0.6
214.93597	0.5
214.95302	2.8
232.96457	6.2
250.97491	2.6
256.96420	17.1
274.97501	81.7
275.97809	2.0
286.05988	0.5
292.98553	39.7
293.98929	0.5
297.99084	1.2
298.97733	0.5
316.98749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96564	9.3
57.03437	15.5
57.84737	0.7
59.04995	2.3
61.02917	1.1
63.03844	0.6
69.03443	1.0
69.22624	2.5
69.23043	1.5
69.35366	0.6
69.50050	0.7
71.95269	0.7
72.54007	0.6
81.03417	1.4
85.02906	3.8
92.52589	0.5
97.02853	0.8
98.97585	100.0
99.97927	0.6
101.06034	5.0
116.98626	42.7
119.07055	12.8
119.07837	1.3
127.03957	0.6
130.93298	1.1
134.99677	9.8
145.04932	1.1
148.08778	0.7
153.01811	1.1
154.02165	2.1
163.08678	0.9
166.36740	0.7
172.94377	5.4
186.04442	0.8
190.95461	3.0
194.09544	0.6
205.39685	0.7
214.95377	1.9
232.96448	5.6
236.82175	0.7
244.84482	0.6
250.97507	2.7
256.96442	14.2
256.99048	1.1
274.97504	87.8
275.97803	1.9
292.98563	43.3
293.98886	0.7
297.14386	1.3
297.99075	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	299.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
57.03428	0.7
61.26025	0.3
66.08740	0.3
67.05497	1.0
69.03440	0.9
69.07072	0.4
79.01860	3.0
81.07072	0.8
83.04992	2.9
95.08630	0.4
98.97566	1.7
107.01296	0.5
107.08582	0.7
109.10153	1.0
111.04456	4.3
112.61736	0.4
116.98640	1.2
117.07095	0.4
117.98947	0.7
119.08585	0.4
119.38350	0.3
125.02361	2.4
129.05547	0.5
134.99620	0.5
137.09612	0.4
143.03409	4.9
145.06467	0.5
148.22279	0.4
153.01840	100.0
153.02888	4.4
154.02174	1.8
179.03398	1.1
181.01357	1.0
187.16241	0.5
193.04912	0.4
201.05486	1.2
207.02922	4.6
217.05000	0.4
219.06528	3.4
221.04488	1.4
223.02347	1.0
235.02910	0.4
235.06013	0.4
237.03868	0.8
245.04483	0.8
263.05542	1.0
274.97528	0.6
275.97968	1.7
281.06570	4.3
293.99106	0.9
299.09726	0.6
299.12894	1.6
299.20148	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	299.0763
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
53.03947	1.9
55.01878	0.8
55.05474	0.3
57.03432	1.0
61.02913	0.3
64.98575	0.2
65.03942	1.1
69.03426	6.3
71.04992	0.7
71.63478	0.2
73.02929	0.5
78.74524	0.2
81.03416	16.9
81.07037	0.3
82.03731	0.4
85.02895	4.6
91.05495	0.5
93.03397	1.9
95.04955	0.3
97.02892	3.2
99.04460	1.6
107.01349	0.4
109.02878	7.5
111.04447	3.8
117.07973	0.2
127.03922	3.7
127.32826	0.3
134.56874	0.2
137.02348	100.0
137.03432	7.1
137.86797	0.2
138.02679	2.2
138.03618	0.3
149.06000	0.4
151.07555	0.2
155.03403	5.1
164.07053	0.3
169.35953	0.2
253.13382	0.3
281.06552	11.1
281.12912	0.4
282.06754	0.4
299.07471	1.3
299.13831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.128
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.01888	1.1
55.05530	1.2
56.96561	2.0
67.05510	2.7
68.15569	1.0
68.99782	1.7
69.07060	2.2
78.73081	1.3
79.05478	3.4
81.07044	3.0
83.04967	2.7
85.06544	1.0
91.05480	24.9
93.07029	1.8
95.04996	2.4
95.08585	2.1
95.66483	1.0
97.02870	1.7
98.22630	2.3
98.97572	9.6
99.97916	3.1
105.07015	4.5
107.04964	10.6
109.10139	1.6
111.04439	3.3
115.05453	4.7
116.98603	5.9
117.07021	13.7
119.04948	24.4
119.05787	0.8
119.08588	3.4
121.06522	2.1
123.04411	1.4
125.02326	5.5
127.03911	2.5
128.06216	1.5
129.07033	3.8
130.07814	2.5
131.04942	5.7
131.08571	3.9
132.05698	4.0
133.06487	4.9
133.10080	1.6
134.99644	2.3
135.04425	2.1
135.08022	2.1
136.00073	1.3
137.05969	14.8
139.03894	31.0
141.07014	5.5
142.07837	1.5
143.08577	2.4
144.05722	5.3
145.06480	51.5
145.10115	8.5
147.04414	38.8
147.08055	10.3
153.01779	1.9
153.05475	14.0
153.06793	1.4
154.07773	2.7
154.53377	1.0
155.06003	4.2
155.08614	6.3
157.06490	1.5
158.07268	8.0
159.08061	2.7
161.09622	5.0
165.05479	36.7
166.06244	3.4
167.06949	2.6
167.08464	1.2
169.10104	14.2
173.09615	41.3
174.10312	4.4
174.87936	1.2
175.11182	1.9
177.05405	2.6
177.31801	1.1
179.08574	2.2
183.08092	3.2
183.11697	2.2
207.07983	2.3
211.07555	1.9
211.11174	13.3
220.08742	1.1
224.08344	1.4
225.09125	3.1
226.39395	1.1
228.80536	1.7
235.11169	4.4
253.08513	6.5
253.12254	5.0
263.10721	1.3
266.09433	1.5
274.97522	2.3
275.97885	7.6
281.11716	22.5
292.98557	2.4
293.98932	4.8
299.12769	100.0
300.13071	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	301.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70577	0.4
56.96108	0.4
56.96570	7.8
69.95751	1.2
71.95264	0.4
90.39279	0.3
90.73026	0.4
90.99832	0.3
98.97589	100.0
99.97925	4.2
100.97204	0.6
100.98180	0.4
101.72961	0.4
101.97166	1.0
102.96883	2.8
116.98631	38.3
117.98975	1.6
120.97948	1.4
124.91046	0.4
134.98697	0.8
134.99669	9.0
140.00232	0.6
174.97714	0.6
177.00948	0.6
216.98747	0.9
219.02031	0.9
229.10818	0.4
231.05176	0.4
231.90906	0.4
234.96481	0.6
234.99817	0.5
240.98633	2.1
241.98946	1.8
258.96927	1.1
258.99774	31.0
259.99936	18.7
260.95901	1.0
260.99707	3.1
261.02982	4.7
277.00812	34.7
277.97443	1.5
278.01001	22.0
278.97076	3.2
279.00455	4.2
283.00012	0.6
295.02084	0.4
295.98557	0.8
296.97934	1.8
300.02332	0.5
300.97699	2.1
301.01212	1.1
302.01306	0.4
302.05716	1.5
318.98669	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	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60703	0.3
65.57267	0.3
66.62569	0.3
69.03414	0.4
70.06586	0.8
71.86246	0.3
72.08141	0.4
78.76433	0.4
80.15237	0.4
85.02889	1.0
89.06040	5.1
90.06350	2.0
93.07030	0.4
95.04967	0.5
96.08143	0.4
97.02905	0.4
105.07038	0.4
113.15704	0.4
121.06510	0.8
121.10183	0.4
121.47871	0.3
122.06078	0.4
133.08577	1.7
134.08943	1.6
136.06184	0.7
138.09129	1.8
139.09544	2.0
149.05934	0.5
150.05534	0.6
153.01805	0.6
178.11626	0.6
178.40201	0.4
189.83344	0.4
227.11909	0.4
252.83244	0.5
255.11224	0.5
284.17780	4.2
301.12552	100.0
302.12793	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03435	1.8
58.06600	3.5
61.02913	1.2
61.13082	1.2
65.03939	1.7
67.05507	31.0
69.03428	14.4
69.07060	7.1
71.04988	1.3
71.44205	1.1
73.02924	1.5
81.03412	5.8
81.07088	2.0
84.08138	1.5
85.02907	31.7
85.03414	2.1
94.06567	2.3
95.04972	48.5
96.05241	1.5
96.08160	1.8
97.02897	33.8
99.04494	2.2
103.03983	2.9
109.02892	7.9
110.28779	1.1
112.07612	31.8
113.06004	3.5
116.76674	1.1
116.98608	1.5
122.06048	4.2
122.09689	5.0
123.04420	2.0
124.07581	3.0
127.03938	5.8
136.07567	3.1
140.07068	100.0
140.10672	5.3
141.07356	1.8
145.04982	2.1
147.99405	1.2
151.03993	1.2
152.07083	1.8
154.08638	6.3
158.11766	9.6
162.09265	1.1
164.07082	1.7
164.63547	1.2
172.11584	1.1
178.08661	4.4
182.08136	64.0
206.08144	13.4
207.57562	1.2
218.08102	2.8
228.12206	2.5
229.12897	4.4
236.09229	2.2
247.02451	1.9
248.09259	9.3
266.10309	1.2
285.00485	1.8
302.12741	9.7
302.15823	15.6
302.19659	24.8
303.01407	11.8
303.05029	4.1
303.13788	5.6
303.19623	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09053	0.8
53.03938	1.4
55.01867	1.4
57.03429	4.5
61.02927	5.9
66.48248	0.8
67.05503	8.9
69.03429	13.2
69.07056	1.2
70.06593	15.5
71.04986	1.5
72.08154	4.6
73.02921	2.9
79.05479	5.4
81.03417	8.1
81.07066	5.7
84.08128	1.2
85.02905	89.5
86.03257	0.9
87.17287	0.8
87.77807	0.8
91.03950	0.8
91.05479	1.6
91.07738	0.8
93.05779	2.0
94.06567	1.9
95.04961	6.7
96.08172	1.2
97.02894	42.2
97.06544	2.2
98.06060	1.0
99.04444	2.1
103.03946	6.6
107.07336	1.1
108.04465	1.1
108.08118	11.5
109.02874	14.1
109.06565	1.2
110.06044	1.1
112.07597	14.1
115.03882	1.1
122.06035	9.0
122.09666	1.2
124.07632	1.0
124.11228	2.0
125.06013	7.5
126.05520	8.5
126.09150	5.3
127.03915	19.5
130.06506	1.0
134.05988	1.1
136.07571	19.3
140.07060	53.3
140.10677	2.1
141.11482	1.5
143.11815	2.3
145.04958	13.4
150.09126	5.7
152.07062	17.7
154.08603	8.0
158.08151	2.4
158.11768	24.4
163.06073	2.0
164.07072	22.4
178.08629	19.0
182.08128	100.0
183.08476	2.1
202.08519	1.7
206.08124	35.9
218.08037	4.1
236.09109	5.7
248.09146	10.7
257.00696	1.1
266.10309	0.9
284.11279	1.1
285.03867	1.1
302.19601	21.6
303.01355	4.2
303.04990	5.8
303.14032	3.7
321.37234	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01861	1.2
57.03432	3.4
61.02924	2.7
65.03941	1.8
67.05505	29.7
69.03428	15.6
69.07068	7.2
69.60326	2.7
71.04995	1.1
81.03427	4.4
84.08129	1.1
84.53194	0.8
85.02905	39.1
94.06556	1.6
95.04969	43.1
95.77804	0.8
97.02251	1.6
97.02892	31.9
97.23306	0.8
97.42769	0.8
99.04456	1.2
103.03954	3.6
109.02869	6.5
112.07603	32.6
113.06010	2.9
118.80000	0.8
122.06011	2.9
123.04465	1.3
124.07578	1.8
127.03915	6.7
136.07578	2.0
140.07063	100.0
141.07430	2.3
145.04977	3.2
150.09132	1.3
152.07053	0.8
154.08603	5.0
164.07167	0.9
167.51794	0.7
178.08650	2.5
182.08127	56.9
183.08508	1.0
190.28101	0.7
206.06378	1.4
206.08128	11.1
210.66640	0.7
218.08139	1.8
220.09912	0.9
236.09163	2.4
248.09187	7.0
260.90598	0.8
266.79599	0.7
302.12531	2.7
303.01361	0.9
312.77368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01872	2.0
55.05509	1.8
57.03425	5.8
61.02917	4.6
61.59608	1.8
65.03934	1.7
67.05497	8.2
69.03429	15.2
69.07061	3.0
70.06592	60.7
71.04969	2.5
72.08153	3.5
73.02909	4.8
79.05499	5.9
80.19067	1.7
81.03418	8.7
81.07037	8.5
82.06571	1.6
83.07339	1.9
84.04487	2.1
84.08150	2.2
85.02908	87.2
91.03914	2.1
94.06596	3.0
95.04976	5.0
97.02895	46.2
98.97574	2.1
99.04486	2.3
103.03941	7.3
108.08104	16.8
109.02879	15.3
110.06029	2.3
112.07607	47.1
116.07076	2.0
122.06017	6.7
124.11232	3.9
125.06010	6.8
126.05516	7.3
126.09138	4.5
127.03915	18.8
136.07568	21.6
137.02368	2.5
140.07062	61.8
140.08171	3.3
140.10721	2.4
141.11493	2.3
143.11769	2.0
145.04964	15.3
150.09131	5.5
152.07072	22.4
153.01846	3.0
154.08644	8.8
158.08157	7.1
158.11761	31.7
161.05936	2.4
164.07076	27.1
173.02342	2.7
178.08624	18.9
182.08128	100.0
201.01846	6.1
206.08116	41.4
206.09961	2.8
218.08153	4.6
229.01315	5.6
229.04997	3.8
236.09200	3.7
247.02332	2.8
248.09271	10.3
257.00827	10.6
259.02417	2.3
266.10425	2.5
267.31232	1.6
275.01804	8.5
285.00323	7.8
285.03702	3.0
302.12372	4.2
302.19608	30.7
303.01321	55.0
303.04974	27.4
321.96930	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	302.1963
Annotation	Floridimine
Peak:m/z	Relative Intensity
52.96221	0.3
55.05499	0.4
67.05495	0.4
70.06573	1.0
70.43819	0.6
72.01577	0.3
73.06541	0.9
76.25810	0.4
76.47385	0.3
77.17445	0.4
81.03435	0.3
81.07046	0.5
82.06603	0.5
83.07351	4.8
84.07673	0.4
84.08144	5.2
86.09698	0.5
91.05486	0.3
96.08106	0.3
97.02891	0.4
97.08891	0.9
100.07643	0.4
109.02904	0.4
110.09681	2.3
112.07587	0.4
116.98601	0.5
122.09660	1.8
124.11224	8.6
137.20593	0.3
140.07076	0.7
140.10696	5.3
141.11479	8.9
153.01677	0.3
158.11758	100.0
159.12128	2.1
167.07080	1.7
193.08673	0.4
231.02931	0.4
247.02475	0.4
257.00824	0.4
258.16995	1.2
275.01920	0.8
278.96854	0.4
284.18576	1.1
285.00351	0.8
302.19598	88.3
303.01318	4.4
303.04932	1.2
303.14206	3.4
303.19864	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0137
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
55.05478	0.2
57.02185	0.2
68.99797	0.4
69.26346	1.0
70.06596	0.3
70.21104	0.2
78.97039	0.2
79.35391	0.2
81.03411	0.3
81.07034	0.3
81.90015	0.2
86.09641	0.3
89.03923	0.2
91.05464	0.7
92.57681	0.2
95.08598	0.2
107.04919	0.3
117.03419	0.5
119.04971	0.3
122.50288	0.2
129.03389	0.4
134.06027	0.8
136.07585	0.4
137.02374	1.5
143.04922	0.3
145.02797	1.5
147.04424	1.1
155.04887	0.3
157.02873	0.7
158.11794	1.1
163.03944	0.8
164.07088	0.4
173.02336	3.3
173.06033	0.3
175.03931	1.0
177.01857	0.3
182.08272	0.3
183.00792	0.3
185.02368	0.6
191.03453	1.4
201.01826	8.3
201.05484	0.4
202.02197	0.3
203.03369	1.6
204.31528	0.2
213.01840	1.0
217.01241	0.3
219.02885	1.3
229.01321	6.8
229.05063	0.6
231.02884	2.0
239.03465	1.6
241.01256	1.0
247.02380	6.9
257.00818	16.5
257.04285	0.8
258.01178	0.7
259.02396	2.2
267.03000	0.9
275.01868	14.5
276.02283	0.6
285.00333	14.3
285.03943	5.3
285.12341	1.5
286.00885	1.0
286.03891	0.3
302.19577	0.6
303.01370	100.0
303.04810	6.9
303.13080	2.3
304.01706	4.3
304.05017	0.2
304.08139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00145	0.1
55.01857	0.3
55.99383	0.1
58.85156	0.1
59.55213	0.1
65.03938	0.6
67.01855	0.2
67.05502	0.2
68.99787	1.7
69.03402	0.3
69.19299	0.3
69.19709	0.2
77.03965	0.1
81.03415	0.5
88.55747	0.1
91.05476	0.1
93.03394	0.6
95.04954	0.7
105.03391	0.1
107.04953	0.2
109.02879	1.1
110.03638	0.2
111.00803	1.8
115.05456	0.1
117.07011	0.3
121.02869	1.9
123.04448	0.6
127.03922	0.4
128.12796	0.1
131.04918	0.4
133.02831	0.2
133.06465	0.1
135.04424	0.5
137.02341	6.7
137.03416	0.3
138.02690	0.2
139.05359	0.1
143.04893	0.2
145.02818	0.2
145.06464	0.5
146.59076	0.1
148.61407	0.1
149.02338	0.8
153.01823	9.0
154.02132	0.2
155.04903	0.9
155.06024	0.1
157.06554	0.2
159.04410	0.2
161.05978	0.5
163.03902	1.3
165.01831	3.4
166.02661	0.4
173.02385	0.1
173.05978	1.2
177.01773	0.2
177.05415	0.1
179.03436	0.3
183.02884	1.3
183.04422	0.8
185.05988	0.1
187.03914	0.8
191.03404	0.3
191.07057	0.1
194.46765	0.1
195.02885	0.4
200.04651	0.1
201.03595	0.2
201.05458	3.7
201.07303	0.2
202.05806	0.1
203.03345	0.1
205.04948	0.4
207.02895	0.3
211.03996	0.3
213.05449	0.2
215.03442	0.2
219.02960	0.3
219.06459	0.5
228.04237	0.5
229.04958	8.7
230.05322	0.3
232.03694	0.1
239.03409	0.3
245.04536	0.1
247.05977	1.3
257.04437	4.5
258.04880	0.2
274.04742	1.2
275.05396	0.3
285.03931	2.4
286.04517	0.2
303.04965	100.0
304.05313	4.6
304.08832	0.2
305.69437	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	0.1
55.01871	0.4
65.03948	0.6
67.01859	0.2
67.05485	0.2
68.99790	2.2
70.69752	0.2
70.70074	0.1
71.01347	0.1
79.05508	0.1
81.03406	0.7
86.15445	0.1
88.02263	0.1
91.99181	0.1
93.03416	0.7
95.04967	0.7
105.03419	0.1
105.07069	0.1
107.04961	0.3
109.02885	1.3
111.00809	2.1
115.05464	0.2
117.07012	0.4
119.04900	0.1
119.30524	0.1
121.02863	2.1
123.04409	0.7
127.03917	0.4
129.07007	0.2
131.04939	0.4
133.06436	0.2
135.04413	0.5
137.02354	7.6
137.03435	0.5
139.03955	0.2
145.02776	0.2
145.06505	0.6
147.04459	0.1
149.02370	0.8
151.03932	0.2
153.01833	10.3
155.04909	0.9
155.06036	0.3
157.06505	0.2
159.04405	0.3
161.05949	0.7
163.03947	1.1
165.01846	3.7
166.02654	0.6
173.02522	0.1
173.05989	1.4
177.01770	0.2
177.05493	0.3
179.03395	0.3
183.02884	1.5
183.04431	1.0
185.05960	0.1
187.03879	1.0
191.03386	0.3
191.07024	0.3
195.02922	0.4
199.23048	0.1
201.05476	4.5
202.05765	0.2
205.04977	0.4
207.02838	0.3
211.03931	0.3
213.05533	0.3
215.03401	0.3
219.02824	0.2
219.06537	0.3
220.61116	0.1
228.04294	0.6
229.04970	8.9
230.05368	0.3
239.03429	0.4
246.05312	0.2
247.05998	1.3
256.10666	0.1
257.04443	5.3
258.04840	0.2
267.02768	0.1
274.04739	1.5
275.05435	0.3
285.03961	2.2
285.08731	0.2
286.04437	0.2
303.04984	100.0
303.81726	0.1
304.05322	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	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01866	0.4
62.21330	0.2
65.03934	0.6
67.01859	0.4
67.05487	0.3
68.05531	0.2
68.99788	2.2
69.03448	0.3
81.03411	0.7
81.07050	0.2
81.28333	0.1
86.27916	0.2
91.05477	0.2
93.03397	0.6
95.04979	1.0
105.03380	0.2
107.04954	0.4
109.02896	1.0
111.00807	1.8
111.04433	0.2
115.05467	0.3
117.07023	0.3
121.02879	2.0
123.04485	0.9
127.03917	0.3
131.04936	0.4
133.06509	0.3
135.04404	0.6
136.07552	0.2
137.02345	8.5
137.03435	0.5
137.05954	0.2
141.05505	0.2
143.04956	0.2
144.13835	0.4
145.02846	0.3
145.06441	0.8
148.26247	0.2
148.66081	0.2
149.02328	0.9
149.06012	0.2
152.26227	0.2
153.01823	9.1
154.02203	0.2
155.04912	1.1
155.05956	0.2
157.06560	0.3
159.04381	0.4
161.05984	0.5
163.03943	1.1
165.01839	3.0
166.02579	0.7
173.02388	0.3
173.05984	1.4
177.01672	0.2
179.03416	0.4
183.02875	1.2
183.04408	1.0
187.03883	0.8
191.03433	0.4
195.02910	0.5
201.01955	0.4
201.05466	4.9
205.04933	0.2
211.03868	0.3
213.05502	0.3
219.03033	0.2
219.06537	0.4
228.04221	0.6
229.04958	9.0
230.05399	0.5
230.88167	0.2
239.03374	2.1
247.02446	0.2
247.06065	1.1
256.03778	0.2
257.00735	0.4
257.01303	0.3
257.04443	5.0
258.04944	0.2
267.02832	0.6
274.04721	1.3
275.01907	0.4
275.05289	0.3
285.00552	0.4
285.03918	6.1
285.07077	0.3
285.12231	0.4
286.04187	0.3
303.04971	100.0
304.05313	4.5
321.55814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.27028	0.1
53.03937	0.1
55.01867	0.3
65.03944	0.5
67.01859	0.3
67.05490	0.2
68.99419	0.1
68.99786	2.1
69.03415	0.2
70.44352	0.1
71.01339	0.1
81.03413	0.6
85.02874	0.1
91.05479	0.1
93.03408	0.7
95.04960	0.9
97.02846	0.1
103.05449	0.1
105.03401	0.2
105.07048	0.1
107.01292	0.1
107.04942	0.2
109.02866	1.1
110.03691	0.2
111.00797	2.0
111.04448	0.1
115.05446	0.1
117.07029	0.3
119.04898	0.1
121.02861	2.1
121.03786	0.1
123.04425	0.8
127.03917	0.4
128.06219	0.1
129.06950	0.1
131.04924	0.3
133.02852	0.1
133.06480	0.2
135.04404	0.6
136.01561	0.1
137.02341	7.6
138.02675	0.1
143.04926	0.1
145.02838	0.2
145.06476	0.6
147.04422	0.1
149.02350	0.9
149.06038	0.1
151.03990	0.2
153.01819	10.5
153.36183	0.1
154.02174	0.2
155.04919	0.8
155.06053	0.1
156.05336	0.1
157.06488	0.2
159.04378	0.2
161.05969	0.7
163.03905	1.2
163.07541	0.1
165.01833	4.1
166.02618	0.6
167.03172	0.1
171.02985	0.1
171.04353	0.1
173.02435	0.1
173.05975	1.4
174.06367	0.1
177.01855	0.2
177.05435	0.2
179.03352	0.3
183.02873	1.6
183.04433	1.1
187.03900	0.8
191.03424	0.4
191.07036	0.2
194.01939	0.1
195.02864	0.5
200.04662	0.1
201.05460	4.5
202.05794	0.2
203.03325	0.2
205.04951	0.5
207.02869	0.2
211.03772	0.3
213.05501	0.2
215.03412	0.2
217.04893	0.1
219.02870	0.3
219.06514	0.4
228.04175	0.5
229.04955	9.4
230.05397	0.3
231.02902	0.1
232.03635	0.2
233.04424	0.1
239.03465	0.5
245.04443	0.3
246.05177	0.2
247.06020	1.4
257.04428	5.5
258.04865	0.2
261.03989	0.1
267.02966	0.1
274.04715	1.4
275.05444	0.5
285.03943	2.3
286.04495	0.2
302.04510	0.1
303.04962	100.0
304.05301	4.6
304.10458	0.1
308.43658	0.1
309.72244	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03907	0.1
53.25550	0.1
55.01877	0.3
65.03622	0.1
65.03934	0.6
67.01858	0.4
67.05499	0.3
68.99418	0.1
68.99790	2.1
69.00160	0.1
69.03426	0.2
69.13770	0.1
69.19239	0.3
71.01384	0.1
73.55910	0.1
79.05506	0.1
81.03420	0.6
86.17670	0.1
91.05486	0.1
93.03409	0.8
95.04980	1.0
98.22588	0.1
98.25433	0.1
105.03403	0.2
105.07016	0.1
107.01354	0.2
107.04943	0.2
109.02880	1.3
110.03674	0.1
111.00802	1.8
111.04446	0.1
115.05471	0.2
115.57446	0.1
117.07007	0.3
119.04972	0.1
121.02865	2.3
123.04430	0.8
125.02357	0.1
127.03924	0.4
129.06992	0.2
131.04941	0.4
133.02843	0.2
133.06505	0.2
135.04391	0.5
136.01550	0.1
137.02344	8.3
137.03427	0.5
138.02756	0.1
139.05426	0.1
143.05005	0.1
145.02827	0.2
145.06474	0.8
147.04370	0.1
149.02338	0.8
149.06013	0.1
150.03122	0.1
151.03854	0.2
153.01820	11.5
154.02121	0.2
155.04913	1.2
155.06030	0.1
157.06465	0.2
159.04414	0.3
161.05989	0.7
162.03059	0.1
163.03912	1.4
165.01836	4.1
166.02620	0.7
167.03262	0.1
173.02393	0.2
173.05983	1.6
174.45221	0.1
177.01840	0.2
177.05434	0.3
179.03401	0.4
183.02867	1.6
183.04424	1.1
184.03168	0.1
185.05879	0.1
187.03889	1.1
191.03427	0.4
191.07005	0.2
193.04970	0.1
194.02165	0.1
195.02881	0.5
200.04688	0.1
201.05463	4.8
202.05794	0.1
203.03394	0.1
205.05017	0.4
207.02943	0.4
211.03813	0.4
213.05441	0.3
215.03342	0.4
217.05013	0.1
219.03134	0.3
219.06563	0.6
221.04474	0.1
228.04164	0.6
229.04953	10.4
230.05301	0.4
232.03725	0.1
233.04443	0.2
239.03503	0.4
245.04430	0.2
246.05199	0.2
247.06004	1.4
257.04440	5.5
258.04800	0.2
267.02985	0.1
274.04749	1.6
275.05423	0.5
285.03918	2.5
286.04514	0.3
303.04968	100.0
304.05304	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
63.66272	0.1
64.32902	0.1
65.03931	0.4
66.32751	0.1
67.01859	0.4
67.05496	0.2
68.99786	2.0
69.03416	0.2
69.32211	0.4
71.01340	0.1
81.03416	0.5
82.50769	0.1
83.01306	0.1
90.05746	0.1
91.05472	0.1
93.03415	0.5
95.04971	0.6
105.03407	0.1
107.01291	0.1
107.04945	0.2
109.02863	0.9
110.03632	0.1
111.00806	2.0
111.04463	0.1
115.05468	0.2
117.07000	0.2
119.04926	0.1
119.47224	0.1
121.02867	2.0
123.04435	0.5
127.03906	0.3
128.06242	0.1
129.07019	0.1
131.04901	0.3
133.02872	0.1
133.06476	0.2
135.04398	0.4
137.02345	7.5
137.03429	0.4
138.02669	0.1
139.03918	0.1
143.04883	0.1
145.02838	0.2
145.06467	0.7
149.02336	0.8
149.25179	0.1
153.01823	9.4
154.02187	0.3
155.04907	0.9
155.06053	0.2
157.06500	0.2
159.04436	0.2
161.05991	0.7
163.03891	1.2
165.01837	3.8
166.02615	0.6
167.03476	0.1
173.05978	1.4
177.01849	0.2
177.05470	0.3
179.03397	0.4
183.02876	1.3
183.04425	1.2
184.05165	0.1
185.05934	0.1
187.03879	0.8
191.03355	0.4
191.07039	0.2
193.05084	0.1
195.02885	0.5
195.04391	0.1
201.05467	4.4
202.05879	0.1
203.03374	0.1
205.04994	0.3
207.02890	0.2
211.03888	0.4
213.05473	0.3
215.03302	0.2
217.05037	0.1
219.02971	0.2
219.06583	0.4
228.04163	0.5
229.04953	9.1
230.05299	0.3
232.03772	0.2
233.04468	0.2
239.03358	0.3
245.04507	0.2
246.05240	0.2
247.05998	1.2
256.03638	0.1
257.04431	4.8
258.04846	0.2
274.04727	1.3
275.05383	0.4
285.03922	2.0
286.04602	0.2
303.04971	100.0
304.05319	4.3
304.08850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
65.03942	0.3
67.01867	0.4
67.05520	0.2
68.99800	2.0
69.03427	0.3
69.42799	0.7
69.43209	0.4
73.01399	0.2
79.05489	0.2
79.64332	0.2
81.03420	0.7
93.03387	0.4
95.04961	0.8
97.02887	0.2
105.03413	0.2
105.07021	0.3
107.04951	0.3
109.02873	0.9
111.00777	2.0
117.07012	0.3
121.02881	1.9
123.04407	0.6
127.03879	0.4
131.04924	0.3
135.04437	0.4
137.02342	7.7
137.03362	0.5
137.05920	0.3
145.06458	0.5
149.02350	0.6
153.01823	10.1
155.04938	0.7
159.04446	0.3
161.06035	0.8
163.03918	1.2
163.26128	0.2
165.01833	3.6
166.02571	0.4
173.05949	1.4
177.01915	0.3
183.02884	1.0
183.04425	0.8
187.03835	1.0
191.03415	0.5
191.07056	0.3
195.02844	0.5
201.05450	4.4
205.04948	0.5
213.05298	0.3
219.02773	0.3
219.06546	0.6
228.04161	0.5
229.04962	9.3
230.05397	0.4
239.03415	0.3
247.06039	1.1
257.04449	5.0
258.04822	0.3
274.04807	1.3
275.05386	0.4
285.03912	2.2
303.04971	100.0
304.05313	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	303.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77034	0.6
56.96568	35.7
58.06588	0.8
69.73626	0.7
81.07050	0.9
86.17648	0.8
93.83601	0.6
98.97589	15.6
99.51230	0.7
102.09186	6.2
103.09525	1.0
107.04955	2.8
116.98618	9.4
117.05755	1.0
123.11742	1.5
129.00336	0.7
132.08136	4.4
134.99710	4.8
153.01811	1.6
163.03958	0.7
173.02393	1.3
174.02287	24.3
175.02693	1.1
186.02257	1.0
188.03889	6.1
191.03493	0.9
192.03329	41.4
193.03743	1.0
201.01801	1.6
202.01744	0.8
204.03331	1.3
206.04897	14.6
207.01945	1.1
210.04405	7.0
215.04936	20.6
216.05264	0.9
216.85648	0.7
217.06487	16.3
220.02887	1.9
222.04393	3.7
224.05995	1.6
229.01205	1.6
231.04405	2.3
233.06000	11.9
235.07559	15.3
243.04372	6.8
244.04955	0.7
247.02063	1.1
247.04146	1.1
249.05554	1.4
257.00748	2.5
258.04425	3.1
261.05493	100.0
262.05823	3.2
275.01871	2.9
276.05609	1.1
279.06537	69.3
280.06866	2.6
284.07034	2.7
285.00351	1.5
286.03940	1.4
286.07330	1.1
302.19693	1.3
303.01425	19.0
303.06522	5.4
303.10449	4.8
303.14108	21.9
303.19781	1.6
304.08215	1.0
304.14664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23844	10.0
69.68246	35.7
72.31167	9.5
98.97621	9.7
99.38277	7.7
100.37152	8.7
100.48318	9.3
123.05505	13.5
141.06589	47.1
146.14700	9.2
153.40154	7.8
163.78432	9.6
189.38831	8.7
303.01544	15.1
303.07864	100.0
303.11151	25.8
321.93491	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28273	1.8
56.96565	4.3
68.45014	2.1
73.02907	2.4
81.03393	2.7
84.75848	1.8
85.02915	5.4
85.18470	1.9
91.31850	1.8
98.97601	8.4
107.04959	4.5
110.47066	2.1
116.98633	3.9
124.07597	19.1
124.34692	1.9
141.05244	26.0
153.01825	4.9
158.29378	2.1
164.07050	2.2
185.04262	7.8
186.74191	1.9
201.01845	5.1
203.05254	31.7
210.91080	2.0
226.38026	2.1
229.01407	2.8
247.02377	3.9
257.00848	3.3
275.01892	3.9
285.00354	4.1
303.01395	37.5
303.07950	23.0
303.11047	100.0
304.01556	4.8
304.11108	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53500	10.9
63.10698	10.7
64.25729	11.8
70.52002	15.2
71.05016	11.0
98.22776	13.8
98.23335	19.2
98.97595	46.5
107.04961	27.7
116.98705	13.5
134.10631	11.9
158.99695	20.1
184.27200	11.4
303.01407	35.7
303.08444	100.0
303.10858	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83381	0.4
67.05505	0.8
69.03426	0.9
69.07062	1.0
69.78603	0.8
69.78965	0.9
71.04979	1.1
79.05509	3.6
81.73963	0.4
83.08627	0.5
85.02908	2.3
95.04947	2.4
97.02882	1.4
97.06554	0.5
97.10168	0.4
98.23317	0.6
105.04509	0.9
107.04954	100.0
107.08590	1.3
108.05269	1.9
111.11737	0.8
113.06013	0.8
116.98600	0.5
121.06458	0.4
124.07611	0.6
125.09627	2.9
127.03920	0.7
129.00220	0.4
136.07579	1.6
137.02327	0.4
140.07111	0.7
142.07594	0.5
143.10721	2.5
153.01799	0.6
164.07024	0.7
182.08087	0.4
195.98094	0.4
220.23901	0.4
248.02632	0.4
258.01257	0.6
259.14633	0.5
269.12927	0.6
287.13953	0.5
304.01688	4.3
304.11014	0.7
304.14502	1.4
304.21399	0.5
305.14841	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05507	1.1
57.03438	0.8
61.02927	0.8
62.66000	0.6
68.05024	0.9
69.03416	2.6
69.07052	1.7
71.04982	0.7
71.43105	0.8
72.08151	1.7
79.05491	7.9
80.05027	1.1
81.03422	1.5
81.05800	4.4
81.07056	3.2
85.02902	3.3
86.06042	1.1
95.04951	2.3
96.08128	16.8
96.36625	0.7
97.02888	1.5
97.06526	1.4
97.10181	1.0
103.30455	0.6
106.06546	3.2
107.04954	68.4
108.05273	1.6
109.02880	0.9
111.11739	0.6
113.05978	0.9
123.04440	1.8
124.07591	100.0
125.05991	2.7
125.07944	2.5
127.03883	1.1
130.06570	1.2
137.02316	1.8
142.08649	1.9
143.47751	0.6
165.05457	1.3
168.47812	0.6
185.09419	0.7
242.09314	0.8
250.28168	0.6
268.11407	0.6
304.01678	3.1
304.05280	1.6
305.14954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33063	0.7
53.03945	1.4
55.01878	1.1
55.05503	1.8
57.03436	3.2
58.06594	1.2
60.04519	6.6
61.02927	3.3
61.03224	0.8
67.79648	0.7
69.03431	12.6
69.07069	33.6
69.07452	1.7
69.57523	2.5
69.57930	1.3
71.01373	1.0
71.04980	1.4
71.08630	19.9
73.02908	2.1
79.05508	1.0
81.03416	6.6
84.04501	2.8
85.02905	58.8
86.02425	5.8
87.04491	0.8
91.03910	1.6
96.04501	1.2
96.08140	2.7
97.02894	36.3
97.06519	5.0
98.03248	1.3
99.04461	2.9
103.03945	5.2
104.85004	0.8
107.04955	3.3
109.02891	8.7
111.11686	1.2
114.09171	17.1
117.91032	0.8
124.07612	2.0
126.05545	0.7
127.03905	13.6
130.06500	1.9
137.02350	1.7
138.09138	3.3
142.08635	100.0
143.08958	2.0
145.04977	5.6
146.06082	0.9
149.02330	1.8
153.01802	1.4
156.10208	2.3
157.07521	0.8
163.34427	0.7
166.39932	0.9
180.10226	1.5
184.09695	61.5
185.10052	1.9
208.09666	13.0
217.20529	0.8
220.09718	1.0
223.07536	1.4
231.06557	1.3
238.10893	1.2
242.09268	2.3
250.10783	7.3
258.01205	1.0
259.05994	3.7
268.09650	1.1
286.12686	2.5
304.01718	2.3
304.13956	3.0
304.23904	3.7
305.15683	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77470	0.8
56.04784	1.6
56.05038	21.8
57.07079	24.1
58.06605	16.1
60.04509	2.9
67.88805	0.9
68.05038	1.7
70.16691	2.0
71.08635	19.2
74.06084	23.1
85.10188	6.6
86.06067	4.2
88.07638	3.1
98.22739	1.1
100.22835	1.0
104.99277	3.4
107.04938	1.2
109.24612	0.9
113.05971	1.8
118.08660	6.6
119.43187	0.8
122.08146	36.1
137.05977	2.0
166.51250	1.0
256.26251	1.9
304.28461	100.0
305.20926	1.6
305.28754	3.8
319.69461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15382	0.2
55.05511	0.5
56.05033	10.2
57.07074	7.1
58.06600	6.2
60.04522	2.4
67.05499	0.3
68.05027	0.8
69.03414	0.2
69.07083	0.6
71.08269	0.4
71.08630	3.8
74.06078	10.4
75.75462	0.2
83.08643	0.3
85.10177	1.9
86.06070	1.5
88.07626	34.9
89.07968	0.3
91.05447	0.3
95.08572	0.4
95.82099	0.2
104.07089	0.8
104.99265	1.0
112.19193	0.3
113.06033	0.8
118.08657	6.7
119.08923	0.3
122.08134	6.5
135.08089	0.4
165.23853	0.3
184.20543	0.2
224.23779	0.4
242.24823	0.4
256.26337	32.5
257.26764	1.4
262.97870	0.3
286.27371	2.3
304.28430	100.0
305.28729	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	305.1596
Annotation	Creoside I
Peak:m/z	Relative Intensity
50.62482	2.3
52.20621	2.3
55.01876	2.9
55.05500	6.3
57.03440	4.0
57.46633	2.0
59.04979	2.6
59.45514	1.8
60.09680	2.1
61.02920	4.4
65.03246	2.1
67.05504	6.6
67.99171	2.2
69.03416	11.5
69.07066	4.1
71.04993	23.7
73.02924	2.2
73.06551	3.9
79.05473	5.2
80.23521	1.9
81.03403	4.6
81.07046	7.2
83.04971	6.6
83.08609	5.9
85.02907	30.2
85.06541	14.7
91.05455	3.1
94.06567	4.1
95.04976	12.8
96.08112	3.8
97.02886	10.4
97.06525	3.2
97.10159	12.7
105.07066	2.5
107.04927	3.7
107.08598	40.8
108.05304	3.6
108.08128	13.4
109.06513	3.6
110.06026	9.7
112.89571	2.0
114.33413	2.7
118.06553	4.9
121.06477	3.9
122.06024	6.0
123.06834	2.3
124.07582	16.2
125.06000	2.6
125.07935	4.7
125.09633	70.9
127.03897	4.7
130.24492	2.3
136.07576	82.3
137.02364	14.5
140.07213	2.6
142.08640	8.4
143.07068	5.5
143.10678	75.1
145.04980	3.8
146.05991	5.7
148.07486	5.3
149.02399	3.0
154.08606	4.5
160.07611	2.4
164.07085	32.5
167.10667	8.4
179.10718	2.8
181.08905	2.8
198.11462	4.0
201.10292	5.5
211.08641	3.9
213.10184	3.4
213.13858	4.8
224.10699	3.0
225.10277	4.4
226.11006	9.0
240.12617	4.8
241.09683	5.4
241.13408	18.9
254.10390	3.9
259.06027	4.6
259.14377	22.7
269.12839	40.6
287.10757	3.6
287.13928	35.1
305.01862	4.5
305.11517	5.9
305.15027	100.0
306.15204	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	305.2111
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
52.83684	1.5
53.03936	3.2
53.43669	1.5
54.94922	1.3
55.01616	1.5
55.01869	15.8
55.05260	2.5
55.05513	35.8
57.03427	3.8
57.07064	3.6
59.05008	2.0
59.67393	1.3
65.03925	2.2
67.05504	33.0
69.03436	8.2
69.07069	9.5
69.75677	3.3
69.76067	3.0
71.05000	3.5
71.08628	1.5
73.06570	2.1
79.05046	2.8
79.05492	56.8
80.05814	1.3
81.03426	3.1
81.07056	81.8
83.04990	8.1
83.08626	17.4
85.06509	3.2
88.80657	1.4
91.05480	41.3
93.07042	30.8
95.04964	19.5
95.08611	24.0
95.12136	1.2
97.06532	3.2
97.10162	23.7
98.23380	2.9
99.08092	1.7
103.05459	2.4
105.03389	3.7
105.04495	3.4
105.07022	26.4
105.53269	1.2
107.04940	15.9
107.08588	22.5
109.06520	11.1
109.10155	9.2
111.08076	4.4
114.07762	1.3
115.05452	3.2
116.06219	2.5
117.07025	34.2
119.04935	2.8
119.08574	68.0
120.08945	2.7
121.06499	27.9
121.10143	10.2
123.04441	2.8
123.08069	7.7
125.09641	28.3
128.06195	3.6
129.06984	13.9
130.07779	3.2
131.08563	21.4
132.05737	2.4
133.06465	6.4
133.10117	9.7
135.08061	20.6
135.11642	2.2
137.05983	20.2
137.09651	3.6
141.06976	1.3
143.08566	10.6
145.06485	3.0
145.10126	33.4
147.08044	35.8
147.11682	3.4
149.09612	8.6
151.07578	1.9
153.09097	5.0
155.08588	2.3
155.10655	1.7
157.10132	11.3
157.12273	2.6
159.08087	6.4
159.11732	8.4
161.09615	14.6
161.13319	2.1
163.11217	12.3
165.12775	4.4
167.08501	2.0
169.10231	3.3
171.11674	7.4
173.09630	3.7
175.11211	4.9
181.10191	1.9
185.09602	1.7
185.13252	4.3
187.11147	2.9
199.11177	2.6
199.14862	1.6
203.12709	21.3
203.14326	2.7
205.12244	2.1
209.13264	2.8
211.14838	2.6
213.12729	2.1
227.17960	4.0
237.14667	4.0
237.16704	2.8
245.19048	4.1
255.17444	9.6
263.16470	6.7
273.18481	73.5
274.18753	3.6
287.20105	5.2
289.21573	2.0
304.31232	2.1
305.21106	100.0
305.28802	2.0
305.31552	13.6
306.21320	9.1
306.24246	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.1
55.01864	0.1
55.05500	0.2
57.03428	0.1
57.07073	0.2
58.02957	0.4
65.03944	0.1
65.19920	0.1
66.04719	0.2
67.05515	0.3
69.03409	0.1
69.07069	1.3
71.04965	0.1
71.08620	0.1
77.03925	0.2
79.05495	0.9
81.07054	0.9
83.04959	0.1
83.08624	0.1
84.08145	0.2
84.49767	0.1
86.06049	0.1
88.66423	0.1
91.05479	0.7
93.07040	0.7
94.04183	2.3
95.04986	0.1
95.08609	0.3
97.06527	0.3
98.23446	0.1
100.07618	0.2
105.07027	0.3
107.04934	0.3
107.08602	0.7
109.06535	0.2
109.10165	0.8
111.08160	0.1
114.09174	0.4
115.06255	0.1
121.29723	0.1
122.03645	7.8
123.04027	0.1
123.11690	0.1
126.09132	0.4
133.10120	0.7
135.04381	0.1
135.11687	0.9
137.05975	100.0
138.06306	2.8
142.73183	0.1
147.11668	0.2
151.11195	0.5
153.12717	1.0
170.15404	2.1
182.15408	3.2
183.15729	0.2
222.52180	0.1
306.20639	1.1
307.21368	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	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38436	2.4
55.82850	2.9
56.96558	10.1
69.03439	3.0
69.78037	10.6
85.02876	4.6
97.02881	3.3
98.23430	3.2
98.97590	22.3
99.77361	2.3
101.00872	6.2
109.02837	3.8
110.97534	5.8
116.98621	10.8
119.01904	11.4
127.03938	10.6
128.04253	5.0
128.98573	2.6
134.99686	2.5
141.26857	3.0
143.01891	3.0
157.30841	2.5
161.02950	3.2
167.16774	2.7
168.99825	2.4
170.99692	3.1
187.00996	3.2
215.00282	5.7
219.01707	5.8
219.03604	3.3
237.02824	6.5
247.02956	5.5
307.07910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1291
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01871	1.4
60.60797	0.2
67.05512	0.5
79.05490	1.0
81.03429	0.4
81.07046	0.9
83.04977	0.6
91.05486	0.6
93.07015	0.7
94.06550	0.6
95.05006	0.4
95.08609	0.5
98.06054	0.6
105.07014	0.9
107.08585	0.9
108.04494	0.6
109.06493	0.6
109.10152	0.2
117.01273	0.3
118.20929	0.3
119.08595	0.5
120.04478	0.6
120.08099	0.5
121.10141	0.3
122.06050	1.6
123.04443	0.5
123.08112	0.6
124.07587	0.6
129.07022	0.5
130.06500	0.3
131.08572	0.6
132.08090	0.3
135.08092	1.7
136.07579	1.0
138.05460	0.5
138.09161	1.0
140.07059	1.7
143.08516	0.4
144.08069	0.4
146.06000	0.5
146.09660	0.4
147.08060	0.3
148.07576	0.5
150.05467	0.4
151.07585	0.4
155.08533	0.3
156.08080	0.3
158.06041	0.4
159.09233	0.6
160.07622	1.7
162.09138	0.5
163.08702	0.8
164.07043	0.3
168.06567	1.8
170.05939	0.3
170.09673	0.6
173.07126	0.4
173.10767	0.5
174.09103	1.5
176.07086	0.3
176.10733	0.5
177.06557	0.4
177.10262	1.2
178.08643	11.7
178.10204	0.6
179.09193	0.3
182.08197	0.5
184.07596	1.4
186.09193	0.4
187.08681	0.9
188.07108	2.7
191.08130	0.6
192.10332	0.3
196.09740	0.4
198.09167	1.3
201.06686	0.6
201.10326	1.6
202.08652	4.9
204.10283	0.6
205.09726	3.0
206.08144	1.9
212.07077	1.1
215.08197	0.5
216.10338	2.3
217.09856	0.5
219.07744	0.8
219.11308	3.8
220.09705	1.9
225.10185	0.5
226.08652	1.6
228.10265	0.4
229.09743	3.2
230.08113	3.3
230.10178	0.5
235.84581	0.3
243.11264	1.7
244.09738	3.5
247.10809	9.8
248.09186	0.8
253.09798	0.3
254.08046	0.5
261.12378	1.5
262.10733	1.5
265.11856	12.0
271.10767	1.6
271.16885	0.3
272.09186	1.4
289.11859	14.0
290.09894	0.4
290.12622	0.4
307.12900	100.0
308.13205	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	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
57.23594	0.3
58.38515	0.3
67.05506	0.8
67.08591	0.3
69.97348	0.3
77.03935	0.7
79.05499	1.0
81.07052	1.1
85.73618	0.3
91.05489	1.1
93.07066	1.4
94.06542	0.3
95.04971	0.5
95.07337	0.4
95.08613	0.5
96.08119	0.8
98.98535	0.3
105.06998	0.3
108.04494	0.3
108.08139	0.8
109.06523	0.5
110.09687	0.4
112.15540	0.2
122.06013	1.9
123.06813	1.1
123.08053	0.5
124.07597	8.3
126.05556	0.4
126.09162	4.5
128.82286	0.3
136.07578	55.4
137.07910	1.1
138.09140	50.2
139.09482	1.1
140.07043	1.4
150.05511	0.5
152.07071	15.8
164.07063	100.0
165.07420	2.5
170.08139	4.1
182.08138	22.2
183.08533	0.5
191.08313	0.4
196.56805	0.3
208.27576	0.3
209.22726	0.3
261.03143	0.3
289.15463	4.7
289.18350	0.3
296.27280	0.3
297.48297	0.3
307.12909	0.6
307.16449	2.3
310.42578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2061
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.05523	6.1
57.03434	11.4
59.04998	6.5
65.86385	4.0
67.05508	15.1
69.07072	12.1
69.42089	14.9
72.97514	3.6
74.64290	3.8
79.05513	22.6
79.05892	3.6
81.07074	27.6
83.04997	5.0
91.05488	30.0
93.07066	22.6
95.04975	42.9
95.08637	13.2
97.06563	15.6
98.23324	10.6
98.98474	10.4
105.07047	43.3
107.08617	11.6
109.06551	5.2
115.05463	5.2
117.07038	15.2
119.08599	43.6
121.06558	5.6
121.10153	5.6
128.06253	14.3
129.07054	20.7
130.07776	7.0
131.08597	19.5
133.10146	78.0
141.06999	12.2
142.07819	18.0
143.08582	45.5
144.09346	9.6
145.06497	5.0
145.10143	30.2
146.38904	3.9
146.89612	4.1
147.08066	8.3
147.11710	10.0
148.14081	4.2
149.09615	4.5
153.06990	6.3
154.07816	9.6
155.01015	5.7
155.08604	10.5
156.09389	14.9
157.10114	31.5
158.10898	9.2
158.27306	3.7
159.08032	5.9
159.11661	23.0
161.09642	11.3
165.07066	6.8
167.08585	18.5
168.09349	7.2
169.10210	27.6
170.10915	5.9
171.11664	20.4
173.13293	18.6
179.08612	14.1
180.09328	6.2
181.10124	20.3
182.10892	23.1
183.11757	14.3
184.12405	4.7
185.13327	8.1
187.11122	7.5
192.09312	4.1
193.10159	17.1
194.11034	7.7
195.11684	20.9
196.12500	6.9
197.13321	35.0
199.14861	10.4
203.08617	7.9
205.10011	5.5
206.10902	8.1
207.11763	19.0
208.12555	12.4
209.13272	18.8
211.14864	12.5
217.10255	5.7
219.11705	7.4
220.12488	6.5
221.13321	25.8
222.14041	7.1
223.14815	8.1
224.67455	4.4
229.10092	5.1
231.11870	5.0
232.12460	8.9
233.13232	14.9
234.13977	7.2
235.14876	7.0
237.16348	6.3
244.12564	9.9
245.13257	6.5
247.14839	11.9
248.15665	10.0
249.16460	6.4
251.14323	8.1
251.17955	8.4
258.56607	5.2
259.15033	11.2
261.03061	20.4
263.17984	23.6
265.19510	4.2
274.17267	7.2
279.21078	9.3
289.19540	19.1
292.18109	5.5
307.15598	5.2
307.20670	100.0
308.20816	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74419	2.0
53.03950	20.4
55.01872	35.9
55.05512	24.7
57.03431	2.3
57.07049	1.9
59.04993	2.2
65.03953	2.8
67.05503	64.4
68.22726	1.7
69.07069	53.8
71.04995	3.4
79.05493	48.8
81.03416	41.9
81.07056	100.0
83.04990	13.1
83.08627	9.2
85.06538	5.8
91.05481	56.9
93.07048	52.5
95.01352	5.5
95.04971	20.5
95.08607	50.3
97.06529	70.9
97.10172	6.8
98.23530	3.9
98.98402	2.0
99.08101	2.6
100.39274	2.2
102.99978	2.0
103.05466	2.6
105.04559	2.2
105.07030	73.7
106.07364	3.3
107.04958	33.6
107.08598	27.8
109.06510	9.2
109.10154	10.1
111.08098	6.4
115.05457	2.1
117.07026	17.3
119.08572	40.1
121.06519	7.0
121.10137	12.9
123.04449	3.9
123.08064	12.1
123.11709	4.8
125.09618	7.1
129.06996	3.0
131.08574	26.4
133.06535	2.9
133.10133	48.0
135.08075	5.3
135.11708	20.5
135.28635	2.0
137.09598	7.0
139.07510	4.3
141.07011	4.3
143.08568	4.8
145.06491	6.0
145.10135	22.6
146.10698	2.1
147.11691	17.7
149.09633	12.8
149.13255	15.4
151.11203	8.2
157.10129	4.9
159.11707	27.3
161.13310	6.7
163.11197	5.4
165.09108	2.5
169.10132	4.8
171.11681	3.4
173.13283	6.9
177.12733	20.3
179.14305	19.0
183.11671	3.5
185.13359	2.0
187.11177	13.1
187.78137	1.9
197.13242	2.7
203.12819	2.4
205.12222	5.0
219.17468	3.4
229.19540	4.1
239.17993	4.3
240.77596	2.2
247.20534	3.8
257.18991	7.4
261.03125	3.2
275.20062	96.7
276.20352	4.9
307.22839	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01882	8.1
55.05516	46.6
57.03446	2.4
57.07081	1.2
59.05003	3.1
61.34705	1.3
65.03953	1.7
66.21336	1.0
67.05156	2.3
67.05511	34.8
67.05872	2.3
69.03433	3.3
69.07076	14.8
71.05009	4.6
79.05499	67.5
80.05834	1.6
81.03416	3.5
81.07060	28.8
83.04987	12.1
83.08621	14.4
85.06563	1.9
91.05489	35.5
93.07050	54.5
95.04982	8.7
95.08623	14.3
97.06564	8.1
97.10172	19.7
103.05522	1.4
105.04520	1.2
105.07037	35.3
107.04967	19.9
107.08601	54.4
109.06538	5.1
109.10168	13.0
111.08095	3.8
117.07018	8.4
119.08589	23.9
121.06515	2.5
121.10158	16.6
123.08122	2.4
123.11735	3.0
125.09634	21.3
129.07022	1.4
131.08569	10.5
133.10127	21.6
135.08087	8.3
135.11684	5.6
137.09779	1.3
143.08620	2.9
145.10136	12.3
147.11693	13.8
148.12085	1.2
149.09639	18.2
149.13361	2.0
153.09117	5.1
155.08604	1.4
157.10193	2.4
157.12241	1.5
159.11687	8.2
161.09615	1.5
161.13281	5.3
163.11269	2.5
169.10214	1.9
169.12268	2.2
171.10228	1.3
171.11758	2.1
173.11775	3.0
173.13306	5.9
175.11151	1.5
177.12784	1.6
179.14305	1.8
183.11751	3.0
187.11169	2.6
197.13249	2.3
203.12807	18.8
205.12276	3.0
215.17964	1.2
224.31110	1.1
229.19505	2.7
239.17973	3.9
247.20549	2.1
257.19040	8.8
261.03192	1.6
275.20087	100.0
276.20462	4.9
289.21722	2.6
307.22913	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93595	2.3
53.03935	4.5
55.01862	7.2
55.05256	4.5
55.05511	68.8
55.45591	2.3
57.03428	3.7
67.05502	41.4
69.03430	5.0
69.07066	10.5
71.04978	6.4
79.05494	62.8
81.07057	28.4
83.05000	5.5
83.08612	19.1
85.06553	3.0
91.05477	27.6
93.07044	31.2
95.04966	10.8
95.08614	17.0
97.06531	4.1
97.10169	29.2
98.98472	3.1
105.04526	2.8
105.07024	36.9
107.04247	5.4
107.04951	83.5
107.08601	44.9
109.06474	4.1
109.10171	19.4
111.08064	3.6
117.07009	10.4
119.08568	27.7
121.10145	18.8
123.11662	4.0
125.09641	44.0
131.08549	9.6
133.10136	23.6
135.08064	15.4
135.11697	4.6
137.09677	3.2
145.10120	8.9
147.11700	17.6
149.09615	46.2
149.13315	3.3
153.09125	15.4
157.12210	3.9
159.11705	6.5
161.13248	8.2
163.11148	3.5
165.12720	3.9
173.13234	5.4
183.11714	2.5
187.11205	3.1
187.14816	3.3
203.12770	44.6
228.21956	2.7
229.19531	6.9
239.17850	3.0
256.31299	3.2
257.18878	12.4
275.20065	100.0
276.20419	6.0
307.22772	23.1
324.30701	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01871	9.1
55.05511	61.7
57.03440	6.0
57.07074	5.8
59.04992	3.4
62.32610	2.9
63.29360	2.5
67.05499	54.8
67.77728	2.6
69.07060	13.7
69.67625	4.7
69.68018	6.1
71.04990	3.5
79.05492	69.7
81.03436	3.3
81.07058	36.7
83.04980	5.5
83.08627	15.8
85.06542	3.6
91.05481	31.6
93.07043	29.6
95.04966	12.4
95.08604	23.5
97.06516	4.3
97.10164	24.7
105.07030	31.6
105.07665	3.9
107.04948	74.9
107.08591	48.1
109.06586	3.3
109.10132	17.6
111.08049	4.2
117.07029	13.8
119.08578	23.1
120.58057	2.9
121.06537	5.9
121.10172	15.2
123.11686	5.6
125.09624	34.3
131.08553	13.4
133.10120	23.9
135.08070	12.0
137.09612	6.2
143.08545	2.9
145.10146	11.3
147.11639	19.6
149.09595	48.7
153.09106	11.8
157.12248	4.5
159.11717	12.1
161.13232	4.7
163.06010	2.8
163.11153	4.4
169.12280	3.6
171.11667	3.2
173.13353	7.8
182.13516	3.4
191.24860	3.2
197.13376	2.8
203.12738	43.2
203.14394	3.7
229.19603	5.2
239.18178	4.4
257.19037	15.6
275.20041	100.0
275.22916	5.7
276.20456	5.2
277.25769	2.6
307.22656	26.4
307.26965	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	307.2633
Annotation	Crinitol
Peak:m/z	Relative Intensity
55.05505	15.4
57.07069	4.4
60.49978	1.2
67.05509	26.9
69.07066	19.0
70.59290	2.6
79.05493	10.7
81.07055	100.0
81.35913	1.4
82.07367	1.9
83.08621	9.2
83.37148	1.5
85.06546	3.1
91.05482	3.4
93.07047	12.4
95.08604	83.8
96.08908	2.3
97.06543	2.1
97.10184	10.6
97.10709	2.0
98.98442	2.2
99.08112	1.8
105.07037	4.6
107.08598	14.5
109.10157	42.6
111.08063	3.9
111.11729	5.9
119.08582	3.3
121.10162	8.1
123.11711	20.0
123.12543	2.4
133.10129	1.6
135.11694	6.8
137.05890	1.7
137.13248	11.0
139.11174	2.6
147.11720	3.5
149.13295	6.7
151.11200	3.1
151.14822	15.3
155.01018	2.6
159.11693	2.8
161.13260	3.2
163.14845	3.2
165.12759	2.3
165.16426	1.9
173.13237	1.8
177.16451	2.7
179.14236	2.2
191.17934	2.0
193.15817	2.4
201.16469	1.6
223.17043	2.1
237.18472	3.3
261.03137	8.5
271.24344	3.1
284.04816	1.7
289.25192	6.9
307.15237	1.9
307.26288	28.8
308.03964	3.8
308.18509	1.7
308.26495	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	308.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	45.4
69.58026	3.6
70.09007	0.8
81.07047	1.3
83.04983	100.0
91.05436	1.0
93.07033	1.7
95.04998	1.8
95.08625	2.2
105.07028	1.8
105.87671	0.9
119.08574	1.4
121.06509	4.2
121.10165	1.4
149.09608	7.2
182.93233	1.1
226.16808	1.0
231.13791	24.8
232.14099	1.5
262.03122	1.4
308.22241	1.4
333.24628	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	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.47485	0.2
53.97506	0.2
55.01880	0.2
55.05499	0.6
57.07057	0.6
58.02964	0.4
59.61806	0.2
64.42532	0.2
66.04722	0.3
67.05503	0.7
69.07064	0.8
71.08636	1.2
75.29232	0.2
79.05485	0.9
81.07057	2.4
83.08640	0.2
85.10185	0.3
88.38083	0.2
91.05468	0.8
92.97914	0.2
93.07023	0.7
94.04187	2.0
95.04950	0.3
95.08618	1.0
97.06587	0.2
97.10172	0.2
98.98450	0.3
99.08094	0.4
107.04939	0.3
107.08588	0.5
109.06522	1.2
109.10144	0.3
110.06898	0.3
119.08596	0.3
122.03648	6.8
137.05977	100.0
137.13240	0.5
138.06308	2.3
153.12781	0.3
155.14352	0.4
161.13242	0.3
165.12756	1.0
166.13042	0.3
172.16968	1.1
175.14844	0.2
184.16972	2.7
262.03125	0.4
266.84851	0.2
291.23163	3.8
308.18936	0.4
308.22745	1.1
308.25891	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	309.0946
Annotation	Clobenpropit
Peak:m/z	Relative Intensity
57.03427	0.5
69.42175	1.8
71.04999	2.4
75.04467	0.6
84.08147	0.5
85.02908	5.7
85.06424	0.4
98.23382	0.9
98.98493	0.5
119.04915	0.7
129.05466	2.0
131.07021	0.6
147.04379	4.4
147.06525	0.7
153.01845	0.6
163.03799	0.4
185.04219	1.9
187.50883	0.4
213.05495	0.7
231.06554	0.8
242.68631	0.5
245.12866	0.5
256.08893	0.7
263.13794	0.6
273.07532	0.5
291.13266	0.8
309.09430	100.0
310.09738	2.9
323.79907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34042	0.7
55.05506	1.3
57.03440	4.3
59.04994	0.8
61.02917	1.1
68.90231	0.7
69.03432	1.8
69.93300	0.8
69.93641	2.2
71.01340	0.9
71.04644	0.8
71.05003	14.1
73.02914	2.2
75.04477	4.9
79.05542	1.0
79.81043	0.8
83.04987	2.4
84.04462	0.7
84.08134	2.0
85.02916	40.5
87.04477	1.3
92.52245	0.8
94.46233	0.7
95.04955	0.9
97.02885	1.4
98.23116	2.1
98.97549	1.2
98.98496	1.5
99.10380	0.8
101.06032	1.0
110.73779	0.8
111.04442	2.5
113.05980	1.6
116.98690	0.9
119.04926	1.6
127.03932	1.1
129.05486	9.9
131.07036	2.7
135.04437	1.2
145.04964	1.7
147.04424	8.1
147.06505	4.2
149.05972	1.0
153.01875	1.1
155.00987	1.0
161.05984	0.8
163.03888	2.0
175.86368	0.7
177.05530	1.6
185.04236	2.3
185.05885	1.3
187.03923	1.9
189.05418	1.3
193.88890	0.8
213.05440	3.1
217.04971	1.0
224.06987	0.7
231.06587	1.4
235.05910	0.8
243.16956	1.1
251.07173	1.1
259.05972	1.0
273.07556	2.2
279.06351	1.0
291.08990	0.7
291.13055	1.2
294.08884	1.8
309.09409	100.0
310.09552	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01873	0.4
57.03430	0.9
61.02930	0.5
64.64146	0.1
65.03930	0.7
67.05505	0.3
69.03427	3.6
69.07065	0.2
71.04984	1.0
73.02917	0.5
75.04490	0.2
79.05502	0.3
81.03416	8.7
81.07069	0.4
82.03752	0.2
82.34257	0.1
83.04979	0.2
85.02905	6.0
91.05478	8.0
93.07054	0.3
95.04970	0.3
97.02893	1.1
98.98439	0.2
99.04462	1.1
101.02410	0.1
105.07058	0.2
109.02877	3.3
109.10188	0.2
111.11744	0.1
112.29196	0.1
119.04942	23.4
120.05274	0.5
125.09634	0.1
127.03894	1.0
129.05489	0.5
137.09541	0.2
147.04402	100.0
148.04745	2.5
160.92184	0.2
165.05473	3.3
173.70967	0.1
249.07716	0.2
252.61008	0.1
254.52003	0.1
263.03159	0.2
291.08621	8.9
292.08975	0.5
309.09665	2.6
309.12924	0.2
309.20987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
54.77508	0.2
55.01862	0.4
57.03428	0.8
61.02928	0.3
62.00772	0.2
65.03943	0.8
67.05492	0.3
68.46885	0.2
69.03428	4.6
71.04995	1.1
73.02901	0.6
79.05480	0.2
81.03415	16.9
81.07045	0.7
83.66058	0.2
85.02904	5.5
85.03413	0.4
91.05481	9.7
93.07043	0.3
95.04959	0.3
97.02879	1.3
98.23534	0.4
99.04452	1.3
105.07043	0.3
107.08575	0.2
109.02872	6.2
109.06525	0.3
119.04939	24.7
120.05275	0.5
127.03919	1.7
129.05466	0.3
145.04930	0.3
147.04402	100.0
148.04741	2.6
165.05478	4.3
189.34819	0.2
200.52208	0.2
217.05725	0.2
249.07541	0.7
291.08618	18.1
292.08926	0.8
309.09631	1.6
309.13202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01893	0.2
57.03445	0.8
61.02935	0.2
65.03946	0.7
67.05505	0.3
69.03435	4.2
69.34258	0.7
71.05006	0.8
73.02937	0.3
81.03425	10.3
81.07059	0.3
85.02911	4.8
91.05486	9.5
93.07060	0.3
97.02892	1.1
98.22779	0.3
98.23419	0.5
99.04460	1.1
109.02885	4.5
119.04953	25.2
120.05257	0.4
127.03941	1.5
131.08536	0.2
147.04417	100.0
148.04768	2.7
165.05502	4.3
174.45171	0.2
249.07520	0.3
273.18433	0.2
291.08643	11.7
292.08917	0.4
309.09726	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
53.04175	0.2
55.01888	0.3
57.03434	0.6
61.02938	0.2
65.03942	0.8
69.03432	4.4
69.30482	0.6
69.30889	0.4
70.62215	0.2
71.04990	0.4
73.02910	0.2
79.05483	0.3
81.03419	8.9
81.07071	0.2
85.02900	4.0
91.05479	9.8
92.05815	0.3
95.04962	0.3
95.08598	0.3
97.02902	1.1
97.10234	0.2
98.05901	0.2
99.04449	0.7
109.02879	3.4
109.10194	0.2
112.41591	0.2
119.04944	25.7
119.31133	0.2
120.05280	0.3
123.08111	0.2
125.07362	0.2
127.03928	1.3
127.25314	0.2
147.04407	100.0
148.04767	2.2
165.05476	3.7
178.86005	0.2
249.07532	0.3
257.07306	0.2
291.08627	9.3
292.09009	0.5
309.09573	1.1
325.78046	0.2
328.01743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01873	0.6
55.05509	2.6
57.03439	12.1
57.57819	0.2
59.04998	1.3
61.02930	2.5
64.73885	0.2
67.05504	0.5
69.03429	2.8
69.07037	0.4
69.44073	0.8
71.01366	1.6
71.04994	27.1
72.05341	0.5
73.02919	5.0
74.07278	0.2
75.04482	14.2
79.05499	0.7
81.03426	1.3
81.07079	0.6
83.04982	5.6
85.02906	100.0
86.03231	1.0
87.04469	2.8
91.03947	0.2
91.05499	0.4
95.04957	0.5
95.08566	0.2
97.02894	3.8
97.06477	0.2
97.82581	0.2
99.04458	1.7
101.06017	1.3
103.03937	1.2
105.07041	0.2
107.04959	0.3
107.08596	0.4
109.02877	1.3
109.06541	0.4
111.04446	2.9
119.04939	0.4
119.08556	0.3
123.04430	0.3
123.08021	0.2
125.09669	0.3
127.03917	3.6
129.05481	26.8
130.05792	0.6
145.04988	1.5
147.04417	1.0
147.06522	18.3
148.06902	0.3
159.06526	0.3
163.06021	0.5
165.07622	0.5
168.30460	0.2
169.04994	0.3
171.06497	0.5
180.06342	0.2
181.04965	0.2
225.07562	0.5
237.07596	0.3
255.08604	0.7
291.19626	0.5
309.11798	0.9
309.20566	0.3
327.07446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83867	0.2
53.03951	0.8
55.01866	0.7
55.05521	2.8
55.85903	0.2
57.03443	10.2
59.05003	1.3
60.86740	0.2
61.02925	1.6
66.81062	0.2
67.05509	0.9
69.03436	2.5
69.07069	0.3
71.01361	1.7
71.05000	29.1
72.05334	0.4
72.46922	0.2
73.02926	5.1
73.06558	0.3
75.04487	12.0
79.05493	0.7
81.03421	1.4
81.07063	0.8
83.04990	6.0
83.05492	0.3
85.02914	100.0
86.03230	1.0
87.04478	2.4
91.03945	0.2
91.05489	0.6
93.21514	0.3
95.04981	0.6
95.08630	0.4
97.02900	4.6
97.06515	0.4
98.23213	1.9
99.04451	1.7
101.06023	1.6
103.03950	1.2
105.07029	0.4
107.04995	0.3
107.08596	0.3
109.02887	0.9
109.06516	0.5
109.10203	0.3
111.04455	3.0
113.06020	0.5
119.04924	0.3
123.04453	0.4
126.09158	0.3
127.03930	3.7
129.05490	23.7
130.05815	0.5
145.04971	1.6
145.10193	0.3
147.04483	1.0
147.06535	13.3
148.06892	0.4
151.03975	0.3
151.07579	0.3
152.07059	0.3
163.95570	0.2
165.07600	0.3
171.06638	0.7
176.55049	0.2
199.06107	0.4
207.06525	0.3
225.07654	0.3
229.19151	0.3
255.08638	0.7
309.12265	0.4
309.20761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01856	0.6
55.05511	3.1
57.03434	10.2
59.04996	1.4
61.02930	2.2
67.05500	1.1
67.13716	0.3
69.03429	3.5
69.07072	2.0
69.28493	1.5
70.51219	0.3
71.01364	1.7
71.04990	24.2
72.05304	0.4
73.02912	5.8
73.03291	0.5
73.06559	0.4
75.04478	12.4
75.64320	0.3
76.92252	0.3
79.05491	1.2
81.03410	2.0
81.07064	2.1
81.59972	0.3
83.04978	6.1
83.08604	0.4
85.02901	100.0
86.03239	1.2
86.06076	0.3
87.04466	2.7
87.08101	2.5
91.05478	1.1
93.07035	0.9
95.04947	0.6
95.08601	0.8
97.02892	3.9
97.06493	0.3
98.98465	0.3
99.04436	1.7
101.06000	1.4
103.03964	0.9
105.07005	0.7
107.08593	0.5
109.02875	1.6
109.06525	1.0
109.10144	0.4
111.04449	3.1
111.08083	0.3
113.05943	0.3
117.07021	0.3
119.04945	1.8
119.08600	0.6
119.10734	0.4
121.10147	0.3
123.08038	0.4
124.07628	0.3
127.03915	3.5
129.05473	24.0
130.05803	0.5
131.08546	0.4
133.10112	0.4
137.09621	0.3
139.03918	0.3
145.04955	1.6
147.04456	6.7
147.06509	14.8
147.10167	0.4
148.06784	0.4
151.07539	0.3
155.00981	0.3
159.06548	0.4
161.41751	0.3
163.11151	0.4
165.05507	0.5
165.07581	0.6
169.04929	0.3
171.06479	0.5
181.04990	0.5
191.10655	0.3
225.07658	0.6
229.07198	0.3
240.55099	0.3
255.08679	0.9
273.09583	0.4
291.08533	0.3
291.19632	0.8
309.12598	1.0
309.20593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1333
Annotation	Monocerin
Peak:m/z	Relative Intensity
51.50094	0.5
52.13944	0.5
52.87721	0.5
53.03943	6.4
54.29726	0.5
55.01859	1.8
55.05508	7.8
55.06249	0.5
57.03434	4.7
57.07088	0.6
59.04987	2.2
65.03946	1.3
67.01855	0.9
67.05504	40.3
68.05819	0.7
68.68323	0.5
69.03426	5.7
69.07068	4.1
69.29684	3.5
71.04988	3.0
79.05486	9.4
81.03414	38.5
81.07054	37.4
81.29745	0.6
82.04189	1.3
82.07357	0.8
83.04981	5.8
83.08592	1.1
84.91151	0.6
85.02898	1.9
85.06524	1.1
91.05483	4.7
93.07047	5.8
95.04974	5.9
95.08607	11.0
97.02904	4.1
97.06522	1.4
97.10157	1.4
99.04468	3.7
99.08080	5.0
103.80647	0.5
105.07044	3.1
107.04943	2.1
107.08591	11.4
109.02878	49.4
109.06522	5.5
109.10155	62.4
110.03070	0.7
110.03684	8.1
110.10464	1.1
111.04441	9.9
111.08090	0.8
113.06023	1.0
115.05467	1.2
117.07019	2.7
119.06134	0.6
119.08573	4.2
119.36973	0.6
121.06498	1.6
121.10168	2.7
123.04383	0.7
123.08070	0.9
123.11705	0.7
124.05189	1.9
125.02357	6.7
125.05979	1.5
125.09654	1.3
126.03116	1.9
127.03918	14.2
127.07530	1.0
129.05463	0.7
129.06998	0.9
131.08554	1.4
133.10089	1.4
135.08055	16.9
135.11710	0.8
136.05226	0.6
137.06046	3.8
137.09610	81.4
138.09952	2.2
143.08557	0.8
143.10672	0.7
145.10170	0.9
147.04414	1.3
147.08058	1.7
149.09619	1.7
149.13264	0.5
151.11192	0.8
153.09065	1.3
155.10657	2.8
159.08022	0.8
161.09630	1.0
163.07555	6.6
165.09111	61.0
166.09502	1.6
171.08008	0.8
173.09644	0.9
175.07541	1.3
175.11234	1.1
177.09186	0.8
181.08549	1.4
183.10164	1.2
189.09056	1.5
189.12753	1.1
194.99034	0.6
199.11125	0.9
201.11253	0.9
203.10559	1.2
205.12169	0.6
215.10832	0.6
217.12305	1.7
233.11769	0.8
245.11795	2.9
263.12723	3.7
273.11301	1.6
273.18292	1.0
287.25369	0.6
291.12241	3.7
291.19525	1.7
308.26907	1.0
309.13306	100.0
310.13666	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	309.1549
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.03946	2.0
55.01872	2.2
55.05517	8.3
57.03438	6.0
59.04996	1.5
59.53350	0.4
61.02933	7.6
67.05510	1.2
69.03432	13.5
69.07074	4.2
69.33888	2.5
71.01366	0.8
71.05005	6.6
73.02915	3.8
75.04485	2.6
79.05499	1.2
81.03423	6.5
81.07065	2.2
82.70099	0.4
83.01358	0.4
83.04983	1.8
83.08627	20.3
85.02911	100.0
86.03239	1.0
87.04493	2.6
91.03968	4.2
91.05499	1.6
93.07070	1.8
95.04954	1.1
95.08623	1.4
97.02898	18.1
97.06541	0.7
98.23213	1.5
98.98439	0.7
99.04442	3.5
101.02393	0.9
101.09668	14.0
101.10319	1.0
103.03935	0.7
107.08616	1.1
109.02889	6.8
109.06535	1.0
109.10139	0.7
111.04454	1.2
111.11738	0.9
113.05980	0.5
115.03941	1.0
119.04982	0.5
119.08577	0.7
119.10651	0.9
120.08143	0.8
121.06554	0.6
121.10181	0.6
123.08105	1.2
124.07618	1.9
124.36160	0.5
125.09660	0.7
126.05566	0.5
127.03923	17.7
129.05498	5.2
129.09091	0.7
129.12779	1.1
131.08652	0.5
133.10188	1.0
135.08040	0.5
137.05995	0.6
137.09628	0.6
145.03835	1.1
145.04968	19.0
147.04416	4.1
147.06522	2.9
147.08092	0.4
147.10149	1.0
149.09798	0.5
153.01843	0.8
160.66969	0.4
163.06056	2.3
163.11186	0.7
165.09123	0.6
166.08730	0.6
166.58591	0.5
168.01978	0.5
178.08575	0.5
180.10246	0.4
210.80940	0.4
227.13878	0.5
231.11324	0.5
273.18497	0.8
291.08585	0.7
291.13373	0.9
291.19696	1.2
309.13306	1.9
309.20584	1.3
310.13083	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	309.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
64.63586	0.3
67.05504	0.6
68.11462	0.3
69.79103	0.3
74.01935	0.4
79.05482	0.9
81.07054	0.8
83.77683	0.3
91.05463	0.5
93.07037	0.9
95.08595	1.0
102.43223	0.3
105.07053	0.4
107.08553	0.4
117.09500	0.3
119.08566	0.4
121.10123	0.4
123.08059	0.5
126.08353	0.3
133.10071	0.4
151.11134	0.4
193.33525	0.4
291.19562	0.6
309.16721	100.0
310.17126	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	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78314	0.6
55.05511	3.1
61.24731	0.7
65.00205	0.6
67.05499	1.8
69.07058	1.6
79.05489	4.1
81.07046	2.6
83.08636	1.0
91.05462	1.9
93.07047	5.5
95.04966	1.1
95.08605	1.4
97.10173	2.3
98.98463	1.1
105.06995	0.9
107.08599	1.4
109.10139	0.9
118.31978	0.7
121.10146	1.6
122.20950	0.6
123.08072	0.7
125.09628	2.1
129.88927	0.6
135.08023	0.8
140.21585	0.6
145.06538	0.7
147.11679	0.8
148.74802	0.6
155.01010	1.0
155.10713	0.7
189.11185	1.4
235.13313	0.9
263.02994	0.7
309.16711	100.0
310.17004	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	309.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01867	1.8
55.05513	11.8
57.03436	11.0
57.07082	1.8
61.02914	2.4
67.05519	1.6
69.03429	3.0
69.07067	100.0
70.07410	1.6
70.70164	1.9
71.01330	1.2
71.04991	22.9
73.02917	3.4
75.04472	8.1
76.86448	1.0
77.62274	1.1
81.03393	2.7
81.07052	2.2
83.04987	4.8
83.08607	1.3
85.02905	85.2
87.04471	2.3
91.05471	1.5
93.07040	1.2
95.04946	1.3
97.02886	5.2
101.06026	2.1
105.07001	1.2
107.04952	1.0
107.08640	1.0
109.02897	1.6
111.04455	2.2
111.11723	27.1
115.05543	0.9
119.04992	2.2
127.01907	0.9
127.03927	3.9
127.84698	0.9
129.05472	14.0
129.12759	34.3
129.13698	2.2
147.04430	8.4
147.06494	9.0
147.13815	2.9
262.28534	1.2
294.08817	1.3
309.13855	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01869	6.5
55.05499	4.3
55.16968	1.6
55.57293	1.6
57.03180	3.0
57.03439	35.2
57.07071	4.1
67.05512	29.1
69.03436	2.4
69.07059	4.2
71.04977	3.4
79.05519	12.1
81.07054	13.3
83.08629	2.4
85.06048	2.7
85.06545	33.4
87.22012	1.7
91.05479	12.1
93.07042	13.0
95.04970	45.4
95.08607	8.1
97.06572	2.0
98.26931	1.7
98.98411	2.2
105.07016	10.1
107.04970	3.6
107.08607	10.5
109.05761	2.6
109.06522	37.5
109.10165	3.4
113.06010	100.0
114.06360	2.0
115.21572	1.8
117.07000	6.7
119.08570	3.9
121.10162	2.6
129.07059	3.2
131.08553	9.1
133.10156	6.2
135.08060	37.2
135.11693	3.6
143.08536	3.9
145.10124	7.6
147.08051	4.0
149.09583	2.8
155.01082	2.3
157.10129	4.7
159.11678	3.2
161.09616	4.2
163.11227	2.5
171.11752	2.4
173.13185	2.3
177.12770	1.9
185.13184	2.6
199.14667	2.0
217.15883	12.1
255.17442	3.3
261.06302	1.6
263.02777	4.7
273.18521	17.1
274.18890	1.8
291.19580	53.3
292.20068	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	3.6
55.01868	18.6
55.05509	32.5
57.03427	7.5
57.07076	3.1
59.05002	2.5
62.37031	1.5
65.03950	2.5
67.05501	74.3
69.03424	7.5
69.07061	27.2
71.04996	13.8
71.08618	2.2
75.05972	1.4
79.05038	3.2
79.05489	48.0
79.05946	3.0
81.03404	3.4
81.07053	83.5
82.07373	2.1
83.01328	2.3
83.04980	13.1
83.08603	12.9
85.02895	3.0
85.06530	9.3
86.67777	1.7
91.05473	49.8
93.07043	53.8
94.07353	2.1
95.04963	19.4
95.08604	38.5
97.02872	1.6
97.06536	9.1
97.10154	5.3
98.97599	1.9
98.98469	2.4
99.04463	5.1
99.08111	2.1
103.05487	1.9
105.07027	59.6
105.07735	3.2
107.04956	11.5
107.08588	51.3
109.06506	15.9
109.10146	75.4
111.04451	7.8
111.08067	10.3
113.05993	3.7
117.07033	5.7
119.08556	19.4
121.06525	13.1
121.10123	11.2
123.04404	2.9
123.08089	6.2
123.11705	14.2
125.09619	2.1
127.07555	4.0
129.06998	7.2
131.08577	13.8
131.96619	1.7
133.06528	7.9
133.10121	100.0
134.10478	2.1
135.08063	8.5
135.11670	11.3
137.05933	3.1
137.09596	4.7
139.07530	7.1
141.07005	2.2
143.08519	8.0
145.10126	11.4
147.08035	11.6
147.11671	9.3
149.09615	9.1
149.13290	2.1
151.11172	55.4
152.11467	2.0
153.09160	2.1
153.10675	1.6
157.10164	4.9
159.08011	2.0
159.11720	5.7
161.09633	13.6
161.13234	4.7
163.11176	4.1
165.09138	2.3
165.12752	4.8
166.13097	5.4
167.10649	3.4
167.13400	2.1
169.12199	12.8
171.11653	6.6
173.09676	3.3
175.11205	6.7
177.09114	1.9
177.12759	2.6
179.10725	5.5
179.14326	3.3
181.08594	4.0
185.13280	3.7
187.11156	2.4
189.12752	4.1
199.11075	2.3
203.14345	2.5
207.13786	2.8
209.11716	2.0
215.12819	3.2
217.12202	2.1
227.17934	3.4
245.19009	14.6
255.17433	3.5
263.02710	3.3
263.20053	17.9
273.18475	39.4
274.18835	2.2
291.19531	66.9
292.19806	2.5
309.20279	18.6
309.23380	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02381	1.8
53.01215	1.8
53.03947	2.7
55.01873	17.4
55.05510	27.2
57.03441	5.9
57.07082	4.4
59.05017	2.1
65.03974	2.2
67.05504	74.0
67.76684	1.8
68.05824	2.3
69.03426	5.4
69.07066	27.5
69.30045	7.9
69.80373	1.9
71.01377	2.3
71.04987	10.0
71.27716	1.9
73.53388	1.7
79.05491	41.4
81.03423	3.5
81.07055	88.2
83.01379	2.3
83.04990	15.8
83.08612	9.1
85.06559	7.8
91.05475	52.6
93.07042	44.2
95.04957	14.1
95.08604	27.0
97.06538	6.4
97.10170	4.3
98.98458	2.0
99.04459	5.5
99.08116	2.5
105.07027	54.6
107.04955	5.9
107.08591	52.1
109.06535	12.2
109.10159	86.3
111.04442	3.7
111.08086	7.9
113.06026	4.9
115.07548	1.8
117.07006	5.6
119.08551	13.5
121.06512	10.6
121.10133	12.4
123.04409	3.5
123.08069	6.3
123.11681	13.0
125.02390	2.2
125.05978	2.1
125.09652	3.6
127.07550	4.2
129.07030	4.5
131.08568	10.0
133.06500	6.1
133.10124	100.0
134.10472	4.0
135.08070	6.4
135.11707	5.7
137.05998	2.3
137.09619	6.0
138.99429	2.0
139.07556	3.8
143.08557	6.1
145.10146	7.6
147.08040	8.0
147.11681	5.1
149.09615	4.5
151.11177	67.0
152.45288	1.9
155.45555	2.1
157.10196	4.4
159.08197	2.4
159.11653	3.3
161.09610	9.3
161.13330	3.1
163.11185	4.4
165.12680	1.9
169.12245	18.5
171.11691	3.8
175.11237	5.3
177.09178	2.3
179.10658	4.9
181.08614	3.5
181.12259	2.5
185.13228	2.5
189.12740	3.2
207.13744	2.4
209.11533	2.0
215.12827	6.3
223.81497	2.0
224.20671	1.9
227.17917	3.0
238.57524	2.2
245.19022	15.3
255.17400	2.8
263.02930	3.1
263.20132	10.2
273.18469	30.0
291.19510	48.9
291.22614	3.5
291.85062	2.4
292.20221	2.9
306.44052	1.9
309.20496	23.9
309.23639	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02369	3.6
53.03951	7.9
55.01868	9.1
55.05511	56.4
57.03422	14.3
59.04990	3.9
60.77767	4.0
65.03984	3.8
67.05503	39.9
69.03407	4.6
69.07069	16.1
71.04995	8.6
71.35892	3.7
76.88571	3.9
79.05493	100.0
81.03419	10.7
81.07057	54.2
83.04987	12.4
83.08605	28.2
83.22569	3.4
85.06552	8.8
91.05472	38.4
93.07040	98.3
95.04980	27.1
95.08607	28.1
97.06519	13.7
97.10174	40.7
98.97574	4.4
98.98469	5.6
99.08059	4.2
105.04530	5.5
105.07002	25.6
107.04954	8.2
107.08578	23.2
109.06519	13.3
109.10115	6.2
110.31979	3.7
111.08067	4.9
113.05997	35.3
117.07043	8.5
118.12187	3.7
119.08569	13.2
121.06516	8.0
121.10134	38.5
123.08068	25.2
123.11713	4.4
125.09631	42.4
131.08586	11.4
133.10144	5.9
135.08078	11.2
135.11722	5.7
137.09575	3.9
143.08548	6.0
145.06447	4.3
147.11674	8.3
149.09630	6.4
151.07559	4.5
153.09091	6.6
157.10114	7.4
159.11681	9.1
161.09618	5.4
171.11746	5.6
175.11128	5.0
177.12749	5.6
189.11235	29.8
217.15950	4.8
223.13338	10.8
249.14914	4.9
249.18155	3.8
263.02750	6.0
266.21259	5.3
273.18597	18.3
291.19492	42.5
309.16684	44.4
309.20526	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01886	3.3
55.05513	21.1
57.03447	3.5
57.07067	4.2
59.05005	2.4
65.03950	1.8
67.05504	47.2
69.03445	2.9
69.07072	16.1
69.53758	7.0
71.08632	54.9
79.05498	37.8
81.03420	7.5
81.07063	46.1
83.04989	15.9
83.08636	10.8
85.06544	3.7
91.05485	21.4
91.56145	1.4
93.07050	58.9
95.04968	10.1
95.08612	33.1
97.06541	9.5
97.10159	4.3
99.08096	46.9
105.04588	1.8
105.07036	16.7
106.49429	1.6
107.04969	6.9
107.07912	3.1
107.08591	28.6
109.06536	3.3
109.10162	11.7
113.09681	2.1
117.07031	5.6
119.08591	15.8
121.06529	2.0
121.10140	29.4
122.10557	2.0
123.08082	2.2
123.11717	1.7
127.11264	3.2
129.07021	2.3
131.08546	4.7
133.10130	10.8
134.32588	1.4
135.11697	32.4
137.09587	4.0
137.13246	2.1
141.09077	3.0
142.64856	1.9
143.08623	2.8
145.10150	6.5
147.11713	5.4
149.13260	9.3
151.11189	19.8
153.12755	2.1
157.10173	2.4
159.11707	3.3
161.13301	10.7
163.11230	5.7
163.14825	3.5
167.10733	2.1
173.13326	1.9
177.12856	2.4
179.14313	100.0
180.14656	2.3
181.12183	2.4
189.12744	3.0
190.67703	1.6
195.13715	1.9
203.14214	1.7
221.15381	4.2
235.16960	5.6
241.19516	3.0
259.20609	7.6
277.21640	63.4
278.22092	2.7
309.24384	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.53045	0.9
53.03951	10.5
55.01874	4.8
55.05260	1.4
55.05512	21.1
55.55038	0.8
57.03450	1.0
57.07066	3.6
59.05004	1.4
65.03914	0.8
67.05506	34.0
69.03432	1.3
69.07071	31.8
69.11623	2.5
69.12048	3.2
71.04973	1.6
71.08616	3.2
77.30363	0.7
79.05493	28.1
81.03421	47.7
81.07055	34.2
83.04527	1.0
83.04987	12.3
83.08619	9.7
84.66312	0.9
85.06540	1.4
85.10181	2.1
91.05485	15.2
93.07047	31.9
95.04972	30.3
95.08604	13.1
97.06526	3.1
97.10172	10.2
99.08097	2.2
105.04519	1.0
105.07021	15.1
107.04923	1.0
107.07927	1.4
107.08601	20.9
109.06522	6.0
109.10152	7.5
111.08073	3.1
117.07024	3.6
119.08585	8.4
120.09028	0.8
121.06517	1.6
121.10158	7.5
123.08068	1.9
123.11704	4.4
125.09637	14.5
129.07021	2.3
131.08560	3.5
133.10132	10.1
135.08041	5.8
135.11697	9.2
137.09634	1.4
137.13309	1.5
143.08562	2.3
145.10115	1.9
147.11665	8.6
149.13268	9.1
151.11185	23.9
153.09065	4.9
157.10089	1.8
157.12222	1.8
159.11717	1.3
161.09625	1.4
161.13248	14.9
163.14847	4.5
165.12753	3.8
167.10809	0.9
171.10271	1.8
171.11684	5.0
173.13257	4.3
175.11217	1.1
175.14819	4.1
177.12762	2.5
177.16354	1.3
179.10643	1.5
179.14371	2.4
181.12207	0.8
185.13280	3.5
189.12738	3.1
193.12215	2.5
199.14832	2.2
203.12744	14.0
203.14374	1.6
207.13725	3.0
217.19536	1.3
221.15376	3.2
231.17513	1.4
231.21060	4.7
235.16862	1.2
241.19533	10.6
249.22092	2.5
259.20499	6.4
266.43726	0.9
277.21631	100.0
278.21970	5.5
309.24258	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33464	17.5
51.93256	14.4
54.09026	15.9
54.57904	15.8
56.27834	14.9
56.96561	47.4
68.06931	15.5
69.03426	16.9
69.75050	30.3
69.75396	46.2
84.96022	20.7
85.02927	25.0
93.25945	15.4
98.23226	54.5
98.97601	100.0
110.97602	44.7
116.98606	20.6
128.98663	28.9
138.24670	15.0
170.99660	19.8
180.24274	15.3
219.01830	42.5
237.02751	30.3
291.24792	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34298	33.7
50.59747	32.2
55.44388	33.7
57.52125	36.5
66.83276	34.7
69.03442	36.1
69.80247	100.0
71.04990	64.1
73.44987	40.7
95.13201	32.7
113.06006	52.9
119.02205	39.7
149.07977	40.4
307.77475	41.6
322.84601	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01880	6.8
56.08284	0.7
57.03440	6.5
61.02919	2.0
64.86160	0.7
65.03969	0.9
68.99784	1.2
69.03437	19.8
69.07060	1.8
70.72256	1.6
71.01334	1.9
73.02927	1.6
77.03947	0.9
79.05490	5.7
81.03422	2.6
83.01326	1.2
83.04984	1.2
85.02915	27.5
87.04476	2.4
87.08108	3.4
90.68211	0.8
91.03973	1.1
91.05486	2.7
95.01341	0.8
95.04981	3.2
97.02907	6.7
97.06527	1.7
98.22980	1.4
103.05478	2.3
105.03394	1.6
105.07065	1.2
107.04970	4.2
109.02882	3.0
110.03681	2.1
112.20244	0.8
115.05476	2.8
118.66329	0.8
119.04958	9.5
121.02898	1.0
123.04436	2.7
125.02294	0.8
125.05999	3.9
127.03908	4.3
130.04156	1.6
131.04939	12.4
133.02849	4.6
133.06465	1.7
133.08614	2.0
134.03665	0.9
135.04443	1.4
137.02322	1.4
138.03114	8.6
138.91125	0.8
139.03915	1.1
145.02843	1.9
145.04977	6.5
145.06505	1.6
146.03629	0.9
147.04425	14.5
148.05246	0.8
149.02364	3.3
149.05969	1.2
150.03143	9.0
151.03917	26.4
152.01112	1.1
153.05473	14.3
155.04927	1.4
157.02861	1.1
159.04433	18.7
160.04956	1.0
161.02391	2.5
161.05986	2.7
162.03142	7.4
163.03946	4.6
163.06029	2.6
163.07370	0.8
164.04759	3.7
165.01849	2.2
165.05487	6.4
166.02638	7.5
167.03372	4.9
171.04428	3.2
171.06575	1.0
173.02394	1.3
173.05896	0.9
175.03923	25.5
176.04669	10.0
177.01857	6.6
177.05447	13.4
178.02632	13.0
179.03407	34.8
179.07036	3.5
180.00597	3.3
180.03842	1.1
181.04968	93.3
182.02115	5.8
182.05249	2.1
186.03117	1.5
187.03929	11.6
188.04674	1.2
189.01837	1.1
189.05527	2.3
190.02673	3.7
191.03410	14.2
191.06982	5.1
192.04207	4.7
193.01390	4.3
193.04970	39.0
193.08653	1.3
194.02075	7.1
194.05168	1.0
195.02902	16.4
195.06566	2.1
197.04466	100.0
198.04823	3.2
199.03935	3.1
201.05495	2.0
202.02599	2.6
203.03357	6.2
203.07114	2.0
204.04187	12.2
205.01382	1.4
205.04974	27.8
206.02039	6.1
206.05582	1.0
207.02950	6.5
207.06532	13.6
208.03615	1.8
209.04472	41.4
211.02405	6.4
214.02638	1.7
215.03407	11.7
216.04195	4.6
217.01514	0.9
217.04982	6.2
218.02017	2.1
219.03120	4.8
219.06523	24.4
220.03743	1.9
221.04462	46.9
222.04871	1.6
223.02441	10.4
223.05986	9.4
225.03937	3.1
227.03436	1.6
229.04951	3.9
230.02095	1.6
231.02927	5.3
231.06586	2.9
232.03687	5.7
233.04442	25.3
235.06029	12.2
236.06387	1.0
237.03957	5.2
239.05690	1.6
242.02150	1.0
243.02902	5.5
245.04495	7.0
246.05220	1.3
247.06042	37.0
248.03320	1.5
248.06270	1.3
249.03932	7.6
249.07599	1.6
251.05502	8.8
257.04535	6.4
260.03278	3.9
261.03918	1.4
263.05521	51.8
264.05850	1.9
265.07141	4.2
267.05029	2.1
275.05511	37.2
276.05829	1.1
281.06573	28.0
282.06860	1.2
293.06577	36.3
294.06903	1.9
311.07629	41.1
312.07941	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	311.1339
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
56.96564	5.7
57.03435	3.5
61.02935	4.7
61.50296	1.8
67.05509	6.8
69.03429	15.2
69.07076	4.0
69.74024	1.6
69.83391	4.7
71.01360	13.4
71.04996	100.0
72.05338	3.7
73.02924	3.2
81.03448	2.7
85.02908	22.3
86.05171	1.6
87.04469	3.3
89.02397	32.2
89.06043	2.0
91.86263	1.7
95.04990	6.1
97.02897	6.2
98.97578	16.9
109.02883	2.4
110.97569	5.7
110.99642	1.8
113.06010	97.0
114.06356	5.1
115.07579	2.1
116.98637	4.9
119.01847	2.4
123.90499	1.5
125.28073	1.5
127.03947	5.2
128.98610	3.6
131.07047	80.4
132.07391	9.9
143.00180	2.7
145.04999	3.0
146.99684	1.8
149.08101	40.5
152.98604	2.9
158.99702	2.3
175.04411	3.4
181.04918	2.3
182.99590	1.6
184.04987	4.6
197.04475	3.5
201.00717	2.0
219.01765	14.0
229.03856	3.1
237.02867	14.7
311.07379	2.9
312.10736	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	311.1491
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.03945	4.5
55.01869	2.6
55.05516	6.6
57.03444	2.9
67.05502	6.5
69.03433	17.5
69.07065	3.4
70.07401	1.2
71.04986	3.7
73.02919	1.4
79.05492	26.2
81.03417	25.1
81.03891	1.3
81.07058	11.5
83.05005	2.5
83.08624	3.2
85.02908	14.8
85.06564	1.0
91.05478	21.0
93.07045	74.3
94.07362	1.4
95.04963	7.5
95.08598	8.4
96.08929	1.0
97.02895	3.2
97.06541	2.7
97.10204	2.5
98.98505	1.2
99.04467	2.7
99.08100	1.7
103.05478	3.4
105.04544	2.6
105.07033	27.4
106.07821	1.1
107.04994	1.2
107.08598	17.2
109.02873	8.3
109.06513	3.0
109.10139	2.7
111.08084	2.1
116.06249	1.0
117.07032	2.1
119.08592	10.5
121.06519	3.6
121.10142	100.0
122.10526	2.3
123.08094	7.2
123.11713	3.2
125.05927	1.2
125.09641	2.8
127.03917	4.8
129.07036	1.2
131.08578	9.2
133.07623	3.3
133.10153	3.5
135.11647	1.8
139.11186	3.1
145.10170	1.8
145.25507	1.2
147.11693	1.1
149.09615	55.1
150.09901	1.7
156.76495	1.3
163.11201	1.4
167.10635	7.8
175.11127	1.4
180.13893	1.4
181.14085	1.5
189.11407	1.2
191.10757	1.1
203.12799	1.4
225.41402	1.0
275.20093	3.1
293.13843	17.5
293.21060	2.7
310.27579	2.1
311.14880	6.0
311.18024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01867	1.2
55.05501	4.3
55.29069	0.4
57.03434	5.2
57.07074	0.5
58.53564	0.5
61.02925	1.5
65.03931	0.7
67.05496	4.4
69.03426	22.5
69.07055	1.0
69.34064	1.1
69.34481	1.8
71.01369	0.7
71.04991	2.0
73.02917	1.5
75.04482	4.2
77.03918	2.4
79.05491	34.8
81.03416	19.0
81.07050	4.2
83.04968	0.9
85.02902	13.5
87.04469	0.9
91.05479	16.6
93.07042	100.0
94.07372	1.6
95.04967	7.3
95.08595	4.6
97.02891	10.4
97.06523	0.9
99.04452	3.9
103.03938	0.6
103.05454	1.0
105.04519	2.9
105.07031	11.7
105.07734	0.9
106.07789	0.9
107.04983	1.0
107.08592	25.3
108.08925	0.6
109.02872	7.3
109.06524	2.1
109.10163	1.6
111.04465	1.1
111.08100	3.7
117.07010	2.2
119.08581	29.3
121.06499	1.9
121.10139	96.3
122.10479	2.0
123.08073	2.7
123.11704	1.8
125.05994	1.5
127.03891	5.1
129.05458	1.4
129.06973	1.1
131.08566	3.8
133.07639	1.0
133.10143	1.9
135.08040	1.0
135.11670	0.7
139.11191	1.7
143.08507	0.7
145.04980	2.6
145.10110	2.8
147.08012	1.1
147.11665	0.7
149.09605	11.9
155.08530	0.5
157.10110	1.0
159.11755	0.7
161.09534	1.0
163.11172	1.4
167.10680	12.4
173.09557	1.0
173.13330	0.6
175.11142	0.9
187.11156	0.6
191.10664	1.1
195.17981	0.5
271.17975	0.5
275.19931	0.8
283.15305	1.4
293.13803	6.4
311.14993	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	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01875	3.3
57.03438	5.7
61.02936	9.4
65.20384	0.8
69.03437	17.6
69.07077	8.3
70.41940	0.8
70.42258	1.8
71.04973	2.5
73.02916	3.8
81.03430	7.8
83.01320	1.2
85.02914	100.0
86.03236	1.4
87.04474	2.2
87.08112	20.9
91.03967	6.5
97.02908	25.6
98.23220	1.6
99.04449	4.5
105.09176	1.5
106.23051	0.7
109.02895	7.4
115.07563	2.2
127.03930	23.9
131.11629	0.8
133.08603	6.3
145.04967	48.6
146.05328	1.1
148.04709	0.8
150.03078	0.9
151.03838	1.6
152.04237	1.4
160.04713	0.9
163.06042	12.7
175.04071	1.1
176.04303	2.7
177.05087	1.5
179.03342	2.3
180.03772	1.9
181.04993	3.9
182.05313	6.1
188.04271	1.0
192.03798	1.4
193.04868	1.7
194.05315	3.4
195.02774	1.1
197.04474	3.1
198.04877	7.0
205.04793	1.3
206.05354	1.7
207.02562	1.2
208.06873	1.1
209.04488	1.4
210.04778	2.6
215.03197	0.9
216.03691	1.1
220.06929	2.3
222.04756	3.5
232.03191	1.1
233.04202	0.9
234.04807	1.9
244.03148	1.0
248.06386	3.7
250.04070	0.8
264.05884	5.0
276.06049	4.3
282.06964	3.2
294.06970	5.2
295.52094	0.9
312.07825	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01892	0.7
53.03944	2.1
55.01877	2.6
57.03444	4.8
61.02931	11.7
69.03432	16.8
69.07066	9.9
69.42416	2.9
71.04990	2.9
73.02917	4.7
81.03411	7.7
81.12980	0.8
85.02906	100.0
87.04461	2.4
87.08107	22.0
91.03966	5.9
97.02898	25.8
99.04456	3.5
103.76870	0.9
105.09132	2.5
109.02876	7.3
115.03925	0.9
115.07550	1.2
127.03916	24.1
133.08604	5.4
145.04961	52.7
146.05334	1.5
163.06001	13.2
181.04980	1.7
182.05287	1.2
196.03342	1.0
198.04796	2.1
203.48497	0.7
221.25308	0.8
222.04758	1.0
248.06190	0.9
261.85779	0.9
264.05740	1.7
276.06012	1.0
287.50305	0.9
294.06921	1.1
295.13916	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	312.2901
Annotation	(plusmn)13-Azaprostanoic acid
Peak:m/z	Relative Intensity
55.05515	5.5
57.03426	0.7
58.06612	6.6
67.05516	11.6
69.07067	2.8
71.05003	1.3
79.05177	0.5
79.05510	5.7
81.07070	12.8
83.04990	0.7
83.08635	2.2
85.62551	0.6
90.15374	0.6
91.05484	1.9
91.59811	0.5
93.07049	5.1
94.07442	0.6
95.08611	10.0
105.07070	1.7
107.08611	2.9
109.10165	4.5
111.11732	0.6
119.08591	1.7
121.10166	2.1
123.11694	1.0
133.10155	0.9
145.10100	0.7
148.12106	0.7
149.13251	0.8
169.14252	0.7
235.00134	0.7
277.21698	1.5
294.27951	2.9
312.28995	100.0
313.29272	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	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
65.03933	2.2
67.05499	1.3
69.03419	1.2
69.07058	0.7
69.10894	0.5
69.11309	1.5
71.01346	0.3
73.73232	0.2
74.98208	0.3
79.05482	0.5
81.03428	1.2
81.07059	2.3
81.14156	0.3
83.01282	0.3
83.04976	3.3
85.02905	0.6
91.05473	0.4
93.03392	0.4
93.07044	0.6
95.08591	1.0
96.02105	0.7
97.10174	0.3
98.97563	0.6
107.01261	0.3
107.08581	0.4
109.02887	0.3
109.10113	0.4
111.04449	4.3
116.98607	0.7
121.10112	0.3
123.11699	0.8
124.01610	0.3
125.02325	0.8
133.10110	0.3
139.03882	0.7
147.04378	0.3
152.01070	0.3
157.04962	9.0
161.05972	0.3
165.05406	0.5
167.03386	100.0
168.03697	2.7
170.15387	0.4
171.04437	0.3
193.04991	2.1
193.08702	0.3
195.02859	0.6
198.14871	1.0
209.04430	0.6
215.07001	1.0
221.02277	0.5
221.04445	9.5
221.06540	0.5
223.05954	0.6
231.06662	0.5
233.04498	0.3
233.08131	2.6
235.05798	0.5
237.03893	1.6
249.07617	0.7
251.05501	0.9
259.05997	0.5
277.07080	0.9
277.37192	0.3
288.91861	0.2
290.94708	0.8
295.08008	4.1
312.28915	2.6
313.11737	0.3
313.16049	0.5
313.29291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.8
57.03439	17.7
57.07077	49.3
59.05040	0.9
60.08159	1.3
61.84724	0.8
61.99836	0.9
67.05507	10.4
69.07071	9.6
71.08631	30.0
79.05486	0.9
81.07057	11.3
82.95013	0.9
83.08620	12.3
85.10184	17.2
89.06023	3.5
92.10926	1.0
93.07044	2.0
93.70956	0.7
95.08610	17.2
96.39743	0.7
97.10153	5.8
98.97590	7.7
99.11749	1.3
100.04765	0.9
103.07611	2.9
109.10147	7.4
109.53830	0.8
111.11709	1.8
116.98602	5.0
123.11703	2.4
134.99638	1.8
137.13290	1.5
150.54533	0.9
151.14778	1.0
216.02983	1.1
219.96652	0.9
233.06528	0.8
233.48872	0.8
239.23672	4.8
257.24738	5.1
290.94861	5.9
313.27359	100.0
313.36642	3.6
313.96106	1.1
314.13760	2.0
314.27600	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	314.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04901	0.5
53.03941	1.6
54.86326	0.5
55.01869	1.8
57.03444	6.7
59.04996	2.5
59.05263	0.6
61.02918	2.0
61.44975	0.5
69.03426	5.4
70.22530	0.6
70.22896	1.2
71.01357	5.2
71.05000	5.4
73.02919	8.9
75.04489	3.1
79.01890	1.3
81.03411	4.4
85.02911	10.3
87.04479	0.7
89.06049	0.9
97.02881	3.5
99.03815	0.8
99.04461	14.5
109.02889	2.2
117.05497	100.0
118.05823	1.6
120.53861	0.6
125.02388	1.4
127.03879	3.7
135.06544	1.3
138.88768	0.6
143.03397	2.2
145.04942	3.2
148.05930	0.5
152.07065	0.9
153.01831	31.7
153.02881	1.5
161.12424	0.5
163.06049	0.7
164.93556	0.6
171.02858	1.1
175.17049	0.5
176.59981	0.5
205.31487	0.6
249.82684	0.5
261.09726	0.6
297.06070	1.8
314.99008	0.7
315.04813	3.8
315.10489	11.1
325.77612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02378	0.6
53.03949	1.3
53.39849	0.2
55.01878	0.4
57.03428	0.9
61.02935	0.5
67.99850	0.2
69.03429	6.5
69.39828	1.0
69.40204	0.4
71.04986	0.8
79.01852	4.5
79.02289	0.4
80.00331	0.2
81.03418	11.6
85.02902	5.1
97.02892	4.7
98.23369	0.3
99.04460	1.3
107.01310	2.5
109.02878	6.6
109.03629	0.4
123.00753	0.2
125.02357	3.9
127.03914	5.5
143.03397	6.7
145.04932	0.3
153.01826	100.0
153.02907	6.5
154.02168	2.5
154.08643	0.2
171.02896	3.8
186.20845	0.3
191.03526	0.2
237.03891	0.4
246.15695	0.2
256.88043	0.2
291.97662	0.2
297.06036	7.8
298.06277	0.2
315.07056	1.7
315.10306	0.3
315.14020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01589	0.4
51.02386	0.8
53.03956	1.9
55.01871	0.3
57.03426	0.9
61.02928	0.4
64.68623	0.2
69.03432	7.8
71.04991	0.7
73.02921	0.6
79.01440	0.4
79.01861	4.4
81.03423	14.1
85.02911	4.6
97.02897	5.2
98.03259	0.2
99.04449	1.5
99.05865	0.3
107.01325	2.3
109.02889	7.0
110.03156	0.2
113.26640	0.3
120.47305	0.2
125.02355	3.6
127.03918	5.2
143.03406	6.1
145.05023	0.5
153.01837	100.0
153.02913	6.0
154.02159	2.1
154.03256	0.3
171.02921	3.8
171.14703	0.3
191.03329	0.3
297.06064	9.9
298.06476	0.5
315.07074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.2
51.02388	0.5
53.03959	0.7
54.51335	0.1
55.01862	0.2
57.03438	0.6
61.02913	0.4
66.21378	0.1
69.03437	4.8
69.78854	0.4
71.04984	0.4
79.01386	0.1
79.01861	4.5
81.03425	7.4
85.02916	5.4
91.05556	0.1
94.04670	0.1
97.02904	2.6
98.02345	0.1
98.22926	0.2
99.04469	0.7
107.01332	2.4
109.02890	4.9
123.00820	0.2
125.02361	3.9
127.03926	5.6
135.00797	0.3
137.03461	0.2
137.66397	0.1
143.03409	6.8
145.04997	0.2
153.01842	100.0
153.02896	5.1
154.02180	2.9
154.03279	0.1
163.03961	0.1
171.02901	5.4
172.03264	0.2
173.14214	0.1
179.81822	0.1
240.72661	0.1
263.19925	0.1
263.91254	0.1
297.06064	3.4
315.07098	1.8
315.14108	0.1
316.07227	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1051
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
57.03436	1.0
61.02945	0.5
62.99867	0.4
69.03440	3.1
71.05038	0.6
75.33574	0.4
79.01881	1.7
81.03409	3.1
84.91209	0.6
85.02943	2.7
89.19962	0.5
94.93015	0.9
97.02890	2.2
98.23071	3.2
99.04478	1.1
101.06017	1.4
107.01281	0.6
109.02873	2.3
117.05499	1.9
118.05814	0.8
125.02366	1.8
127.03948	2.9
143.03421	2.1
153.01843	43.6
153.02898	2.0
153.07518	0.7
154.02184	1.0
159.95576	0.5
164.93503	1.2
171.02921	1.8
180.87970	0.5
188.93546	0.8
209.18073	0.5
213.06102	0.8
221.05121	0.8
245.05075	0.6
247.06679	1.1
276.88351	0.5
296.97705	0.8
297.06097	2.2
315.05127	10.8
315.10516	100.0
316.10895	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	315.1049
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
59.20700	0.4
69.03407	0.8
70.65441	0.3
70.95693	0.4
70.96026	0.5
79.01834	0.4
81.03400	0.6
85.24435	0.3
97.02866	0.5
102.17118	0.3
123.88061	0.3
127.03910	0.4
143.03354	0.4
153.01837	8.6
153.03065	0.6
185.04115	0.4
259.44772	0.4
279.03741	0.4
315.10480	100.0
316.10834	3.7
330.07220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1343
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
55.01889	0.9
62.08766	0.6
63.01600	0.7
65.27304	0.6
67.05502	1.9
69.03436	1.2
69.31607	3.4
77.03931	0.9
79.05501	2.8
79.53693	0.6
80.04990	0.6
81.03423	2.2
81.07021	1.0
83.04990	1.3
85.02921	1.0
91.05489	2.7
92.06266	1.9
94.06564	5.5
95.04964	1.9
96.08122	1.9
97.02930	0.7
98.97596	1.2
104.05004	8.7
105.04569	0.7
105.05791	0.6
106.06583	4.6
107.04955	1.1
107.07341	1.2
108.08127	1.1
110.06040	1.3
116.05299	1.0
116.98621	1.2
118.06541	4.0
119.07339	5.5
120.05730	1.3
120.08121	2.2
122.06032	6.0
122.09770	1.3
123.06879	0.9
124.03944	1.8
124.06789	0.8
124.07606	10.5
127.03940	1.3
129.06998	0.7
134.06056	0.7
135.23273	0.7
136.07494	1.4
138.05481	2.2
143.03506	0.8
146.06076	3.1
147.06818	9.1
148.07538	1.6
150.05508	3.0
150.09180	1.1
152.07086	3.2
153.01846	11.2
153.03049	0.9
162.05487	2.1
164.07040	4.2
165.07884	5.2
166.08617	2.9
168.06580	17.9
168.07986	0.6
180.06564	14.9
184.11276	1.1
185.10715	2.0
186.11508	1.0
192.06575	40.6
192.10127	1.4
193.07285	3.2
194.08154	8.2
199.08667	2.0
199.12271	3.6
200.10844	1.4
200.13120	1.1
202.43576	0.8
210.09222	1.5
211.10074	0.8
212.09344	1.9
213.10254	7.7
214.11008	2.1
214.83008	0.7
215.11771	0.7
225.10223	1.4
227.08310	1.2
227.11772	10.0
228.12634	2.9
240.08881	1.6
241.09760	28.6
242.10271	3.1
243.11348	1.6
244.13492	1.6
245.04616	0.8
245.13004	1.4
253.13345	1.0
255.11302	13.5
256.12085	2.4
259.14459	5.4
269.12927	1.8
270.11215	2.7
271.10907	1.1
272.11801	1.2
273.04050	1.4
273.12344	7.3
287.13910	11.4
288.14206	1.0
297.12372	2.4
298.10690	1.6
299.10321	4.1
300.11063	26.6
301.11417	1.3
315.13416	100.0
316.13745	5.9
333.08221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1933
Annotation	E-64c
Peak:m/z	Relative Intensity
56.05026	1.7
57.07074	3.5
58.33648	0.6
60.04508	0.6
62.98250	0.9
68.89374	0.5
70.06579	1.1
71.08636	2.2
74.06079	5.6
80.55100	0.5
85.10173	1.0
88.07634	14.4
89.66008	0.5
98.22648	1.2
98.97595	3.8
102.05527	0.9
105.03391	3.5
106.08644	2.8
107.08519	0.6
116.98603	2.7
120.06586	1.7
134.99683	1.2
149.05972	5.0
170.51590	0.6
187.11827	0.6
213.95372	0.6
268.94080	1.8
270.27902	3.9
274.97589	1.0
292.98682	0.8
294.91562	0.6
298.27411	1.2
315.07492	2.3
315.19308	100.0
316.19760	6.6
316.28452	20.5
316.32120	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	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
56.28397	0.2
57.07075	15.1
58.06591	0.3
58.07425	0.2
60.04513	0.6
62.06080	0.4
69.07045	0.3
69.69513	0.7
70.06593	14.8
71.08633	8.0
71.08939	0.2
71.09032	0.3
74.05782	0.3
74.06139	0.4
79.64601	0.2
81.07052	0.3
85.10174	4.4
86.06084	0.4
87.04464	0.4
88.07628	24.2
97.59150	0.2
98.22697	0.3
98.97613	0.5
102.09196	0.6
106.08665	30.7
107.09025	0.4
116.98621	0.4
166.14574	0.2
256.26291	0.3
270.56570	0.2
288.92120	0.3
298.31021	1.0
302.51154	0.2
316.32086	100.0
317.32407	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	317.0297
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.41516	0.2
55.01850	0.2
56.61744	0.2
69.78677	0.5
70.44766	0.2
71.51888	0.2
79.87857	0.2
86.09689	0.3
89.03934	0.5
95.04973	0.2
95.08559	0.2
98.23065	0.6
117.03403	1.0
118.02612	0.2
134.03679	0.2
135.58789	0.2
138.05540	0.2
145.02875	2.2
146.03520	0.2
155.04944	0.3
157.13307	0.3
162.03168	1.1
171.04349	0.2
173.02374	4.8
174.03008	0.3
183.00780	0.2
187.03882	0.3
190.02621	2.0
191.03355	0.2
199.03889	0.3
201.01846	9.5
202.02429	0.4
211.00293	0.2
215.03419	0.5
218.02133	3.3
219.02934	0.2
225.01883	0.6
227.03403	0.4
228.00603	1.2
228.02583	0.2
229.01360	4.8
230.01929	0.2
243.02893	0.9
246.01637	5.9
247.02315	0.3
253.01385	0.5
255.99992	0.3
257.00842	32.1
258.01163	1.3
271.02365	1.5
274.01151	1.3
275.01660	0.2
283.99411	0.4
285.00323	43.4
286.00882	3.3
287.10138	0.2
289.03497	0.2
299.01886	1.8
299.10309	0.6
299.13657	0.2
302.00604	29.1
303.00995	1.4
317.02954	100.0
318.03296	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	317.2114
Annotation	Galeopsinolone
Peak:m/z	Relative Intensity
53.03959	6.5
55.01870	2.9
55.05530	4.1
57.03440	13.5
57.07076	6.9
64.81020	2.3
65.03965	3.2
67.05518	26.2
69.03427	4.7
69.07076	7.9
72.35763	2.6
79.05513	5.1
81.03425	70.3
81.07065	25.6
83.04988	6.1
83.08654	4.2
88.07645	5.6
91.05496	5.1
93.07041	6.1
95.04979	100.0
95.08629	19.5
99.08111	4.7
105.07063	6.3
107.08600	11.2
109.06515	14.8
109.10169	20.2
113.09737	2.4
119.08599	8.4
121.06540	8.0
121.10171	8.4
123.04446	14.4
123.08105	9.2
123.11712	43.3
123.12529	3.8
131.04881	2.6
133.06421	2.8
133.10129	6.2
135.08049	7.5
137.09679	4.2
137.13274	13.1
141.05467	3.0
143.08563	3.3
145.06525	7.4
145.10190	5.1
147.08047	4.5
147.11728	5.9
149.09621	3.2
149.60277	2.8
155.07108	3.9
157.10222	3.3
159.08080	3.3
159.11737	3.4
161.09673	4.8
161.13239	4.0
165.12764	17.3
173.09628	3.0
173.13326	2.3
177.16396	5.6
187.11192	3.2
189.12712	3.1
199.14944	2.6
201.12906	2.8
205.15921	15.3
231.17552	3.0
241.15868	2.5
261.18329	2.5
271.20593	4.9
271.25504	2.4
281.19098	4.6
295.23181	2.8
299.20035	18.0
316.32059	4.2
317.21097	48.3
317.32559	11.2
318.24185	3.9
318.30124	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
53.11255	1.3
55.01874	2.7
57.03438	2.8
59.66072	1.4
60.04199	1.0
61.02932	8.7
66.86297	1.1
69.03432	16.1
70.06600	32.7
71.04990	2.0
71.44531	1.4
73.02918	4.4
73.81269	1.0
81.03423	5.9
83.01373	1.5
85.02914	100.0
87.04483	1.5
91.03967	6.3
91.05482	2.5
93.07052	3.4
95.04994	1.5
97.02901	19.3
98.23093	1.3
99.04468	4.4
103.03936	1.8
103.05450	1.3
105.07081	1.4
109.02894	8.6
111.04420	1.1
115.00865	1.0
121.02883	14.3
121.06519	85.4
122.05037	1.4
122.06876	2.9
127.03918	20.4
128.23772	1.2
130.06548	1.9
138.05536	2.6
139.03926	19.7
140.07033	2.4
145.03830	2.6
145.04971	40.2
145.06346	2.4
146.05200	1.3
155.02382	1.2
156.06563	2.7
158.06049	1.8
159.08083	2.9
163.06046	11.3
174.11333	2.4
175.08791	2.7
180.08693	4.4
182.08234	1.8
183.08200	1.2
185.06015	1.6
187.07561	16.2
201.09024	1.6
205.08643	10.1
221.09322	7.0
229.08600	6.8
235.09692	3.7
247.09648	7.2
265.10867	5.9
294.73770	1.2
318.12442	7.0
318.19260	2.0
330.34998	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76863	1.4
53.03937	3.0
53.17773	1.5
55.01879	2.8
55.74610	1.4
57.03430	7.5
61.02933	10.8
61.12313	1.3
69.03435	18.7
71.04989	2.4
73.02924	7.1
81.03413	9.2
85.02908	100.0
87.04475	3.3
89.27975	1.4
91.03967	8.3
91.05467	3.1
92.77051	1.3
93.07055	2.0
97.02899	25.7
98.97565	2.3
99.04465	3.8
103.05461	2.3
109.02886	8.1
121.06512	71.0
127.03925	22.2
138.05527	3.3
145.04962	47.3
153.01866	1.4
154.02145	2.2
156.10208	6.1
159.08072	3.2
162.07640	2.2
163.06050	7.8
179.07079	1.9
180.08685	21.1
187.07552	12.9
205.08597	9.6
229.08588	4.1
247.09650	4.7
265.10794	2.6
300.06592	1.6
318.11456	7.9
318.15463	3.8
319.13638	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17600	1.6
55.01853	2.7
57.03430	4.1
61.02927	9.8
69.03435	17.9
69.86092	5.9
70.06608	11.7
71.05014	3.0
73.02932	4.7
81.03423	7.0
85.02903	100.0
87.04487	2.4
91.03969	4.8
91.05484	2.3
91.55534	1.7
93.07060	5.3
95.04974	2.7
97.02890	21.0
98.27367	1.6
99.04480	3.7
109.02877	6.7
121.06506	69.3
127.03922	16.6
130.93991	1.6
138.05519	3.8
140.07066	3.1
145.04967	36.6
145.06166	2.7
145.06555	2.0
154.02121	1.8
155.02289	2.6
156.10175	2.9
159.08090	3.0
163.05965	8.4
174.11261	3.5
180.08693	4.2
182.08299	2.0
187.07518	14.4
205.08556	10.8
217.08720	2.1
221.09267	3.5
229.08632	5.1
235.10002	2.0
247.09726	6.1
265.10800	4.6
318.12393	23.2
318.19089	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.4
53.03938	0.7
55.01874	0.5
55.05504	0.5
57.03432	1.1
59.50110	0.4
61.02920	1.1
66.55979	0.4
67.05502	0.5
69.03432	3.3
69.48769	1.7
73.02908	0.7
76.65513	0.4
79.59571	0.4
81.03403	1.4
82.06597	0.5
85.02912	6.8
91.03960	0.4
91.05480	0.4
93.07044	1.6
95.08604	1.4
96.04486	3.6
96.08146	2.2
97.02898	2.9
97.05259	2.4
97.06544	1.1
98.02052	0.3
98.22771	0.6
100.07665	0.8
108.08147	0.4
109.02888	1.2
110.06049	6.0
110.09686	3.1
111.08080	0.9
120.08107	0.7
121.06507	6.3
125.08418	0.7
126.09182	8.2
127.03915	1.2
138.05460	0.8
138.09149	20.5
139.03963	0.5
139.07532	1.7
139.09331	0.3
140.10579	0.4
145.05049	0.7
152.10562	0.4
156.10211	100.0
157.10565	2.7
168.10219	0.8
174.11311	2.9
198.11200	0.9
222.11382	0.6
301.11752	1.0
318.15506	2.8
318.19177	2.4
319.12695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	8.5
58.83030	0.6
66.83453	0.7
69.78088	2.0
98.22732	1.1
98.97588	100.0
99.97936	1.6
100.97211	1.3
100.97991	0.7
101.68119	0.8
102.17690	0.6
102.96872	1.4
116.98628	48.3
117.98916	0.8
122.09303	0.6
134.99678	14.1
135.00626	0.6
138.58838	0.6
140.00201	0.9
153.00789	1.0
172.94350	1.1
174.97667	0.8
177.00897	1.0
179.00801	1.1
205.02269	1.2
212.92242	0.8
214.95357	1.2
216.98738	3.1
219.01939	0.8
232.94373	0.7
232.96574	1.9
234.99896	3.4
240.98602	4.5
250.97523	1.4
256.96439	3.1
258.99765	61.3
259.99982	9.4
260.99820	0.9
272.94391	1.3
274.97528	14.0
276.97678	3.4
277.00821	64.5
278.00992	7.8
278.96930	2.1
279.00797	1.5
290.95566	1.3
292.98544	7.9
294.98608	2.1
296.97778	1.5
297.04752	0.8
298.97922	1.6
300.97427	1.8
311.46179	0.7
316.98764	1.3
318.94894	1.1
318.98611	2.5
319.02112	1.1
336.95541	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	319.045
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
55.01871	0.5
65.03929	0.4
65.46411	0.2
67.01857	0.5
67.79440	0.2
68.99787	3.0
69.03439	0.2
69.35352	0.6
79.01849	0.2
81.03398	0.3
86.09718	0.2
93.03402	0.3
97.02865	0.8
98.23399	0.4
105.07027	0.3
107.01312	0.4
108.13004	0.2
109.02876	0.5
111.00801	2.2
111.04435	0.6
117.06966	0.2
121.02837	0.6
123.04405	0.6
124.07590	0.4
125.02352	2.0
126.03152	1.3
126.09145	0.2
127.03925	1.5
133.02872	0.4
135.04454	0.2
137.02339	4.0
137.05960	0.2
139.03935	0.6
143.04924	0.3
147.04445	0.3
149.02367	0.2
149.06013	0.2
151.03899	0.5
152.07079	0.3
153.01819	17.0
154.02176	0.6
155.04825	0.2
157.59377	0.2
161.05937	0.3
163.03981	0.2
165.01836	10.1
166.02530	0.6
166.04997	0.9
167.03365	0.7
169.01314	0.6
171.04358	0.4
173.06006	0.3
175.03847	0.7
177.05446	1.2
178.02573	0.2
179.03389	5.9
180.03746	0.2
181.01288	0.4
182.04491	0.4
183.02884	1.0
189.01797	0.3
189.05443	0.9
191.03284	0.2
192.04111	0.2
193.01289	0.6
193.04907	0.5
195.02892	4.6
199.03917	0.7
201.05592	0.3
203.03403	2.4
204.04152	0.4
205.04964	0.2
207.02885	4.4
208.03496	0.2
217.01357	0.2
217.04956	2.2
219.02959	0.2
221.04451	1.4
227.03409	1.1
229.05081	1.0
231.02866	0.9
232.03685	2.2
233.04185	0.3
235.02399	0.7
245.04453	8.5
246.04779	0.5
249.03989	1.3
255.02893	1.5
255.11353	0.2
259.02322	0.5
263.05365	0.9
271.10803	0.5
273.03931	13.8
274.04340	0.8
277.03305	0.4
283.02383	1.3
283.10782	0.4
289.11923	0.2
290.04233	3.0
291.04703	0.2
301.03403	3.6
301.11649	0.9
302.04056	0.2
319.04462	100.0
320.04794	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	319.0793
Annotation	Flustramine C
Peak:m/z	Relative Intensity
52.48393	2.8
67.53831	2.9
69.55775	11.7
72.69734	2.6
88.02158	3.6
102.54771	3.3
138.21732	3.0
201.72926	3.0
214.49377	3.2
215.74023	2.9
252.92987	3.6
319.07568	100.0
320.08163	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	319.0793
Annotation	Flustramine C
Peak:m/z	Relative Intensity
51.64004	10.3
56.96576	12.5
67.38191	10.6
69.27098	8.5
69.94479	16.1
69.94806	21.4
71.46934	8.9
85.02908	19.3
97.02895	12.5
98.23454	12.7
98.97604	21.7
109.02940	12.6
142.50606	9.8
157.04771	25.0
319.07422	100.0
319.13882	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	319.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.8
60.90160	0.3
85.02928	0.6
97.02863	0.4
98.22931	1.8
98.97594	1.7
109.02876	1.3
116.98661	0.6
121.88878	0.3
132.95889	0.4
134.12813	0.3
135.61494	0.3
141.05479	1.6
157.08455	0.4
158.99686	0.3
174.96890	1.0
177.00775	0.4
196.07716	0.3
208.02939	0.3
226.37701	0.3
234.12198	0.3
234.99004	0.3
237.02753	0.4
258.99747	0.5
319.13651	100.0
320.13953	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	319.9603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72968	0.6
56.96570	5.0
66.64110	0.6
69.29072	0.6
69.80716	1.3
78.97385	0.6
98.23164	1.3
98.97588	42.7
100.25775	0.6
102.96887	1.4
116.98637	14.7
121.01771	0.6
132.96469	0.6
134.99644	4.0
156.96628	2.9
172.63559	0.7
174.96243	1.0
174.97658	11.3
175.97815	0.7
176.90213	1.7
192.98734	5.9
194.91214	13.7
194.92880	1.1
198.97600	5.8
212.92273	22.5
213.92259	1.0
216.98718	84.2
217.98868	4.7
218.91190	3.0
219.02097	1.0
230.93330	9.4
234.99773	100.0
235.99890	3.8
236.92245	9.3
240.00237	1.0
248.94443	1.6
252.15706	0.6
253.00888	2.0
254.93343	51.5
255.93491	3.3
258.01352	1.0
258.99722	1.0
272.94403	87.7
273.94501	5.3
274.90475	0.8
274.94791	1.2
274.97385	0.8
277.95023	1.2
278.93463	1.1
278.96793	1.4
288.92093	0.9
290.95465	29.9
291.95673	2.5
292.91379	1.1
295.95917	3.7
296.94327	9.0
296.97510	1.0
313.97287	0.8
314.95432	42.9
315.95605	2.4
332.96457	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	320.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01866	1.5
56.96564	1.6
57.03425	2.9
60.69586	1.1
61.02933	6.4
62.19239	1.0
63.16874	1.2
69.03429	12.2
69.07074	3.2
70.03725	1.1
70.06608	1.6
71.04995	13.4
73.02920	2.7
81.03419	11.5
85.02907	46.2
87.04465	1.7
89.02395	3.2
91.03965	2.8
91.24794	1.1
95.05025	1.8
97.01691	1.1
97.02885	12.1
98.23502	2.2
98.97603	4.8
99.04410	2.7
109.02882	100.0
110.03235	1.8
113.06001	10.4
116.07156	1.4
116.98647	3.8
123.04427	2.0
127.03934	9.2
131.07036	11.1
140.07112	3.2
141.05469	96.6
142.05852	2.2
144.95837	1.5
145.04950	11.5
147.04422	1.2
158.08121	5.5
161.04651	1.1
177.00743	2.6
177.05450	2.1
180.08722	3.0
183.55769	2.5
192.77722	1.2
207.06598	1.9
211.02841	1.4
216.97887	1.3
219.01671	1.6
221.09221	1.2
229.03870	4.5
234.99022	3.8
237.02681	2.3
247.04808	1.9
261.00531	3.0
276.00330	1.2
276.99948	1.5
303.01309	1.4
320.13870	2.7
321.11572	1.9
334.19815	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	320.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.05514	21.9
57.03429	10.6
62.83722	3.3
67.05508	18.8
67.16412	2.9
69.03411	4.2
69.07053	11.4
79.05481	21.5
81.02962	5.3
81.03419	80.5
81.03895	5.5
81.07065	30.0
83.04985	18.7
83.08624	28.3
85.02899	13.5
91.05482	29.7
93.07047	19.6
95.04989	24.2
95.08614	11.5
97.02847	5.1
97.10178	5.8
99.89758	3.0
104.30753	3.1
105.07005	21.3
107.04965	5.0
107.08604	9.1
109.06510	5.4
109.10146	5.2
109.85296	3.5
111.04435	3.5
111.08074	15.5
119.08596	21.1
121.06564	3.3
121.10111	10.8
123.11707	6.4
129.06998	8.8
131.08546	11.1
133.10139	10.6
137.09654	5.0
142.07767	3.3
147.11673	17.1
149.09628	5.7
157.10097	18.4
165.12746	4.4
175.11220	22.6
190.63229	2.9
193.12239	87.7
211.07619	9.3
211.13293	100.0
212.13637	3.5
239.07089	7.1
250.22937	3.7
267.15921	25.1
285.16943	91.6
286.17297	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	321.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.33125	1.1
67.04827	0.9
67.05512	1.5
69.49549	1.1
72.21139	1.0
80.94865	2.5
81.07089	2.5
82.45012	1.0
83.08629	1.5
91.05463	1.3
93.86697	1.0
95.08628	2.2
98.23322	5.2
103.76819	1.0
104.99278	1.1
105.07040	1.3
107.08640	2.1
109.10155	3.1
121.10194	1.3
123.11783	1.5
132.04398	1.2
321.16745	100.0
322.17050	5.3
335.67944	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42701	1.1
53.03962	1.4
55.01872	6.3
55.05519	4.7
57.03444	8.1
57.91201	1.2
66.11906	1.1
67.05515	6.1
69.03426	6.4
69.07073	4.7
69.43188	2.4
69.43578	2.1
69.85815	1.1
70.39577	1.2
71.04999	2.3
78.78766	1.3
79.05495	20.8
81.03429	2.9
81.07059	30.6
83.01302	1.2
83.04982	2.3
85.02889	6.7
91.05476	10.1
93.07047	7.5
95.01328	10.7
95.04961	8.8
95.08606	4.6
97.02924	1.9
97.06532	14.8
98.23474	2.3
98.97584	1.9
103.11896	1.3
105.07048	5.0
107.04928	7.0
107.08609	2.8
109.02910	1.6
109.06530	21.3
109.10156	2.9
111.04423	2.9
111.08084	2.3
113.02376	3.8
116.98551	1.1
117.07015	4.5
119.04942	3.7
119.08595	10.5
121.02904	1.7
121.06526	4.3
123.04449	2.0
123.08081	2.5
125.02321	1.2
125.06008	3.9
129.07008	2.0
131.08600	3.2
133.06551	2.0
135.04451	2.3
135.08076	5.6
137.05960	5.9
137.09659	2.3
139.03905	8.1
139.07539	1.8
141.01848	3.3
141.05498	1.4
145.06511	2.2
147.08015	8.3
149.05974	2.7
151.07603	2.0
155.07036	4.6
159.02950	2.0
161.05974	2.2
163.07542	9.7
164.07045	1.9
165.09113	19.1
167.07074	2.1
173.04459	1.1
173.06053	1.5
173.11737	2.4
175.07591	3.3
176.10672	1.3
177.05402	1.6
179.07008	1.5
181.08646	6.5
183.10213	4.2
189.05638	1.2
191.07045	4.1
192.06480	2.3
193.08611	19.9
197.04495	5.1
199.09637	13.5
208.55446	1.1
209.08110	8.5
211.09662	11.1
220.13345	4.0
223.09962	1.2
227.09135	8.9
237.07625	6.6
241.10643	1.4
248.12903	5.2
255.08636	100.0
256.09045	3.5
258.99939	1.6
269.10312	3.6
273.09570	6.2
277.00803	2.8
287.11102	2.5
304.11923	4.7
322.09824	1.6
322.13074	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	323.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34588	0.8
51.51073	0.8
52.86873	0.9
56.96571	5.8
57.24794	0.9
59.43119	0.9
60.86376	0.8
70.00809	1.7
70.01172	2.1
90.35056	0.8
98.97581	100.0
113.03707	0.9
116.98620	38.5
118.60573	1.1
119.02055	0.9
122.54700	1.1
125.68607	0.9
134.99669	8.8
180.97835	8.4
192.19612	0.9
198.98941	8.7
219.02000	1.8
220.02151	1.6
240.98642	4.3
258.99759	60.6
260.00043	4.5
277.00800	67.6
278.00958	3.4
322.99051	2.5
341.00046	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23067	1.3
51.23485	1.2
57.03448	2.5
61.02933	5.1
69.03432	10.6
73.02911	1.9
74.30415	1.3
75.46425	1.2
81.03424	4.3
81.07040	2.8
84.08141	26.7
85.02909	17.2
87.04497	2.2
91.03986	1.7
97.02899	5.3
98.97616	1.8
99.04453	1.7
107.04961	1.4
108.08156	2.9
109.02902	2.2
110.06062	1.7
113.48396	1.5
116.05034	1.7
120.08105	1.8
124.07628	2.7
125.06057	1.7
126.31641	1.4
127.03932	2.0
127.07584	3.7
128.20744	1.4
136.07570	18.1
142.08684	2.1
143.01057	3.0
145.05000	2.4
145.08630	3.5
151.03958	2.4
153.51270	1.6
161.02098	43.7
161.07167	2.4
162.05502	55.4
164.07199	12.2
177.05412	1.7
179.03452	1.7
185.04219	66.1
203.05264	18.1
220.10738	2.7
241.13397	2.2
259.14383	2.9
269.12830	7.5
286.30429	1.4
287.13962	6.8
305.11670	2.0
305.14844	14.4
323.07352	100.0
323.11127	51.9
323.16190	6.2
324.07602	2.5
324.10651	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
57.03426	2.4
57.54953	1.1
61.02929	3.8
61.54668	1.0
65.02980	1.0
69.03429	8.9
71.05000	1.6
71.25729	1.0
72.08194	1.0
73.02927	1.8
84.08156	1.8
85.02905	18.3
87.04497	1.8
88.03978	2.2
97.02911	6.6
99.04407	1.7
99.10419	1.1
109.02890	2.2
125.64613	1.1
127.03899	2.5
127.07600	1.3
136.07555	2.2
143.01003	1.5
145.05011	1.5
145.15570	1.0
147.04385	1.3
149.40787	1.1
161.02101	44.3
162.05522	7.3
164.07321	1.4
179.03210	1.1
185.04218	67.7
203.05254	17.3
205.04958	1.2
262.11151	1.8
263.10281	1.3
305.14871	1.9
323.07324	100.0
323.11063	74.6
323.15549	2.1
324.10599	95.7
341.76514	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	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
55.63058	0.4
67.05489	0.7
69.07055	0.6
70.64205	0.6
71.04997	0.7
77.03905	0.7
79.05481	2.6
80.04991	0.5
81.05810	2.1
81.07044	2.7
91.05485	0.9
93.07044	1.0
94.06582	0.9
95.04957	0.8
95.08602	0.9
96.08131	10.5
97.08437	0.5
98.97579	1.0
104.36011	0.4
105.07070	0.6
106.06534	1.9
122.05984	1.1
124.07587	33.5
125.07913	0.9
136.07571	60.7
137.07899	1.4
138.09120	2.1
140.07007	1.4
164.07060	100.0
165.07420	3.7
182.08124	84.5
183.08496	2.8
192.65001	0.4
210.13448	0.5
258.99747	0.9
277.01105	0.5
278.41052	0.5
288.12207	0.5
305.15079	2.2
306.12988	0.6
315.45087	0.4
323.15878	1.9
324.10974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
54.54926	2.3
55.01873	13.6
55.05257	3.8
55.05512	64.8
57.03437	50.6
57.93068	2.8
59.05007	3.0
65.87559	2.8
67.05153	3.9
67.05499	46.2
69.03427	4.8
69.07063	15.2
71.04982	5.6
79.05491	59.4
80.40025	2.4
81.03407	4.9
81.07056	98.6
83.04978	8.5
83.08263	2.3
83.08627	24.7
85.06535	8.3
91.05479	41.9
93.07045	35.9
95.04984	21.6
95.08585	25.6
97.06527	6.0
97.10162	47.5
98.97585	23.5
99.08102	11.9
105.07024	29.6
107.04946	34.6
107.08589	38.2
109.06510	32.0
109.10136	10.8
111.08064	7.9
115.05438	6.1
116.98628	12.0
117.07014	27.1
119.08574	58.9
121.06501	23.3
121.10129	12.3
123.08076	23.1
125.09625	52.3
128.06224	3.4
129.07013	12.1
131.08563	23.8
133.06483	6.0
133.10101	9.8
134.99644	4.5
135.08064	27.0
135.11676	4.2
137.09601	6.9
141.07001	3.0
143.08549	11.4
145.06445	4.1
145.10136	20.9
145.36533	2.6
147.08034	32.1
147.11694	4.7
149.09628	7.7
153.09119	11.9
155.08582	4.0
157.10115	15.9
157.12135	3.3
159.08067	6.2
159.11685	10.0
161.09624	10.9
163.11142	11.1
165.09087	3.6
171.10207	3.2
171.11664	4.3
173.13263	7.3
175.11278	3.5
175.83250	2.9
180.97758	3.3
181.12196	2.9
183.11659	3.2
185.09717	2.5
185.13307	3.5
187.11153	2.9
191.14273	2.7
196.09769	2.6
198.98926	3.9
199.11154	3.0
201.12724	7.9
203.12741	37.8
211.88982	2.5
213.12695	3.1
217.15822	3.6
219.13814	17.8
227.17934	6.0
235.16895	5.7
237.14677	3.7
237.16731	2.9
245.18904	4.5
255.17464	9.8
258.99719	16.6
263.16486	2.9
273.18488	76.1
277.00815	19.2
277.21579	5.4
278.00977	3.9
291.19556	31.6
305.21088	100.0
306.21429	6.5
323.22092	5.0
324.28870	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	323.2583
Annotation	8-HETrE
Peak:m/z	Relative Intensity
55.01883	7.1
55.05513	51.6
56.03025	3.5
56.96583	4.1
57.03441	4.7
57.07085	11.4
59.05004	3.7
67.05514	45.6
69.03441	8.8
69.07078	83.6
71.05010	6.6
71.08645	4.4
71.44443	4.5
73.06558	4.9
79.05510	18.1
81.07070	90.6
83.04983	8.5
83.08629	13.9
85.06567	15.0
91.05495	11.0
93.07056	49.7
95.04984	6.7
95.08617	100.0
96.48096	3.6
97.06541	16.3
97.10174	59.6
98.97586	34.2
99.08089	5.9
101.05991	4.4
104.58788	3.3
104.94378	3.7
105.07050	14.9
107.08606	49.3
109.06511	3.9
109.10160	39.7
111.08092	31.7
111.11740	24.7
115.11208	5.0
116.98633	12.0
119.08605	12.6
121.10156	42.3
123.08078	6.2
123.11729	51.3
125.09592	8.2
133.10204	9.4
134.99689	6.7
135.11720	24.4
137.09637	5.5
137.13260	7.1
139.11192	50.9
143.10712	6.0
147.11710	11.2
149.02290	4.2
149.13275	38.7
151.11203	11.5
153.12770	11.7
157.10275	4.2
157.12265	40.9
161.13281	5.9
163.14879	5.6
164.92117	5.6
180.97945	6.4
189.03952	4.9
198.98796	5.2
203.12830	15.3
225.14999	6.4
231.21538	15.3
258.99838	20.8
259.24231	5.2
277.00839	35.4
277.25250	10.4
287.23752	5.9
305.24725	59.7
323.14777	33.4
323.18164	6.4
323.26019	94.2
334.21628	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	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03937	1.2
55.05511	32.1
55.05779	1.6
57.03432	3.0
57.07080	7.5
57.89756	1.1
58.59890	0.9
59.05004	2.3
60.01145	1.0
65.03937	1.1
67.05500	32.8
69.03427	4.2
69.07065	61.8
69.17817	5.9
70.07382	1.1
71.04987	3.2
71.08609	1.5
73.06552	2.7
79.05486	11.5
81.07053	78.1
83.04980	4.5
83.08619	9.5
85.06517	5.0
87.04381	1.2
88.13620	1.1
91.05476	5.5
93.07041	32.1
95.04972	3.2
95.08604	100.0
96.08898	2.0
97.06540	10.2
97.10164	46.3
98.97570	11.9
99.08087	3.7
101.06013	2.0
105.07021	9.2
107.08585	31.8
109.06521	4.1
109.10158	21.0
111.08068	5.5
111.10987	1.7
111.11707	15.5
115.11215	2.5
116.04425	1.1
116.98619	4.8
119.08591	6.6
121.10144	24.8
123.08072	2.9
123.11703	48.6
125.09602	2.5
133.10118	7.3
134.99661	3.1
135.10742	2.2
135.11693	19.3
137.09625	2.5
137.13258	7.9
139.11169	43.4
140.11571	1.3
145.10109	1.4
147.11676	5.7
149.13257	26.2
151.11169	3.6
153.12726	11.4
157.10945	1.8
157.12231	36.8
158.12611	1.3
161.09535	1.3
161.13248	3.5
163.14815	4.4
164.92122	1.4
165.12759	2.4
167.14293	1.5
171.13792	2.6
175.14780	2.3
177.12791	1.5
177.16423	1.6
180.97897	2.6
187.13358	1.7
189.16385	2.0
198.98860	2.4
203.12804	7.7
203.17972	1.9
205.15729	1.1
207.17435	1.6
209.42343	1.2
235.16927	1.3
249.18471	2.2
258.99771	7.8
259.24170	2.1
277.00824	10.0
277.25409	7.3
278.00998	1.2
287.23630	4.3
305.24734	40.9
306.25116	2.2
323.25763	22.9
324.25668	1.4
338.23886	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	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	4.8
55.05509	52.0
57.07079	85.7
59.05004	4.8
62.06100	6.8
67.05506	24.8
69.07073	100.0
69.66869	17.4
71.08636	72.2
79.05489	10.0
81.07056	80.0
83.08622	69.1
85.06567	8.2
85.10188	42.4
91.05483	12.9
93.07040	25.2
95.08614	77.1
97.06556	11.6
97.10184	53.3
98.23451	8.9
98.97633	12.4
99.11779	5.3
105.07044	20.4
107.08598	23.5
109.10138	42.7
111.08116	11.3
111.11735	30.7
115.07590	13.0
116.98618	8.3
119.08615	30.2
119.93566	4.3
121.10154	18.9
123.08096	10.0
123.11713	23.9
125.09637	5.7
125.13291	9.7
129.09102	6.6
133.10130	26.8
135.11725	16.5
137.09647	6.9
137.13272	13.2
139.11171	6.4
139.14874	7.5
143.10655	6.9
147.11708	18.0
149.13295	10.1
151.11192	14.3
153.12782	7.2
155.10687	6.3
157.12263	5.8
161.13293	21.8
163.14815	5.8
165.12752	27.1
169.12236	12.7
175.14766	8.7
179.14337	28.2
183.13911	7.2
191.17929	5.3
193.15924	14.2
193.19603	5.8
197.15332	9.0
203.17897	6.5
231.21275	6.2
235.20746	6.7
246.45523	4.9
258.99588	5.2
263.27350	15.2
277.00809	13.2
277.04031	4.2
287.27338	12.9
305.28516	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	324.1057
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
51.95037	0.4
59.62855	0.4
61.30671	0.4
69.85948	0.8
69.86305	0.9
76.87169	0.4
85.02921	0.6
85.06562	0.7
98.23001	1.3
105.48062	0.4
127.07583	1.8
135.51961	0.4
145.08578	1.0
151.23964	0.4
162.05458	2.2
179.03409	0.7
247.49345	0.4
324.10580	100.0
325.10873	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	324.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46976	0.6
57.03420	0.7
69.03420	1.7
71.10629	0.7
78.01568	0.6
79.05508	0.6
81.07063	1.3
84.08136	0.9
85.02899	3.5
85.06545	0.9
85.08463	0.6
87.04501	0.6
97.02889	1.5
99.08081	1.3
100.10632	0.5
109.02802	0.8
109.06523	1.0
115.52953	0.6
116.04980	0.6
116.09826	0.6
125.62164	0.5
127.03950	1.2
127.07534	3.5
136.07593	2.0
137.07907	1.2
145.08597	4.7
161.02106	1.6
162.02625	1.8
162.05502	74.1
163.03903	1.1
163.05894	2.1
164.07285	0.7
173.03004	0.6
179.03450	1.9
185.04286	2.2
186.04625	2.0
203.05147	1.2
204.05586	0.9
256.09778	0.6
260.14676	1.0
270.13107	0.9
284.11719	0.6
288.14215	0.6
306.15265	2.5
324.10590	100.0
325.10999	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	324.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79984	0.7
51.64864	0.7
53.03942	1.0
55.01871	0.8
55.05515	1.1
55.08169	0.7
56.05025	0.9
57.03439	2.4
59.05008	2.0
61.02929	2.7
65.57021	0.8
67.05514	2.0
69.03432	7.8
69.07067	2.1
69.29499	4.5
71.04999	2.9
71.08630	3.2
79.05499	3.0
81.03426	2.8
81.07063	21.6
83.08624	1.8
85.02911	26.3
85.06542	10.5
86.03246	0.8
87.04478	1.0
91.03961	1.2
95.05005	0.8
97.02911	5.1
97.06537	2.6
98.23056	3.6
99.04472	1.0
99.05598	1.0
99.08099	9.4
109.02866	2.0
109.06523	24.6
111.05568	3.0
115.07573	7.0
122.09656	1.4
125.07149	1.3
127.03917	4.9
127.07558	53.0
128.07864	1.6
129.05518	0.8
133.02751	1.0
135.04379	2.3
139.05043	3.0
145.04967	8.9
145.08606	100.0
146.08929	1.9
150.09120	1.0
151.03882	1.0
163.03955	4.0
163.06065	1.9
167.11887	1.5
179.03369	4.4
179.04829	0.8
191.08179	4.3
195.11293	5.1
233.09113	1.0
283.13297	2.5
301.14417	2.0
307.13275	2.4
324.10370	10.8
324.15652	5.3
325.14246	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	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14263	4.3
67.05497	5.0
69.03423	11.8
69.07093	6.0
71.04997	39.1
72.08177	5.3
74.96616	3.8
82.06307	4.0
83.35829	3.6
85.02900	20.2
88.90809	4.1
89.02422	5.9
91.05427	3.8
95.04948	6.6
97.02892	12.0
98.97601	4.4
103.27801	4.2
106.79507	3.9
113.06017	51.5
123.05560	12.1
124.05032	4.4
124.05864	4.8
127.03900	15.1
127.07507	6.4
130.05084	4.0
131.07048	100.0
145.05051	7.5
162.05547	8.2
245.18304	4.2
325.08932	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
54.81513	0.3
55.01866	0.8
55.05512	1.7
56.61632	0.4
57.05805	0.4
60.57860	0.4
67.05511	3.2
69.07071	10.1
69.07449	0.6
69.17221	1.3
69.17642	0.9
70.83702	0.4
74.02414	0.4
79.05067	0.6
79.05486	3.4
81.07055	7.3
81.07498	0.5
83.04985	3.5
86.09708	100.0
87.09578	0.4
87.10060	1.6
91.05476	9.6
93.07044	12.0
95.04970	2.6
95.08620	2.2
97.06532	0.6
98.97591	1.4
103.39725	0.4
105.07033	13.0
107.04991	0.5
107.08583	2.9
108.06391	0.4
109.06518	8.5
109.10149	1.1
111.08086	3.3
116.98653	0.8
117.07022	0.9
119.08589	4.4
121.06512	0.7
121.10157	1.1
123.08093	0.6
123.11729	0.7
128.10709	4.3
129.07008	0.8
130.08586	0.4
131.08553	3.7
132.10205	29.6
133.06467	1.3
133.10124	17.8
134.10463	0.6
140.43948	0.4
147.08087	0.4
147.11694	12.1
149.09633	1.4
149.13249	1.1
151.07585	3.2
151.11182	41.0
151.72594	0.3
152.11568	0.8
156.10165	0.9
157.10210	0.6
165.12746	2.2
167.14316	0.5
175.11189	4.1
192.13818	0.5
193.12253	3.7
210.14937	0.6
222.14944	0.7
260.00284	0.5
260.20081	6.0
261.20517	0.8
278.00876	0.4
278.21161	26.6
279.21539	1.9
306.20575	5.9
307.21045	0.6
324.21695	19.7
325.22031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17527	1.1
53.07423	1.2
56.96576	1.9
57.16748	1.3
78.66431	1.3
83.09869	1.3
85.02901	3.2
86.14822	1.4
91.74689	1.3
98.97590	3.3
116.98713	1.3
118.26707	1.2
127.03926	2.1
140.85088	1.4
147.27617	1.2
162.97940	100.0
163.98175	1.8
204.02496	1.4
237.02866	1.5
250.01030	1.3
332.19662	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	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01863	2.0
57.03422	2.2
59.04985	0.7
61.02921	0.9
69.03436	15.1
70.88546	0.7
71.01369	0.6
71.04996	4.9
81.03419	15.5
81.25408	0.5
84.99171	0.5
99.04462	6.0
117.05463	1.6
118.06538	4.3
145.07626	5.4
147.09164	7.1
162.07886	1.2
163.08669	1.8
173.07126	11.4
174.07413	0.7
175.08665	6.6
191.08160	100.0
192.08527	4.3
205.09810	0.8
233.09253	0.9
254.96330	0.5
273.65802	0.6
289.11740	1.1
293.75580	0.6
307.12897	28.4
308.13220	1.1
325.13947	24.9
326.14218	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	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
57.03439	5.1
61.02930	2.8
62.49533	0.7
67.05459	0.6
69.03127	0.7
69.03427	8.5
69.51249	2.8
71.01334	1.6
71.04974	2.5
73.02906	1.5
75.04456	0.8
81.03380	1.7
85.02909	1.5
95.71970	0.6
99.04438	2.7
109.10173	0.7
117.05453	0.6
118.06507	1.6
128.11467	0.7
131.05997	0.8
132.06790	1.0
145.07607	7.5
146.08333	1.5
147.09163	94.3
148.09523	3.0
159.09186	2.8
161.10719	0.7
162.02658	0.6
163.03854	0.8
173.07137	2.0
174.58070	0.6
180.03647	1.0
185.10776	0.8
187.08662	1.1
189.10283	0.7
191.08144	100.0
192.08513	3.0
201.64272	0.5
213.10121	0.8
219.11305	0.6
263.14038	2.8
280.13080	0.6
281.14941	44.7
282.15308	1.7
289.11844	1.1
306.44162	0.5
307.12827	8.1
308.13208	0.7
325.10928	6.0
325.13950	90.0
326.14291	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
57.03433	1.7
59.05010	3.0
61.02924	8.5
63.98195	1.4
67.05509	16.7
69.03433	5.8
71.01368	7.6
71.04995	28.6
71.08279	2.6
73.02948	1.6
85.02895	11.6
85.06545	100.0
85.96779	1.8
86.06912	1.9
89.02403	4.0
94.67274	1.5
95.04971	7.0
97.02904	3.7
98.97590	1.8
103.03950	31.6
113.06002	11.0
125.36324	1.5
127.03972	4.4
127.07555	88.2
128.07895	2.5
129.66629	1.4
130.04764	1.5
131.07048	11.0
145.04906	2.9
145.08603	36.8
163.09663	40.7
165.99892	1.6
171.75247	1.3
244.35852	1.8
249.59213	1.5
325.04779	2.0
331.83490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
57.03437	1.6
59.04989	1.5
61.02930	10.0
67.05508	14.4
69.03429	2.1
69.89774	3.1
71.01357	7.3
71.04998	25.6
83.95405	1.3
84.04256	1.4
85.02905	9.8
85.06546	100.0
86.06906	1.4
89.02338	3.3
95.04966	6.2
96.86682	1.4
97.02911	2.5
103.03944	31.2
105.04473	1.2
113.06013	9.9
127.03920	4.2
127.07563	96.5
128.07883	4.5
131.07050	9.3
145.05019	2.4
145.08603	36.5
150.05518	2.2
163.03947	1.8
163.08379	2.6
163.09674	40.2
164.09912	1.3
212.61691	1.2
215.10806	1.3
231.63103	1.5
325.04733	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	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
59.04193	0.4
65.30122	0.4
69.03406	0.5
69.07051	0.6
69.22701	2.1
81.07042	0.5
122.38881	0.4
133.15244	0.4
163.03932	0.6
181.86845	0.4
206.91910	0.4
232.49367	0.4
273.84589	0.5
295.44363	0.4
325.16196	100.0
326.16547	5.0
348.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
54.65445	1.3
55.05512	12.4
57.07071	3.2
67.05506	9.5
69.03433	2.8
69.07070	15.5
69.59819	4.4
71.04983	2.9
71.08630	19.4
79.05500	7.8
81.07053	22.1
83.04992	2.2
83.08626	3.0
85.06532	2.5
91.05486	4.9
93.07046	14.0
95.04990	6.8
95.08611	12.7
97.06518	3.8
97.10180	2.0
99.08089	15.0
105.07027	8.1
107.08580	8.4
109.05845	2.0
109.06522	22.9
109.10153	3.0
111.08088	2.0
117.07130	1.2
119.08603	7.6
121.06486	5.7
121.10144	4.9
121.84659	1.1
123.08055	3.3
123.11672	1.9
131.08588	4.6
131.52547	1.2
133.10098	2.4
135.08043	2.5
135.11719	2.5
139.11179	6.0
141.09029	1.6
145.10081	2.8
147.11670	1.7
149.09615	2.0
159.11697	1.5
161.13177	1.7
163.11205	3.4
165.12752	43.1
171.11783	1.2
173.13307	2.8
177.12715	5.0
179.14334	2.9
181.15826	11.6
187.14743	1.6
191.14322	2.4
201.12759	1.3
251.16473	3.4
251.23650	2.1
261.22159	15.5
271.20505	2.8
279.23117	7.1
289.21634	39.5
290.21951	2.9
307.22672	100.0
308.22906	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	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76040	0.4
56.96571	0.8
98.23457	0.6
98.97577	5.9
98.98470	49.4
101.00901	2.6
102.96855	1.3
105.38586	0.5
116.98634	2.7
116.99380	0.7
119.01929	5.5
120.97907	0.6
134.99695	1.0
137.02893	0.6
141.96048	0.5
158.99902	1.2
174.99214	7.7
175.02902	0.7
177.00957	9.6
178.01045	2.6
182.99944	0.7
201.00963	2.9
214.95634	0.6
216.98820	0.9
217.04129	3.2
217.99075	3.3
218.04097	0.6
218.98636	1.2
219.02003	20.2
220.02145	6.1
221.01772	1.1
223.97810	0.8
225.00926	1.7
226.01062	0.8
234.99947	0.9
236.00114	4.4
236.99745	2.5
241.99016	5.0
242.98822	2.0
243.02016	12.6
243.04402	0.7
244.02090	3.7
251.00032	1.7
254.00897	0.5
258.99948	2.3
260.00107	16.0
260.99951	6.8
261.03043	100.0
262.00244	1.6
262.03177	25.4
262.98947	1.0
263.03043	3.9
265.99203	1.5
274.97574	1.0
277.00867	2.0
278.01190	7.5
279.00745	3.7
280.00980	1.5
281.00137	1.1
282.99854	2.2
284.00104	40.4
284.04538	2.3
284.99814	19.1
285.03314	0.8
285.04752	1.1
286.04553	0.7
301.00970	2.7
302.01169	52.3
302.97333	1.1
303.00821	20.9
303.04776	4.2
303.05426	4.1
304.05222	1.3
316.98517	0.7
320.02271	1.9
321.01874	1.2
325.02725	0.8
326.01248	4.5
326.05200	0.7
327.00986	1.9
328.19907	0.5
344.02274	19.7
345.01935	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	327.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.3
59.36793	1.1
60.47124	1.1
69.03425	4.5
69.34490	6.1
71.01338	1.6
71.04996	21.0
79.25388	1.1
85.00148	1.2
85.02911	7.7
87.04504	1.5
89.02406	9.2
91.03944	1.3
95.04967	2.6
97.02888	3.4
97.11746	1.2
98.23505	1.2
98.97630	4.9
98.98470	100.0
110.97568	2.8
113.06007	24.4
116.98692	1.2
116.99496	1.7
127.03923	2.0
128.98592	1.5
131.07050	19.8
142.75038	1.1
143.00137	1.3
145.05000	1.8
149.08087	22.3
153.01891	2.0
164.97777	1.8
165.03116	1.9
166.07263	1.2
170.99655	1.7
174.99242	14.4
192.15941	1.3
199.92778	1.3
201.00510	1.3
219.01767	4.0
233.98032	1.3
237.02939	2.7
237.05237	7.3
246.05687	8.5
251.00000	2.5
261.44775	1.2
268.39774	1.2
327.04758	36.9
329.05554	1.4
347.72455	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	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.9
51.02382	0.9
53.03942	1.9
55.01867	1.3
55.05510	4.6
57.03439	0.9
57.07077	2.9
59.05005	0.8
62.07402	0.6
65.03922	1.0
67.05502	8.4
69.07069	4.6
71.05003	1.2
71.45528	0.7
77.01608	0.7
77.03920	3.0
79.05494	7.7
81.03420	1.8
81.07059	10.6
82.07368	0.7
83.04994	0.7
83.08606	1.9
85.06545	1.2
91.04882	0.6
91.05479	14.2
93.07044	25.7
93.97909	0.6
95.04968	35.3
95.08607	18.4
96.05322	0.8
97.06538	6.5
98.98466	100.0
103.05481	1.0
105.04509	5.4
105.07024	20.8
105.07738	1.2
107.04974	1.0
107.08591	12.4
109.06499	3.3
109.10159	8.2
115.05448	0.7
116.99522	2.2
117.07042	4.8
117.19064	0.6
119.08584	21.3
121.06498	5.3
121.10143	10.8
123.08075	4.2
123.11717	4.0
128.06221	1.5
129.07011	2.6
130.07816	1.2
131.08565	9.8
133.06441	0.9
133.10133	15.1
135.08049	5.4
135.11707	4.9
137.09608	2.4
140.01007	1.2
141.07005	1.0
142.07787	2.6
143.08560	5.8
144.09290	1.3
145.06526	1.1
145.10126	13.6
147.08025	1.2
147.11705	4.7
149.09625	1.9
149.13289	1.6
152.06209	11.7
153.06992	10.3
154.07719	0.7
155.08595	2.0
156.09341	2.1
157.10127	10.9
159.08067	2.5
159.11690	13.2
160.12029	0.7
161.09604	5.0
161.13272	2.4
162.09930	0.7
163.11150	0.9
163.14813	1.2
165.07013	0.8
168.05688	3.5
169.06482	1.0
169.10117	4.7
170.10907	1.1
171.08130	0.7
171.11668	4.9
172.12543	1.1
173.09627	1.2
173.13274	7.0
174.14142	0.7
174.99214	14.8
175.01534	1.0
175.14809	9.0
179.08662	0.8
181.10109	1.1
183.11697	3.4
184.12340	0.8
185.13301	2.7
187.11217	4.1
187.14819	7.2
189.16386	2.0
193.10155	0.9
195.11752	1.3
197.13274	3.5
199.11122	0.6
199.14821	4.1
201.12711	0.6
201.16400	1.9
203.14255	0.7
205.15875	1.0
207.11713	1.0
209.13242	3.6
211.11093	0.6
211.14734	3.8
213.16330	1.7
215.02519	2.2
215.14342	1.9
217.15916	2.1
221.13222	1.0
223.14833	1.8
225.12924	0.6
225.16388	1.3
227.08589	0.8
227.14273	1.1
228.09299	3.8
229.10007	1.3
229.15909	1.5
232.96500	0.7
233.03625	11.7
235.14796	2.3
237.16373	0.7
239.17924	1.9
241.19763	0.6
243.17522	0.8
249.16505	0.6
249.65942	0.7
250.99950	3.0
251.04753	5.3
253.15887	2.1
261.40247	0.6
281.22632	1.2
291.20966	1.9
309.22168	3.0
327.07788	46.8
327.23071	6.2
327.26480	0.9
327.34195	0.7
328.08261	4.3
328.35703	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
54.58553	0.7
55.01859	1.1
55.05517	3.3
55.87815	0.7
57.03445	0.9
57.07063	1.9
58.06591	0.8
60.67672	0.7
64.77291	0.6
67.05495	7.3
69.03419	0.9
69.07065	5.9
70.69372	0.6
71.05024	0.8
74.76847	0.5
77.03920	0.6
79.05492	5.4
81.03421	0.6
81.07055	7.9
83.08625	1.4
85.06522	1.2
88.62704	0.6
89.06027	0.8
91.05486	7.0
93.07043	19.1
95.04965	18.2
95.08601	11.2
97.06507	4.6
98.23438	1.7
98.98465	100.0
105.07027	12.0
107.08596	10.0
109.06500	2.5
109.10136	5.9
111.15640	0.6
115.05443	1.0
116.99500	2.2
117.07027	4.3
119.08575	13.6
121.06512	4.6
121.10152	7.9
123.08061	2.0
123.11700	2.1
125.09605	0.9
129.07013	1.6
130.07764	1.1
131.08571	6.8
133.10121	11.6
135.08049	2.7
135.11691	3.5
137.09619	1.6
140.01053	1.1
142.07771	2.0
143.08549	4.3
144.09361	2.5
145.10103	9.9
147.11671	3.6
149.09657	1.4
149.13243	1.4
151.11198	0.8
152.06248	0.7
155.08598	1.7
156.09332	1.7
157.10135	7.8
158.10901	1.0
159.08067	1.7
159.11685	9.6
161.09608	3.7
161.13362	1.5
167.08612	1.2
169.10112	2.4
170.10907	1.0
171.11707	3.4
173.09622	1.0
173.13243	3.8
174.99229	14.1
175.11118	1.1
175.14810	4.9
178.47917	0.6
178.97232	0.7
181.10118	1.3
183.11765	3.1
185.13239	2.7
187.11266	1.0
187.14810	4.2
193.10162	0.8
195.11664	1.2
197.13310	2.4
199.14867	2.5
201.16389	1.2
207.11703	0.8
209.13287	1.8
211.14894	1.8
217.15735	1.6
221.13199	0.8
223.14725	0.9
225.16350	1.5
227.14510	0.8
235.14784	1.2
239.18028	0.8
247.87622	0.7
249.16302	0.8
251.00063	2.1
251.04688	0.9
253.15775	1.2
265.19626	0.9
309.22156	1.6
310.37424	0.7
326.34100	2.1
327.07938	2.2
327.19644	0.6
327.23135	3.6
327.34363	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	328.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.49938	0.3
57.03454	0.3
61.02932	0.7
67.05521	0.3
68.60659	0.3
69.03430	1.3
70.71867	0.4
71.04993	0.3
73.02929	0.4
77.01614	0.3
77.03924	0.3
79.05507	1.9
80.05019	1.0
81.03452	0.4
81.07076	0.6
85.02925	1.6
91.05491	2.0
91.33644	0.2
92.05003	0.3
93.07056	2.7
95.04978	0.8
95.08582	0.3
97.02887	0.7
98.98480	37.9
103.05474	4.8
105.04562	0.3
105.05792	0.7
105.07007	0.3
106.06606	0.3
109.02876	0.6
116.99508	0.6
118.06557	0.7
119.07324	0.7
120.08118	11.8
120.27103	0.3
121.10225	0.5
125.05983	0.7
127.03944	0.9
130.06544	3.4
133.05222	0.4
142.12291	0.3
148.07585	100.0
149.07967	3.1
166.08640	5.6
167.03424	0.4
167.06889	0.4
167.08961	0.3
174.99265	3.6
176.98944	1.5
217.00842	0.3
251.00261	0.3
252.99776	0.6
328.14154	0.4
341.46661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
67.05496	4.7
69.07077	2.6
71.04984	0.7
71.42573	0.6
79.05482	3.4
81.07066	6.3
83.05006	0.7
83.08624	1.1
85.06586	0.7
87.92784	0.6
91.05478	2.1
93.07049	4.7
95.04959	0.8
95.08620	2.8
97.06519	1.2
98.55351	0.5
98.98474	100.0
100.98882	1.0
104.99262	1.7
105.07034	2.1
107.08588	2.1
109.06524	0.9
109.10171	1.3
116.99524	2.4
117.47943	0.6
119.08598	1.6
121.10154	1.9
125.55901	0.6
127.05782	0.7
131.08574	1.3
133.10164	2.3
135.11685	2.7
137.09663	0.6
145.10147	1.0
147.11708	1.8
149.13248	1.4
159.11716	1.3
174.59825	0.5
174.99229	11.0
175.99609	1.0
176.98947	4.1
181.12291	2.5
187.04239	0.5
195.13783	1.2
206.03780	0.6
232.96503	1.2
239.17714	0.8
247.00459	1.2
249.18642	0.6
250.99924	0.7
252.99841	0.6
275.20044	3.2
311.20514	0.7
328.28366	0.7
328.32007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75214	2.2
55.01855	4.0
55.05512	64.9
67.05510	20.1
69.03434	8.3
69.07070	26.5
69.95453	6.2
70.07861	2.1
70.86037	2.0
79.05499	30.4
81.07051	20.5
83.04980	3.8
83.08625	43.8
85.06551	3.4
85.60754	1.8
88.46474	2.1
91.05471	13.8
92.28669	1.9
93.07047	11.8
95.08624	7.0
97.10168	100.0
98.98470	75.0
105.07030	18.0
107.08593	90.8
109.06549	2.7
109.10171	3.8
111.08091	3.1
117.06998	2.3
119.06066	2.4
119.08602	7.9
125.09635	81.4
131.08594	3.6
133.10149	8.9
135.08051	9.4
135.11705	2.7
143.10712	3.6
145.10118	6.3
147.11690	7.9
149.09660	5.5
153.09077	4.0
159.11690	2.9
161.13261	3.1
163.11150	3.2
170.66046	1.8
171.10181	13.6
171.11478	2.6
172.94476	2.0
174.99292	6.2
176.99033	3.8
179.14325	2.2
181.12282	2.7
189.09482	4.2
189.11223	87.5
257.19067	6.6
275.17062	3.5
275.20056	70.9
276.20319	4.9
285.48007	2.3
293.21185	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05515	7.7
57.03421	2.8
57.07086	1.4
61.02900	0.8
67.05161	1.3
67.05504	19.1
69.03416	0.9
69.07070	16.1
69.93742	2.9
71.04998	2.4
79.05494	12.2
81.03405	2.1
81.07059	23.4
83.04974	2.5
83.08617	2.8
85.06540	1.9
91.05479	11.1
93.07047	10.6
95.04976	4.2
95.08611	11.1
97.06514	3.4
97.10165	1.6
98.09680	2.3
98.98468	100.0
99.08076	0.9
100.98878	1.3
104.99252	2.2
105.07039	9.5
107.04979	1.4
107.08601	9.1
109.06510	2.8
109.10125	4.1
111.08080	2.1
115.68873	0.8
116.99519	2.3
117.07028	2.1
119.08572	9.2
121.10140	4.2
123.08062	2.1
123.11688	2.4
129.07024	1.0
131.08609	4.9
133.10124	6.3
135.08035	1.3
135.11684	7.8
137.09618	2.1
145.10129	3.1
147.11678	6.2
149.09644	1.5
149.13234	2.8
157.10088	1.2
159.11708	3.3
161.13258	1.0
163.11179	1.4
172.94377	1.0
173.13257	2.0
174.99229	9.4
175.99582	1.0
176.98956	4.1
177.12727	1.3
177.46416	0.8
181.12247	6.9
190.95517	1.4
195.13785	4.9
207.13846	1.3
232.96393	1.6
247.00182	0.8
251.00005	1.0
252.99728	1.3
257.18854	1.3
275.19955	9.3
293.20941	2.4
310.23563	0.9
326.06641	0.8
328.18741	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.05519	3.5
57.03429	1.1
60.99790	0.5
67.05500	8.4
69.03429	1.0
69.07068	3.8
71.04990	0.9
79.05492	8.4
81.03397	1.0
81.07053	7.5
83.04972	1.5
83.08622	1.5
91.04988	0.7
91.05482	5.1
93.06507	1.0
93.07037	8.1
95.04943	2.5
95.08597	4.6
97.06537	1.1
97.10185	2.1
98.98464	100.0
100.98892	0.8
101.23109	0.5
104.99270	1.5
105.04575	0.5
105.07029	4.3
107.08606	4.9
109.06512	0.9
109.10159	5.1
111.08096	0.7
112.93761	0.4
116.99500	2.2
117.07030	1.3
119.08594	3.3
121.10137	3.5
123.07983	0.7
125.09634	1.2
131.08592	1.9
133.10147	3.5
135.07970	0.6
135.11687	1.9
137.09645	1.4
140.01109	1.1
145.10098	1.5
147.11687	1.6
149.09572	0.7
159.11736	0.9
161.13287	0.8
172.94283	0.7
173.11766	1.7
173.13229	1.2
174.99223	9.9
175.99518	1.0
176.98944	4.3
181.12248	0.6
189.11200	0.6
190.95367	0.7
195.13757	0.6
232.96410	0.8
235.16991	0.9
247.00584	0.6
250.97614	0.6
252.99730	1.6
257.18994	0.7
275.19974	3.7
293.21085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88229	2.6
55.01863	9.1
57.03436	12.3
61.02929	6.5
66.42648	2.4
68.99803	3.1
69.03419	7.6
69.71821	7.7
69.72169	5.1
72.85217	2.3
77.53951	2.6
79.05502	3.4
85.02901	29.2
86.62663	2.8
89.78884	2.8
91.05486	3.1
98.98470	29.7
103.03986	4.0
103.05492	4.7
107.04932	5.5
115.05464	6.2
117.82206	3.0
119.04925	12.0
123.24719	2.6
125.06070	4.5
131.04922	21.6
133.02864	27.9
137.02333	5.5
138.03102	8.6
145.02837	3.9
147.04417	20.0
149.06038	3.0
149.15546	3.4
150.03078	24.5
151.03896	16.0
153.05455	11.4
157.02817	5.0
159.04407	40.9
161.02332	3.8
161.05919	5.5
162.03119	9.2
163.03915	9.8
165.05499	11.3
166.02637	12.1
167.03349	6.1
171.04410	4.4
175.03935	22.0
176.04671	13.2
177.01820	57.0
177.05447	22.2
178.02615	15.0
179.03375	23.1
180.00529	6.5
181.04955	100.0
182.05272	4.3
185.02501	3.7
186.03249	3.1
187.03931	17.8
189.05490	5.1
190.02571	5.6
191.03377	54.0
191.07022	8.2
192.04076	6.3
193.01259	6.0
193.04955	34.8
194.02124	8.6
195.02884	39.0
195.06503	3.5
197.04442	39.6
199.03946	4.6
202.02592	7.8
203.03365	4.7
204.04149	13.8
205.04964	56.9
206.02115	9.0
207.02969	14.1
207.06523	14.2
209.04454	79.4
211.02280	8.0
214.02562	3.6
215.03323	16.3
216.04161	9.0
217.05006	11.1
218.01950	3.4
219.03064	14.8
219.06500	34.4
220.03766	4.5
221.04431	54.9
223.02345	17.8
223.06030	8.7
225.03932	3.7
229.05016	6.6
230.02177	6.1
232.03648	6.6
233.04414	68.1
235.06018	10.4
237.04016	7.7
243.02904	4.6
245.04483	16.6
247.05989	55.9
249.03957	7.1
251.05525	54.3
257.04431	9.7
263.05521	82.6
265.06882	5.6
267.51599	3.2
275.05521	57.8
281.06543	12.5
293.06561	35.5
311.07678	10.9
329.08566	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	329.0866
Annotation	BERGENIN
Peak:m/z	Relative Intensity
55.01865	6.6
57.03436	9.9
61.02912	5.9
68.72761	2.8
69.03429	9.1
69.50048	3.1
69.62240	11.6
71.01360	4.1
73.02892	3.2
77.03915	3.3
79.05498	5.5
85.02892	29.0
87.04568	2.6
91.05470	3.8
91.88448	2.8
97.02846	3.7
98.22694	3.8
98.98473	8.8
103.03952	8.1
103.05485	5.8
105.03401	3.0
107.04927	5.9
115.05402	2.9
118.04136	3.4
119.04964	11.0
121.02908	3.7
125.06004	8.1
131.04933	23.8
133.02863	31.1
135.04436	3.2
138.03111	11.2
145.02756	3.9
147.04395	16.4
149.02426	7.3
149.05939	4.9
150.03128	22.3
151.03941	18.9
152.01071	5.4
153.05476	12.8
155.04884	3.2
157.02875	3.9
159.04391	35.2
161.05992	6.4
162.03134	12.2
163.03897	14.7
164.04678	3.5
165.05461	10.5
166.02617	11.0
167.03395	3.8
171.04437	6.7
174.03102	2.6
175.03926	24.4
176.04643	18.0
177.01846	51.1
177.05417	16.1
178.02612	14.1
179.03400	24.2
180.00552	9.5
181.04951	100.0
185.02422	2.9
186.03041	4.7
187.03905	23.9
189.05496	5.7
190.02596	8.6
191.03380	51.4
191.07050	8.5
192.04027	5.6
193.01431	5.0
193.04962	37.9
194.02127	8.5
195.02901	41.4
195.06642	2.9
197.04434	45.8
199.03926	4.0
202.02603	6.9
203.03419	6.4
204.04137	17.1
205.04953	51.5
206.02063	10.6
207.02866	10.6
207.06534	10.6
209.04433	67.5
211.02461	4.2
215.03439	13.1
216.04234	8.1
217.04987	11.3
218.02104	3.8
219.03058	14.7
219.06534	31.1
220.03711	4.7
221.04465	52.7
221.07881	3.0
223.02402	17.0
223.06032	7.3
225.03915	3.3
229.04865	8.4
230.02080	4.5
232.03703	6.3
233.04433	60.3
235.06093	7.8
237.03801	5.9
243.02705	6.8
245.04376	20.2
247.06012	55.3
249.04041	4.7
251.05511	58.6
257.04431	8.2
263.05493	73.5
275.05450	51.5
275.08182	3.9
278.54211	2.9
281.06552	7.5
293.06561	26.0
311.07672	9.3
343.30826	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	329.087
Annotation	Bergenin
Peak:m/z	Relative Intensity
53.03942	1.4
53.08753	0.3
53.24810	0.3
53.47915	0.2
55.01882	0.4
55.05501	0.9
57.03435	0.7
61.02934	0.4
65.03943	3.4
68.02654	0.4
69.03435	6.5
70.51458	0.5
71.01379	0.3
71.04988	0.6
73.02917	0.4
79.01826	0.3
81.03424	13.9
83.04974	1.3
85.02910	4.5
93.03416	0.7
96.02113	0.7
97.02906	3.9
98.23135	0.4
98.98477	6.3
99.04453	1.0
107.01306	1.2
109.02892	6.9
111.04456	0.9
123.04482	0.3
124.01590	0.3
125.02338	0.9
126.03143	4.8
127.03928	2.1
135.00795	0.5
139.03908	1.4
141.05469	3.3
145.04990	0.6
152.01065	2.1
157.04980	9.4
167.03406	100.0
168.03763	2.6
174.99254	0.4
185.04468	4.3
205.05016	0.3
251.05573	0.3
266.45770	0.3
269.06824	0.4
311.07632	10.6
315.95514	0.3
329.08560	1.2
341.02887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.09
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06060	0.5
53.03939	1.9
55.01867	0.9
55.05503	1.2
57.03428	0.7
61.02914	1.0
65.03951	3.4
66.04269	1.2
66.28767	0.6
68.02609	0.6
69.03424	8.7
69.20988	3.5
70.03768	2.6
71.01348	0.7
71.04963	0.7
72.05310	0.7
81.02962	1.1
81.03415	17.0
82.03745	7.7
83.04966	1.0
84.05302	0.8
85.02901	6.2
86.03220	1.9
90.93009	0.6
93.03429	0.9
97.02431	0.5
97.02897	4.5
98.03194	3.1
98.98457	18.3
99.04435	1.3
100.04784	0.7
107.01313	1.5
108.01636	1.6
109.02170	0.7
109.02883	6.4
110.03194	6.1
111.04419	1.4
112.04762	1.0
123.97968	0.5
124.01537	0.8
125.01892	0.5
126.03192	4.2
127.03466	2.5
127.03886	2.4
128.04245	1.7
136.01045	0.8
139.03911	0.7
140.04193	1.0
141.05473	3.0
142.05811	1.9
152.01042	1.9
153.01381	1.7
157.04973	8.5
158.05284	7.8
167.03384	78.8
168.03723	100.0
169.03917	4.4
174.99222	1.3
176.98926	1.7
185.04486	2.8
186.04796	4.1
252.05795	0.6
312.07935	17.5
313.08170	1.1
330.09058	2.3
331.13354	1.1
331.17227	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01875	3.8
55.05512	48.5
57.07071	1.8
65.03947	1.2
67.05505	18.2
69.03444	5.4
69.07069	8.7
70.71766	1.3
71.08630	8.4
79.05494	11.9
81.03421	2.2
81.07063	15.4
83.04981	3.4
83.08620	32.7
83.09100	2.2
85.06564	2.9
87.04467	2.2
87.54375	1.1
88.07607	1.3
91.05505	4.4
93.07050	6.3
95.04954	2.1
95.08627	3.3
97.10171	66.3
98.10486	1.5
98.98470	39.7
99.08112	5.0
101.09691	2.0
102.69377	1.3
104.99239	1.4
105.07039	3.7
107.08593	21.7
109.06485	1.4
109.10174	3.7
111.08060	1.8
115.58054	1.2
119.08597	2.0
121.10149	2.2
123.11695	1.4
125.09628	58.5
126.09968	1.7
126.12824	2.5
133.10097	2.5
135.08081	4.4
135.11697	2.9
143.10712	4.0
147.11679	2.0
149.13196	1.5
151.11215	5.1
153.09113	3.7
161.13287	3.8
163.11336	1.5
171.10190	11.3
171.11591	1.7
174.99207	2.9
176.98982	3.2
179.14368	2.9
181.60458	1.3
189.11223	100.0
190.11600	3.1
241.19484	1.7
249.37473	1.0
259.20554	3.5
277.21640	53.5
278.22009	4.0
295.22623	12.0
296.22919	1.4
330.29907	3.4
330.33588	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05512	11.9
57.03429	2.1
57.07060	6.8
67.05500	21.0
69.03419	3.3
69.07070	10.7
70.06567	2.1
71.04999	2.5
71.08630	7.8
71.45319	1.7
72.08142	2.4
73.02911	1.8
74.06078	4.6
74.63444	1.4
79.05489	14.0
81.03371	1.4
81.07060	22.6
83.04976	7.0
83.08616	5.4
83.55189	1.3
84.04500	5.0
85.06531	2.8
87.04482	8.5
88.07616	2.8
91.05472	7.0
93.07035	16.0
95.04961	4.1
95.08589	11.6
97.06519	4.7
97.10153	3.6
98.98460	100.0
99.08070	4.3
100.11257	2.2
100.98853	2.6
101.06023	2.8
104.99258	4.4
105.07027	6.5
107.08585	8.4
109.10143	4.2
111.08069	1.7
116.99494	3.2
117.07050	2.2
119.08590	4.0
120.06572	5.3
121.10134	5.3
125.09622	3.0
129.06966	1.9
130.05008	3.5
131.08522	3.5
133.10139	6.1
135.11681	8.0
137.13258	1.5
139.11176	7.5
147.11682	5.1
148.05977	2.8
149.13214	4.9
151.11156	3.5
153.12750	1.7
156.17490	1.8
157.10136	2.3
159.11644	4.2
161.13208	1.6
161.26192	1.5
163.11124	2.6
163.14818	2.4
165.12657	1.5
173.13280	1.5
174.99184	3.7
175.11334	1.3
176.98868	5.6
181.18034	1.5
182.10614	1.4
186.08778	1.6
189.11180	2.4
195.13835	10.6
252.99492	1.4
256.26144	2.4
259.20450	2.2
262.98022	1.6
268.29926	2.7
270.27820	1.9
276.17743	1.5
277.21616	13.5
286.30405	1.6
295.22772	9.3
313.21985	2.3
330.21677	1.6
330.26526	2.3
330.29956	19.3
330.33676	9.9
331.18668	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0448
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
64.87608	0.3
66.76581	0.4
68.92209	0.3
81.07027	1.1
91.05458	1.4
98.98465	30.8
100.98885	0.7
107.96059	0.4
115.05415	0.5
116.77142	0.3
116.99515	0.7
119.04932	0.7
121.06443	0.4
123.11727	2.4
131.04916	0.9
137.05984	3.0
144.01981	0.6
151.07550	2.8
151.11182	0.5
157.06520	0.5
159.04443	0.4
163.07471	0.6
165.06998	0.5
167.08505	0.5
169.02843	0.9
169.12231	0.6
172.01500	0.6
174.99194	1.9
176.04805	0.5
176.98888	3.5
179.03520	0.5
185.02399	0.4
186.03067	0.7
187.03894	0.8
189.01701	0.7
189.09013	0.7
195.08026	0.7
197.02400	1.0
199.03784	0.4
200.01059	0.7
204.04160	0.8
210.38211	0.3
213.01822	1.2
214.02609	1.9
215.03448	1.8
217.01337	1.5
223.07591	0.5
225.01837	12.5
226.02081	0.6
227.10728	0.5
228.00513	8.5
232.03633	1.2
241.01375	1.1
242.02077	0.6
243.02800	1.1
243.11340	0.6
245.00868	2.2
247.27461	0.4
253.01387	12.3
253.12251	0.5
254.01756	0.5
255.10188	0.8
255.99991	4.1
257.00327	0.4
260.03177	2.5
267.11234	1.6
270.01538	1.1
271.02377	22.3
272.02734	1.3
272.97513	0.7
273.00247	6.9
274.00717	0.4
283.99512	4.8
285.00192	1.8
285.11411	0.5
287.12741	1.0
295.10715	0.8
298.01019	0.6
299.01852	49.1
300.02423	4.3
300.99780	15.2
302.00055	0.7
313.11697	1.0
316.02133	35.8
317.02515	1.9
331.04465	100.0
331.16748	2.1
332.04852	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	331.079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10131	7.2
57.52833	7.9
71.13400	11.5
73.57588	7.9
74.28327	8.2
76.38720	10.6
83.49863	8.1
98.97604	40.0
102.16921	7.9
107.08347	8.1
171.93819	7.4
191.97438	8.1
211.02766	12.4
219.01776	15.7
229.03886	26.6
237.02948	11.9
296.17197	7.7
299.42563	8.9
331.07840	100.0
349.07901	9.8
353.95428	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	331.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	8.0
57.03441	1.6
61.02918	2.0
67.05495	3.1
68.02985	1.1
69.03442	8.7
69.63362	3.7
73.02905	1.9
81.03411	2.0
81.45715	1.0
85.02898	9.5
87.04470	2.5
97.02892	5.1
98.23248	3.4
98.97598	15.7
98.98474	37.7
106.06566	4.9
108.08127	100.0
110.97620	2.3
116.98631	4.2
118.25720	1.2
123.06843	2.9
124.07616	14.6
127.03935	2.5
128.98599	1.5
130.93317	5.2
134.06027	11.8
136.07587	12.2
142.96471	1.5
146.99623	1.3
148.96843	1.2
152.07077	70.7
158.99620	2.1
167.39267	1.3
170.08130	8.8
172.94356	15.4
174.99197	3.1
176.98987	3.5
188.97119	2.5
189.00710	1.2
190.95398	10.6
193.00209	1.4
208.96500	2.3
211.02756	1.7
216.96964	5.9
216.98792	3.2
219.01823	4.0
220.99742	1.4
229.03876	3.3
232.96526	3.7
234.98003	1.7
236.95723	1.2
237.02866	3.7
244.96509	4.1
246.94473	5.5
246.97992	1.5
251.06042	1.1
258.98129	1.6
260.96024	2.0
264.95468	3.8
270.94604	1.1
288.95471	4.7
288.98611	1.6
295.05591	1.4
306.93442	1.8
306.96628	11.3
306.99854	1.3
307.01877	1.8
314.12363	34.5
330.93469	1.2
331.04095	2.3
331.07510	14.7
332.13406	59.6
349.08194	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0793
Annotation	Malvidin
Peak:m/z	Relative Intensity
63.92086	6.7
69.75478	13.9
98.22990	24.9
133.27942	6.6
165.82085	6.8
182.80031	7.1
214.04366	7.5
223.71001	6.8
242.34096	8.8
268.54327	7.4
331.07898	100.0
352.09329	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	331.0814
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
52.74357	0.4
53.15354	0.4
54.57495	0.5
55.01866	0.5
67.05505	0.6
69.07072	0.5
69.36417	2.1
72.48623	0.4
73.70513	0.4
79.05490	0.5
81.07046	1.1
93.07078	0.6
95.08588	0.7
98.23376	0.9
98.98464	76.0
100.98881	1.6
105.07025	0.5
108.41759	0.4
109.10140	0.9
116.99496	1.6
120.13830	0.5
120.14819	0.4
121.10195	0.5
137.02344	1.4
137.05966	0.6
151.07504	0.8
151.38374	0.5
156.35596	0.5
157.06427	0.6
158.07269	1.7
166.76767	0.5
168.05682	1.8
171.04413	0.5
174.99196	3.7
176.98897	7.2
179.03444	0.5
185.05974	1.6
186.06767	5.0
195.05609	0.9
196.05087	2.3
197.05983	1.1
203.03374	2.1
207.24139	0.5
213.05386	3.2
214.06256	3.9
224.04680	1.2
225.05449	1.4
239.11786	0.8
241.04950	1.6
242.05740	5.4
252.04204	1.0
252.99678	1.6
253.04967	1.4
258.05453	0.6
267.11267	1.4
269.04523	1.3
270.05222	36.6
271.05496	1.7
271.10397	0.4
273.03848	0.6
281.04410	0.8
281.12949	0.5
285.03925	1.2
285.08673	1.6
286.04745	1.0
287.05478	4.6
295.06927	0.5
295.10733	0.7
297.03915	7.2
298.04706	14.9
299.05414	4.9
299.13916	0.9
302.04156	1.4
313.08197	2.9
313.11832	1.1
315.04953	13.9
316.05707	10.5
317.06000	0.8
331.08115	100.0
331.16855	2.4
332.08459	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	331.1288
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
51.31565	0.5
61.79520	0.4
69.80337	0.4
79.05501	0.5
85.02900	0.7
98.98470	73.3
100.98888	2.1
107.08633	0.5
116.51473	0.4
116.99490	1.3
119.27944	0.5
120.08137	0.6
124.50678	0.5
155.68623	0.5
169.12314	0.6
174.99194	3.0
176.98915	6.6
179.03410	1.7
196.09993	1.3
211.08769	0.7
211.12285	1.7
224.09537	1.0
225.10126	2.3
226.10905	2.5
238.10966	0.8
239.11798	35.4
240.12265	2.1
241.13478	0.5
243.11234	0.6
247.28600	0.5
252.99686	1.1
253.09842	0.6
254.10361	0.8
254.99385	0.8
266.10492	4.5
267.11285	58.0
268.11700	3.7
271.10648	1.0
285.12341	5.4
295.10782	31.9
296.11157	1.7
313.11819	31.0
314.12225	2.0
331.12897	100.0
332.13257	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	331.1289
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01878	2.8
56.50412	0.3
57.06519	0.3
69.07073	0.6
69.43867	0.4
69.44150	1.7
71.04984	0.7
77.10223	0.3
78.23212	0.4
79.05486	0.7
80.05008	0.6
81.07050	0.5
82.06574	0.4
91.05421	0.5
93.07032	0.5
94.06562	2.0
98.98466	19.4
105.07029	0.4
105.53632	0.4
106.06545	1.8
108.04476	2.9
108.08092	0.4
110.06046	0.9
120.08075	0.7
122.06033	3.5
124.07561	0.4
131.08540	0.5
133.07573	0.5
134.06007	2.0
136.03943	2.0
136.07549	0.6
140.07138	0.6
144.08093	1.0
146.05995	0.5
148.07552	1.2
150.05470	1.0
152.00804	0.4
152.07047	0.7
157.08873	0.4
158.09653	0.9
159.09184	0.5
160.07564	0.6
161.07124	1.5
162.05502	6.9
163.06288	0.5
164.07065	1.8
166.04939	0.6
168.06572	1.3
168.08031	0.7
169.07538	0.5
170.08174	0.9
170.09583	0.8
172.11249	0.8
173.07118	0.4
173.10764	1.1
174.99228	0.8
176.07092	1.2
176.98932	1.9
179.03412	0.4
183.09204	0.7
184.07573	0.8
184.09824	0.5
184.11313	0.7
185.10657	0.5
186.07834	1.3
186.09294	0.5
186.12782	0.5
187.08624	2.6
187.12244	1.0
189.06584	6.8
194.08163	0.6
197.10768	1.1
198.09195	1.2
199.08641	1.3
200.09447	1.1
201.10229	4.8
203.08180	2.9
211.08633	1.1
211.12335	1.2
212.07127	0.8
212.10733	1.4
213.10222	2.2
214.07288	1.0
214.10703	0.6
215.06084	0.7
215.08177	10.6
215.11746	4.7
225.10211	1.8
226.08667	0.6
226.11021	0.8
227.08229	1.4
227.11768	0.5
228.08673	0.7
229.06168	0.8
229.09717	10.5
229.13377	1.4
231.11278	1.0
234.61845	0.4
239.08130	0.8
239.11769	2.7
240.10161	0.9
241.09671	2.7
242.10501	0.8
243.07596	2.1
243.11305	5.1
247.14401	0.6
252.08978	1.0
253.09653	1.2
254.10559	0.7
255.11307	0.9
257.09201	7.0
257.12860	6.2
258.09579	0.5
259.10828	1.0
261.12390	0.5
267.11227	3.5
268.09579	0.7
269.09073	0.7
271.10760	5.5
275.13803	2.8
277.21576	0.4
285.12320	10.3
286.10361	0.4
295.10785	3.9
303.13467	3.0
313.11810	15.4
314.12103	0.5
331.12872	100.0
332.13202	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.175
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
52.30737	0.6
53.82197	0.6
55.05491	1.0
55.49624	0.6
57.07061	1.9
59.83503	0.7
61.02921	0.9
67.05501	4.8
69.03430	6.2
69.07042	2.1
69.51098	1.5
69.51488	1.8
71.04994	3.5
73.03937	0.7
79.05517	0.7
81.03421	0.9
81.07064	6.0
83.04976	2.4
85.02902	6.6
85.06052	0.9
85.06541	14.2
93.07053	1.1
95.04945	1.6
95.08588	1.0
97.02865	1.8
97.06534	1.2
98.98465	18.0
99.08087	0.8
105.07011	0.8
107.08571	2.0
109.02897	0.8
109.06504	3.1
109.10152	11.1
111.08047	1.6
113.06000	3.0
120.50221	0.7
121.10168	3.8
123.08101	0.9
123.11691	12.3
127.03901	1.3
129.58401	0.7
139.11188	5.3
145.04893	1.1
147.53850	0.8
151.11171	7.1
169.08383	7.1
169.12236	100.0
170.12558	4.3
174.99225	0.9
176.98914	1.5
185.04228	5.5
203.05290	2.4
331.13620	67.7
331.16971	2.5
332.13846	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	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03946	1.2
55.01864	0.7
56.96567	1.4
57.03428	1.6
61.02939	2.7
62.60452	0.4
65.03950	1.0
67.05508	3.2
69.03441	7.7
70.15462	1.0
71.04996	0.9
73.02906	1.6
75.94896	0.4
76.75736	0.4
79.05503	0.9
81.03416	2.8
81.07043	0.7
85.02911	8.5
87.04467	2.0
89.03904	0.6
91.03963	0.9
93.05775	0.6
96.08137	0.9
97.02899	3.9
98.22754	0.7
98.97585	4.1
98.98481	2.1
99.04488	0.6
106.06553	4.7
108.08126	100.0
109.02877	1.6
109.08452	1.8
110.97556	0.9
112.99107	0.4
116.98602	1.0
117.03393	0.6
123.06805	3.9
124.07602	15.6
125.02377	0.5
127.03930	1.8
128.98642	0.5
134.06021	11.7
135.04424	0.7
136.07588	13.4
143.00168	0.7
145.04915	0.8
150.05551	0.7
152.07076	68.7
153.01848	1.8
153.07396	1.2
154.08640	1.7
163.03876	4.1
170.08134	10.9
171.02876	0.6
171.06290	1.0
203.05310	0.5
219.01787	1.4
229.03874	0.6
230.04176	0.4
236.52031	0.5
237.02870	1.0
245.05072	1.3
314.12350	37.7
315.12723	1.8
332.08612	2.7
332.13403	62.0
333.11172	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	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.04779	0.8
56.05038	10.5
56.74211	0.7
57.06861	0.7
57.07082	6.9
58.06596	5.8
60.04528	1.5
63.22027	0.6
68.05000	1.1
69.07056	0.8
69.67567	2.2
71.08632	3.2
71.26410	0.6
72.04518	1.7
74.06078	11.1
79.05458	0.9
85.10184	1.1
85.45724	0.6
86.06073	0.9
88.07630	36.6
89.07925	0.6
91.05474	2.3
92.05803	1.2
93.07019	0.6
95.08630	0.7
97.59229	0.6
98.97580	0.7
98.97867	0.7
98.98470	6.1
118.08651	6.0
119.08569	0.7
121.06516	0.9
122.08128	5.7
133.10112	0.9
149.05998	0.8
151.14603	0.6
165.12764	0.7
185.17897	0.6
187.39360	0.7
220.16891	0.7
284.29468	30.2
285.29660	1.1
314.30676	1.6
332.19040	2.2
332.31573	100.0
333.16748	1.4
333.31873	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	333.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73717	3.6
61.02944	4.2
62.63777	4.1
69.03432	5.2
76.53970	4.3
79.05488	5.1
85.02892	12.5
97.02926	5.2
98.97789	6.7
98.98468	90.7
100.98910	5.5
107.04977	6.1
108.05303	4.3
109.02890	4.3
113.60356	5.2
127.03951	9.6
136.04730	5.8
143.03316	3.9
146.06071	4.9
148.99661	3.8
153.01840	100.0
153.03079	7.2
158.00200	4.5
170.11760	14.5
171.02879	6.3
171.06290	9.8
171.10147	3.9
171.12088	16.9
176.98936	14.8
181.73335	4.4
273.03906	13.1
274.04645	18.2
315.06802	5.5
315.09967	8.4
315.13275	6.0
333.09561	52.1
333.11108	42.3
333.15125	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.79572	1.4
53.03948	5.3
55.01872	5.3
55.05509	5.0
57.03432	9.7
57.07079	16.7
59.05007	11.8
61.02930	14.0
67.05505	14.1
69.03432	32.9
69.07065	16.0
69.51011	6.7
71.05005	5.3
73.02923	3.3
79.05505	2.3
81.03400	14.5
81.07068	6.9
83.04975	3.5
83.08629	5.6
85.02907	95.2
85.06541	13.6
85.10226	1.8
87.04477	4.6
87.48558	1.7
91.03961	5.8
91.05497	2.4
93.07056	5.6
95.04964	5.5
95.08608	67.7
97.02897	28.7
97.03484	2.3
97.06546	8.3
98.98465	34.4
99.04467	7.1
99.08096	14.6
107.08603	11.1
109.02844	8.9
109.06522	11.0
109.10142	19.7
111.04469	5.1
111.08074	12.4
111.11732	2.3
113.09647	93.5
114.10017	2.1
119.08537	2.0
121.26077	1.5
121.75110	1.4
127.03930	17.6
127.11196	48.9
133.04904	2.2
135.11682	15.8
137.13261	5.8
145.04959	22.0
151.11070	1.4
153.05473	3.8
153.12743	100.0
154.37596	1.7
155.14310	14.0
167.03392	4.0
169.12268	7.1
170.12590	3.8
171.06372	2.1
171.13840	60.5
176.98892	3.5
177.01808	3.9
177.12798	3.2
189.07623	2.6
195.13884	1.8
213.14885	3.0
223.02415	3.9
232.04286	1.8
255.11382	2.5
279.15823	2.7
301.11862	9.7
315.09512	1.8
315.13226	2.1
333.10928	7.6
333.14542	5.0
333.19077	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97534	0.5
56.96559	0.7
57.07061	1.2
58.06591	1.6
70.06576	0.7
78.68688	0.7
86.06046	0.9
87.04469	1.8
88.07629	6.0
98.98474	6.8
110.62346	0.5
132.10208	1.4
149.02406	0.6
176.98828	0.9
230.91852	0.6
235.12932	0.7
242.24783	5.0
243.12625	0.9
271.28558	0.6
286.27420	1.6
287.11667	3.8
310.13177	0.6
322.47284	0.6
333.16644	18.1
333.20291	100.0
333.31705	2.6
334.16907	1.4
334.20718	7.2
334.29504	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.9
57.07065	0.9
58.06583	1.5
60.04486	0.4
61.91738	0.3
65.76805	0.4
70.06583	0.4
70.13788	1.0
72.08164	0.7
74.06070	0.6
84.83886	0.3
85.10193	0.3
86.06065	0.7
88.07632	7.6
90.87652	0.3
98.23447	0.3
98.98481	2.8
104.07079	0.7
132.10205	1.9
149.75104	0.3
162.11296	0.4
166.10750	0.8
176.98959	0.4
194.65370	0.3
242.24768	6.5
254.24709	0.4
263.12585	0.7
286.27429	2.3
315.19556	0.4
333.20349	100.0
334.20688	6.2
334.29501	19.7
334.33582	0.7
357.29590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93033	0.4
67.05516	0.5
69.26077	1.9
72.04502	1.0
79.05488	0.5
81.07051	0.8
91.05480	0.5
91.40857	0.3
93.07034	0.4
93.60889	0.4
94.98790	0.3
95.08691	0.4
96.77451	0.4
98.98470	3.4
105.07032	0.9
107.08587	0.8
109.06501	0.5
114.09121	0.4
133.10150	0.4
139.51112	0.4
165.12747	1.3
175.14883	0.4
182.15396	0.5
236.20035	0.5
263.12582	0.6
289.21484	0.8
333.17151	3.6
333.20349	100.0
334.16934	0.3
334.20721	7.2
334.27325	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03559	0.4
88.07627	1.8
97.54087	0.4
98.98471	1.1
148.09677	0.4
160.82593	0.4
163.47026	0.6
212.13789	0.4
221.34764	0.4
242.24704	1.6
247.13017	2.9
286.27216	0.9
315.19293	6.5
333.20346	100.0
334.20703	6.6
334.29462	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78517	1.3
88.07631	1.1
98.98476	2.0
165.12729	0.4
213.45462	0.4
235.13153	0.4
242.24921	0.7
315.19257	0.5
333.20340	100.0
334.16693	0.5
334.20615	7.1
334.29483	3.7
355.56366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40802	0.5
88.02229	0.7
98.98485	1.1
105.07030	0.5
122.31358	0.4
141.56700	0.5
152.90926	0.5
165.12743	0.6
235.12991	0.9
251.12630	0.8
315.19052	0.6
333.20346	100.0
334.20697	7.6
334.29373	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	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
72.21387	1.3
79.05484	2.1
81.07065	1.6
83.04988	1.5
93.07037	1.7
98.22721	3.9
98.98470	10.5
105.07035	1.9
109.10159	1.7
157.49417	1.3
315.19336	33.6
316.19775	2.1
333.14139	7.4
333.20358	100.0
334.20688	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	334.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.8
56.08464	1.2
69.03414	3.0
71.04977	1.5
71.43011	1.1
74.48296	1.0
77.55504	1.0
81.03394	1.5
81.07047	4.8
83.08619	2.4
85.02907	8.6
93.06996	1.5
97.02876	2.8
98.00600	1.1
98.09709	1.3
98.98456	4.7
108.08114	1.6
109.06514	5.4
113.07113	1.2
126.09159	16.7
127.03921	2.4
127.07513	5.1
137.06003	4.9
145.04955	1.5
154.07454	1.9
154.08623	23.1
155.07040	11.5
162.05490	1.3
172.09686	39.1
173.09973	1.3
190.04887	1.8
289.11740	1.1
303.50296	1.1
317.11206	1.7
334.08865	100.0
335.09045	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.8
55.01865	1.3
57.03422	1.7
61.02922	3.6
68.16975	0.5
69.03432	5.1
69.84026	1.3
69.90907	0.5
73.02917	1.3
77.57585	0.6
81.03424	2.4
85.02908	25.7
87.04464	0.9
91.03966	1.2
91.05482	8.7
97.02893	6.5
98.22832	0.8
99.04447	1.4
103.51590	0.5
109.02872	2.0
109.06519	0.8
119.04951	7.0
127.03922	4.7
137.05978	100.0
138.06325	2.3
145.04961	8.2
151.07578	0.6
155.07033	9.9
161.06061	1.0
163.05951	1.3
172.09700	0.9
179.07013	1.5
180.08667	5.9
187.37466	0.5
203.07048	1.2
205.08620	0.6
221.08090	0.6
263.09225	1.5
269.24323	0.6
275.30286	0.5
281.10181	0.8
334.11633	0.7
334.15289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86055	0.5
53.03937	0.9
55.01864	0.8
57.03433	1.4
61.02932	3.1
69.03442	4.9
70.84619	1.0
73.02916	1.1
81.03410	3.0
85.02913	26.3
87.35117	0.6
91.04007	1.2
91.05486	11.0
97.02895	6.7
99.04465	0.9
109.02889	1.4
119.04961	7.2
127.03915	3.9
129.13733	0.5
130.84335	0.6
137.05986	100.0
138.06331	3.2
145.04980	7.7
146.05261	0.7
151.07494	0.8
155.07027	10.0
161.05969	1.0
162.07605	0.7
163.06033	0.9
172.09692	1.7
175.07550	0.8
179.07048	1.6
180.08675	4.3
181.08800	0.6
196.64149	0.5
199.07524	0.7
203.07010	1.3
236.64543	0.7
245.08127	1.5
263.09103	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76910	1.2
55.01865	3.6
55.05508	5.3
57.03434	2.7
57.07071	9.8
58.07398	1.9
59.15319	1.1
67.05507	12.9
69.07067	9.3
71.08633	16.0
72.04515	80.5
72.08984	2.5
79.05496	8.9
81.07050	17.6
83.08605	1.8
85.06538	3.6
85.10165	2.3
87.04449	1.3
88.07627	1.8
89.06030	4.3
91.05478	6.4
93.07043	14.1
95.04976	16.0
95.08606	22.3
97.06512	4.6
99.08102	6.1
100.07614	3.0
105.07050	8.8
107.08593	13.6
109.06513	24.3
109.10143	4.0
114.09164	17.4
117.06998	2.2
119.08567	7.1
121.06497	4.4
121.10137	4.3
123.08082	2.2
128.10718	8.3
131.08577	5.5
133.10112	8.6
135.08061	2.8
135.11667	1.5
137.09589	1.8
140.10712	1.8
142.12286	3.6
145.10127	3.8
147.11662	3.3
148.97748	1.0
149.09686	1.3
149.13289	3.6
151.09630	2.6
152.09972	1.7
156.13826	3.3
159.11685	1.8
163.14821	2.7
165.12749	100.0
166.13135	4.3
173.13297	7.1
175.11179	4.0
179.14354	1.8
180.13846	2.0
182.11725	1.4
182.15378	14.7
183.11667	1.4
184.13342	1.6
187.14742	2.0
191.14340	8.0
192.14622	1.2
194.15364	1.8
201.12785	4.5
212.16466	12.4
220.16963	12.8
229.19505	3.5
236.20079	39.2
237.20433	2.7
261.22098	1.4
271.20602	6.2
278.21042	1.8
289.21667	8.1
316.26297	5.8
334.27377	65.0
335.25803	5.0
335.28351	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	334.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45966	1.2
55.01860	4.8
55.05506	2.4
55.15266	1.5
56.91595	1.2
57.07063	4.6
67.05505	9.1
69.07077	6.5
71.08646	10.2
72.04519	73.2
79.05508	6.8
81.07048	13.4
83.08603	1.3
85.06535	3.0
88.07645	1.5
90.28674	1.3
91.05476	4.9
93.07050	9.7
95.04966	14.7
95.08607	16.9
97.06521	3.4
98.23478	1.9
99.08102	4.4
100.07615	2.5
103.84235	1.3
105.07024	6.1
107.08586	11.6
109.06523	22.8
109.10134	3.3
114.09171	16.4
119.08570	4.8
121.06512	3.7
121.10172	1.6
123.08099	1.6
128.10712	5.7
131.08621	3.1
133.10114	6.4
135.07997	2.2
137.09683	2.0
142.12283	2.4
145.10104	3.1
147.11684	3.1
149.09619	2.2
149.13216	2.1
156.13777	3.1
159.11780	1.5
163.14783	1.7
165.12759	100.0
166.13095	4.6
168.13818	1.7
173.13290	6.1
175.11328	2.9
180.13832	2.2
182.15421	13.8
183.11729	1.8
184.13373	1.9
191.14299	8.9
194.15303	2.1
201.12708	4.6
212.16443	7.8
215.14233	1.7
220.16960	11.3
229.19495	3.7
236.20093	40.1
237.20364	2.6
248.19896	1.4
271.20523	4.8
278.21097	1.7
289.21704	8.4
316.26309	7.5
323.88907	1.3
334.27386	63.7
335.27737	3.2
351.43616	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	335.0742
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
62.99860	2.2
67.07343	2.6
67.24052	2.3
67.74937	2.5
69.86171	4.3
69.86540	5.1
98.23315	6.5
112.02268	2.6
159.35286	3.0
284.99295	3.2
335.07404	100.0
335.11469	6.4
336.07617	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
60.46516	0.7
69.92542	1.5
69.92896	1.3
85.02898	1.1
95.04966	0.8
98.97633	0.7
107.42039	0.7
113.06016	1.0
126.03732	1.1
130.91154	0.6
134.37654	0.7
138.06360	1.2
155.07027	2.4
156.04771	1.2
174.05789	1.9
178.68961	0.6
189.10072	0.7
257.23785	0.8
271.10812	1.6
287.05164	4.0
289.11765	2.8
317.06274	3.1
317.11353	3.2
335.07352	100.0
336.07144	4.1
336.11133	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	335.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27261	3.8
56.96571	4.5
71.44848	3.4
72.42039	3.2
85.02924	4.1
89.61008	3.8
98.97581	13.9
102.20577	3.5
102.96864	5.2
108.83923	3.2
116.98670	4.8
121.19590	3.2
137.05913	4.5
138.06296	4.8
142.50240	3.5
173.06659	4.2
173.07948	4.7
197.67450	3.7
219.01837	4.0
233.03159	4.6
270.91757	3.6
274.97394	4.3
292.98456	4.1
335.06503	5.1
335.11511	100.0
336.11432	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92268	1.1
55.05491	1.0
56.19560	0.8
65.03940	3.6
67.05506	5.3
69.07075	100.0
70.03335	2.3
70.07416	1.8
79.05492	2.4
81.03419	1.7
81.07070	7.3
84.85191	1.2
91.05463	1.1
92.05009	3.5
93.07041	2.6
94.06548	4.5
95.04974	2.5
95.08617	3.8
97.06544	15.0
99.32698	1.0
105.04532	1.1
105.07059	1.8
107.08655	1.4
109.02917	1.2
109.06499	1.6
109.10185	2.3
110.51638	1.0
119.03683	1.5
119.08586	1.8
120.04511	1.4
122.06037	6.7
124.07603	3.1
125.06028	1.1
133.10129	1.6
137.05986	2.7
137.09612	1.5
138.05499	5.1
140.07079	9.3
144.08096	1.6
145.08881	3.7
145.10025	1.6
146.05927	1.6
146.09647	4.2
147.06750	1.3
148.03954	2.6
150.05516	81.6
151.05814	2.3
152.03462	1.0
157.08879	1.8
159.05598	0.9
159.06860	1.1
159.10338	1.2
160.11195	1.1
161.08386	3.5
162.09172	2.5
164.03430	1.5
165.04204	1.0
166.05020	29.9
168.06619	2.1
171.11696	1.3
172.07568	1.1
172.11227	4.4
173.08342	2.4
174.05533	1.5
174.09190	1.5
174.12804	6.2
176.03464	5.8
178.05086	1.9
185.08400	1.5
186.07628	3.0
190.12273	3.9
194.04498	3.9
200.10744	7.5
202.12267	8.9
204.10281	1.2
213.10181	1.9
216.10190	3.2
218.08398	1.5
218.11774	30.7
219.12276	1.0
228.10222	14.3
229.13289	1.1
234.11264	3.1
243.11449	1.4
244.09674	2.2
245.12849	2.2
246.11264	27.1
256.09598	1.6
261.12579	1.1
271.11053	4.4
272.09058	2.8
273.12283	4.0
274.10782	2.9
287.10300	9.0
289.11862	11.4
291.13470	1.3
291.88751	0.9
299.10284	5.6
299.13156	1.0
317.07861	1.9
317.11377	28.7
335.12384	24.9
335.22443	1.3
336.12506	2.3
352.23627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21453	0.6
51.86874	0.5
53.03949	6.3
55.01871	2.6
55.05518	3.4
57.03418	0.5
57.07094	0.8
57.40433	0.6
58.31711	0.5
67.05509	3.8
69.03436	6.1
69.07079	2.6
71.05009	3.6
71.44253	0.4
79.05495	7.3
81.03426	37.2
81.07065	12.2
82.03745	1.0
83.04998	2.6
85.06544	1.5
91.05490	6.9
93.07056	17.9
94.70406	0.5
95.04973	4.5
95.08616	4.1
97.02882	2.3
97.06561	3.8
99.04465	6.3
105.07041	18.8
107.04987	2.0
107.08604	18.9
109.02888	100.0
109.06535	4.9
109.10188	2.6
110.03220	1.7
111.04441	3.0
111.08112	1.3
113.06016	1.1
115.05469	1.3
116.06225	0.6
117.07013	2.8
119.08591	9.2
121.06517	9.4
121.10154	9.8
123.04432	0.9
123.08070	3.4
125.02374	2.7
125.06001	1.1
125.41705	0.6
127.03923	8.7
127.07528	0.9
128.06226	0.8
129.06996	1.5
130.07791	1.9
131.08585	2.1
133.06494	1.3
133.10123	2.7
135.04434	0.7
135.08076	5.4
135.11722	4.9
137.05992	1.2
137.09624	1.3
141.06981	0.6
143.08562	2.3
144.09323	0.7
145.06467	0.9
145.10144	18.9
146.10423	0.6
147.04445	0.6
147.08043	3.0
147.11699	4.0
149.05997	1.9
149.09633	4.5
151.07530	2.8
151.11172	0.6
153.05479	0.5
155.08582	1.7
157.10191	1.4
158.07310	0.5
159.08041	1.2
159.11725	1.0
161.06006	1.1
161.09641	4.0
163.07570	1.2
163.11198	38.5
164.11546	1.3
165.09111	0.8
167.07047	0.8
167.10713	1.2
169.08609	1.8
169.10133	1.3
171.08089	1.0
173.09682	4.3
175.07617	1.6
179.07033	0.9
179.10689	1.9
181.12305	3.3
183.11687	0.7
185.09628	1.1
187.07576	0.7
189.09096	3.0
189.12576	0.5
191.10681	21.3
192.10985	1.1
193.08482	0.6
193.10179	0.5
197.13344	0.6
199.07663	0.5
201.09093	1.4
201.12775	1.1
203.10757	1.0
207.10168	0.8
209.11732	7.9
211.11263	1.0
213.09193	1.5
215.10716	1.0
217.08629	0.6
219.10188	1.1
225.12834	1.5
227.10811	0.7
227.12790	1.7
229.12270	1.4
233.29547	0.5
243.10152	0.5
243.13866	2.2
253.12315	2.1
257.11829	0.9
261.14890	1.1
271.13263	5.1
275.12772	0.9
277.10660	3.6
281.11765	1.5
289.14349	4.9
291.16254	0.5
299.12888	2.3
317.13889	3.4
335.14938	14.1
335.17847	0.6
336.15176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.0
56.36572	0.8
58.06599	1.4
58.68615	0.8
66.95792	0.8
67.05497	1.9
79.05481	1.2
81.07048	2.4
86.06070	1.0
88.07638	6.5
89.07980	1.7
93.07056	2.0
95.08643	1.6
107.08580	1.4
109.10182	1.2
132.10217	1.2
166.10765	1.3
168.76112	0.7
242.24745	1.6
243.25142	6.2
287.27780	2.7
288.92209	0.9
293.13712	1.9
293.96509	0.9
317.28619	0.9
321.37656	0.8
334.29242	1.7
335.21921	100.0
335.25369	3.5
335.29785	21.3
336.22116	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.19509	0.5
61.90302	0.5
64.61369	0.5
67.05506	0.9
69.07071	0.5
69.80676	1.3
69.81017	0.9
71.08608	0.5
72.04510	2.3
81.07056	1.5
91.05491	0.7
92.99849	0.5
95.08602	0.7
105.07070	0.7
107.08604	0.6
128.10727	0.6
162.73286	0.5
165.12772	2.2
166.13069	1.9
183.15872	0.5
202.13264	0.6
237.20464	0.7
261.31461	0.5
272.21005	0.7
312.85840	0.5
317.21213	0.6
317.24805	1.5
335.21909	100.0
336.22159	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	335.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.7
58.06607	0.5
59.32445	0.3
67.05479	0.6
69.16198	0.4
74.29054	0.4
81.07069	0.7
88.07642	1.9
93.07047	0.9
93.65373	0.4
95.08597	0.6
98.22924	0.4
109.06512	0.3
121.10192	0.5
132.10272	0.7
155.52203	0.4
217.63762	0.4
243.25085	1.9
268.58447	0.4
287.27670	0.8
317.21173	0.5
334.29550	0.7
335.21948	100.0
335.29968	6.7
336.22205	6.3
336.25836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.9375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37222	0.7
56.96553	2.4
67.42375	0.7
69.81494	2.9
95.28011	0.8
98.22820	1.4
98.97570	13.2
116.97880	0.7
116.98598	4.4
130.93297	1.4
134.99689	1.1
139.92786	0.7
145.61145	0.7
172.94366	3.9
176.88573	0.8
190.95456	1.9
192.87843	12.1
192.89276	0.8
200.24112	0.8
205.00264	1.6
210.88918	18.1
228.89984	18.5
232.96497	1.4
234.88881	6.1
246.91077	5.7
250.97520	1.2
252.89986	16.7
264.92099	0.8
270.91058	75.4
271.91306	0.8
273.94739	0.7
286.88937	0.8
288.92111	100.0
289.92438	1.1
290.92639	0.9
306.93152	30.0
307.93552	0.8
311.93594	1.6
312.83310	1.5
312.92206	3.1
330.93246	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	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04697	2.1
70.05051	2.0
85.74380	0.9
126.54409	0.9
163.94579	0.9
190.20114	1.0
204.59665	1.0
238.10313	1.0
266.02872	1.0
279.53149	1.3
300.94778	1.2
337.08954	100.0
338.09283	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	337.0897
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
70.04697	2.1
70.05051	2.0
85.74380	0.9
126.54409	0.9
163.94579	0.9
190.20114	1.0
204.59665	1.0
238.10313	1.0
266.02872	1.0
279.53149	1.3
300.94778	1.2
337.08954	100.0
338.09283	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	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.00753	0.5
51.05603	0.6
52.45263	0.6
55.05491	0.9
66.29645	0.5
67.76369	0.5
71.04979	1.4
71.44215	0.5
81.61705	0.6
83.04964	0.9
85.02882	1.6
93.07078	0.7
95.04906	0.9
96.76991	0.5
97.06473	0.8
98.97590	1.1
99.04438	1.7
111.08089	1.3
131.22331	0.6
139.07510	1.6
140.07037	0.8
145.02797	0.7
157.08580	0.8
158.08093	0.7
163.03944	4.9
175.03674	1.3
175.09660	0.8
176.07076	0.7
186.75618	0.5
220.60585	0.5
319.12695	0.5
337.08878	100.0
338.09003	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	337.175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85384	0.4
67.05514	0.7
70.12829	0.8
81.07054	0.6
91.05495	0.4
93.07012	0.4
95.08620	0.7
97.10142	0.4
98.23340	0.6
107.08559	0.6
114.99952	0.4
119.08619	0.5
137.97574	0.4
337.10577	8.2
337.17493	100.0
338.11005	1.0
338.17798	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	338.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05511	1.3
56.96554	0.5
57.05832	0.4
65.03928	0.3
67.05502	2.8
69.07072	9.0
71.04977	0.4
79.05484	2.9
81.07059	6.2
83.05000	3.0
83.08587	0.5
86.09708	100.0
87.09566	0.4
87.10023	1.9
88.03988	0.7
91.05479	6.1
93.07053	9.4
95.04980	1.8
95.08613	1.9
97.06558	0.7
98.23544	0.5
98.97581	4.7
105.07035	9.9
107.04930	0.5
107.08608	2.5
108.04488	0.7
109.06522	5.5
109.10172	1.2
110.60623	0.3
111.08082	2.9
116.98613	2.3
117.07009	0.4
119.08586	3.0
121.10116	0.8
123.08096	1.1
123.11704	0.4
128.10716	5.2
129.07034	0.8
129.09125	0.5
131.08594	3.2
133.06534	1.0
133.10135	12.5
134.10495	0.6
134.99617	0.6
142.16875	0.3
145.10135	0.5
146.11765	30.2
147.08026	0.4
147.11678	8.1
148.12030	0.4
149.09613	1.3
149.13318	0.7
151.07552	2.1
151.11185	30.8
152.11627	0.9
154.04970	0.4
156.10205	1.8
157.10132	0.4
165.12762	1.5
167.14313	0.6
168.06538	0.7
175.11200	3.4
180.97876	0.5
186.07646	0.7
193.12260	2.7
198.98920	0.4
210.14894	1.0
222.14960	0.7
232.96365	0.4
256.96558	0.8
260.20126	5.7
274.97501	5.6
278.21158	34.4
279.21387	2.4
288.19720	0.5
292.98566	2.9
297.99106	0.6
306.20630	3.1
320.22244	3.3
338.23236	17.8
338.26654	0.9
338.96829	0.5
339.23505	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	339.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.6
69.15942	9.9
98.22698	3.3
98.97584	92.3
106.08371	1.7
116.98631	34.0
120.97985	1.6
123.00114	1.9
134.99683	8.3
180.97818	4.1
189.38609	1.5
190.95386	2.1
196.91855	1.5
198.98897	7.6
199.00558	1.7
214.95436	3.3
232.96376	4.7
247.02731	1.7
250.97307	2.5
256.96478	15.4
258.99719	3.3
261.03021	5.0
262.03217	2.2
263.02884	5.1
274.97495	100.0
277.00854	5.5
292.98560	44.3
293.01108	1.3
298.97690	2.4
316.98868	3.3
338.96796	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	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03429	0.3
69.03441	0.4
69.09375	1.9
77.03929	0.3
79.05483	1.1
85.02897	0.9
89.03918	3.9
91.05479	1.0
91.33001	0.3
95.01322	2.1
95.04982	0.6
95.08615	0.6
98.23450	0.5
98.97618	0.2
101.03922	0.6
103.05457	1.7
105.03433	0.3
105.04498	0.3
107.04966	1.5
109.02894	0.3
115.05421	0.4
117.03384	5.4
119.04951	1.1
121.02841	1.6
122.06013	0.8
123.04413	3.0
123.08077	0.4
129.01859	0.4
131.04922	2.7
135.04411	18.1
136.04778	0.7
136.07564	1.2
137.02301	0.7
139.03909	0.7
141.01802	1.2
141.09108	0.6
142.09343	0.3
143.04916	0.9
145.02852	8.1
146.03328	0.3
147.04402	27.6
148.04779	0.8
149.02330	5.7
149.05975	1.3
151.03862	0.5
154.08623	0.8
155.04951	0.4
157.02847	0.8
157.06442	0.3
159.04419	2.1
161.05986	1.2
163.03896	96.2
164.04234	3.1
164.07077	0.5
165.05464	0.9
171.04422	0.4
173.05989	0.6
175.03893	3.8
177.01834	6.0
177.03932	2.1
177.05450	3.5
177.06570	0.5
178.02139	0.4
179.03325	0.4
181.04930	0.6
182.08165	0.6
183.04401	0.4
185.02339	0.3
185.05945	0.3
187.03868	4.2
187.05344	0.5
188.04355	0.3
189.01831	0.8
189.05446	2.6
191.03375	1.4
193.04929	0.6
195.02878	0.6
201.05441	0.9
203.03380	100.0
204.03734	4.0
205.04962	6.1
213.05496	1.2
215.03384	7.4
217.04933	0.8
219.02863	1.8
221.04395	0.9
229.04953	3.0
231.02870	14.4
231.06467	0.6
232.03279	0.5
233.04437	5.7
243.02759	0.4
247.02246	0.5
247.05931	1.0
249.04111	0.4
250.08057	0.8
251.05437	0.4
257.04401	0.5
259.05969	1.0
261.03934	7.6
262.04388	0.3
274.97327	0.8
275.05328	0.9
279.05005	12.2
280.05212	0.5
291.04993	6.8
303.04910	0.9
321.06085	1.5
339.07013	5.6
339.10645	1.4
340.07617	0.3
340.13593	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	339.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12763	0.4
70.03919	0.7
70.04252	0.8
71.64422	0.5
98.97561	2.3
100.04452	0.5
113.93796	0.4
116.98628	1.0
119.04938	0.8
125.64034	0.4
130.77704	0.4
131.13043	0.4
147.04395	5.9
147.99783	0.4
177.05202	0.6
185.04253	1.2
258.59677	0.5
274.97568	2.7
292.98566	1.1
339.10498	100.0
340.10767	4.6
340.14185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01885	0.7
56.89602	0.3
57.03445	0.9
63.02388	0.4
69.03430	5.1
69.42390	0.3
71.04998	0.5
73.02917	0.7
76.24335	0.3
78.04671	0.4
78.36509	0.3
79.05503	0.4
81.03417	14.3
85.02908	4.7
89.03921	6.4
89.17004	0.3
91.05495	0.5
97.02886	0.9
99.04429	1.6
103.05488	0.5
106.04167	0.6
109.02886	4.8
117.03381	21.3
118.03686	0.6
119.24089	0.3
122.06023	0.5
127.03909	1.6
131.94389	0.3
134.03630	1.2
135.04437	1.1
145.02846	55.1
146.03214	2.0
149.05988	7.0
162.03200	0.5
162.05490	0.9
163.03908	0.7
177.05469	100.0
178.05818	3.4
186.05423	0.7
195.06543	2.8
274.97464	0.5
279.08560	0.7
294.13370	0.5
321.09677	16.1
322.09967	1.2
339.10709	4.0
339.17783	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	339.1079
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03434	0.4
65.03947	1.5
67.05505	0.4
69.03440	0.5
69.16563	0.3
70.90255	0.5
79.05473	0.5
81.03391	0.3
83.04988	0.4
83.08614	0.3
85.02905	0.9
89.03918	0.3
91.05489	12.6
92.05799	0.4
95.04982	0.5
97.02891	0.7
97.10174	0.6
98.97612	0.7
99.04449	0.3
103.63512	0.3
109.02839	0.5
111.04446	0.6
116.98662	0.4
117.03384	1.4
119.04952	30.8
120.05260	0.9
127.03945	0.8
141.58105	0.3
143.10655	0.9
145.02855	2.8
147.04419	100.0
148.04756	3.4
149.06021	0.7
160.10535	0.3
167.18637	0.3
169.34416	0.3
176.10889	0.3
177.05473	4.7
177.09145	0.4
178.04970	0.7
274.97470	0.8
312.03464	0.3
321.09760	0.4
323.36768	0.4
339.10519	1.6
339.14233	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03941	2.1
55.01880	0.9
55.58787	0.3
57.03451	1.4
63.02363	0.4
69.03429	6.8
70.78036	0.4
71.05002	0.9
71.05366	0.3
73.02924	0.6
73.07038	0.3
81.03415	22.7
81.07034	0.6
82.03745	0.4
85.02900	6.2
89.03917	7.0
90.84267	0.2
91.05506	0.6
93.07033	0.3
97.02884	1.3
98.97575	0.5
99.04443	2.1
106.04160	0.5
107.08671	0.3
109.02299	0.2
109.02877	8.7
117.03377	25.4
118.03697	0.5
119.04758	0.2
122.38786	0.2
127.03906	2.0
129.04506	0.3
134.03658	1.6
135.04457	1.0
145.02843	62.0
146.03172	1.8
149.05977	8.2
162.03146	0.4
163.03906	1.1
173.96574	0.2
177.05463	100.0
178.05788	3.2
186.05428	0.7
195.06534	4.2
256.96356	0.3
274.97470	0.5
279.08588	1.1
305.19305	0.3
321.09671	29.7
322.10001	1.5
339.10641	3.8
339.14182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	0.4
57.03438	0.8
61.02921	0.6
63.02377	0.5
69.03423	5.4
71.04996	0.6
72.75994	0.3
73.02908	0.3
74.69065	0.2
77.91183	0.2
81.03414	11.9
82.03747	0.3
85.02908	4.2
89.03908	5.4
91.05479	0.7
97.02886	0.8
98.97562	0.3
99.04451	1.3
101.02338	0.3
101.81737	0.2
106.04151	0.4
109.02880	5.0
117.03378	17.8
118.03712	0.4
127.03931	1.6
134.02716	0.3
134.03610	1.3
135.04417	1.1
136.38518	0.2
145.02840	49.7
146.03168	1.6
149.05965	6.2
162.05447	0.6
163.03925	0.5
177.05460	100.0
178.05809	3.3
179.03497	0.3
186.05486	0.8
195.06497	3.1
274.97458	0.5
279.08459	0.5
321.09665	16.5
322.10004	1.0
339.10742	4.5
339.17496	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	339.1075
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
56.52219	0.2
65.03937	1.1
67.05492	0.4
81.07043	0.5
83.04970	0.5
84.69875	0.3
91.05476	9.0
100.70450	0.3
102.72966	0.3
111.04448	0.5
119.04944	23.7
120.05297	0.6
145.02838	0.9
147.04407	100.0
148.04739	3.2
149.66595	0.3
161.85742	0.3
165.05371	0.5
166.08749	0.3
177.05533	1.7
215.43674	0.3
219.02893	0.3
253.82460	0.3
339.14362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
63.47519	0.5
65.03944	1.1
69.03427	0.6
71.44484	0.4
77.93913	0.4
83.04948	0.6
85.02898	0.8
91.04949	0.8
91.05488	11.7
95.04989	0.5
98.23056	0.5
109.02817	0.5
112.49654	0.5
113.77809	0.5
117.03400	0.7
119.04951	28.9
120.05235	0.5
125.58476	0.5
127.03943	0.5
140.86845	0.4
143.10658	0.9
145.02873	2.4
147.04416	100.0
148.04774	3.1
157.01375	0.4
163.24557	0.5
177.05505	5.3
274.97510	0.6
339.14334	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03945	1.9
55.01863	0.4
57.03432	1.0
63.02369	0.4
69.03427	6.1
69.07047	0.3
69.31190	1.1
71.01346	0.3
71.04983	1.1
73.02907	0.5
81.03413	16.4
81.07050	0.3
82.03741	0.2
83.04951	0.2
85.02900	5.5
89.03374	0.4
89.03912	7.1
90.04289	0.2
91.05482	0.6
93.07035	0.3
97.02877	0.9
97.10181	0.2
98.97588	0.7
99.04452	1.7
99.98182	0.2
103.05428	0.3
106.04130	0.4
109.02873	5.1
109.09296	0.2
109.10110	0.2
113.51888	0.2
117.03373	25.5
118.03698	0.6
124.05196	0.3
127.03877	1.7
134.03636	1.6
135.04453	1.0
145.02838	58.1
145.99124	0.2
146.03171	2.1
147.04384	0.3
149.05963	8.2
162.03105	0.5
163.03906	1.3
163.47873	0.2
177.05457	100.0
178.05800	4.1
184.14862	0.2
186.05455	1.0
195.06502	3.4
274.97409	0.7
279.08682	1.0
292.98694	0.3
296.26193	0.2
300.26077	0.2
321.09665	20.9
322.10065	1.4
339.10730	2.9
339.14279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46853	0.3
56.23680	0.3
57.20039	0.2
58.35927	0.2
67.78970	0.3
68.98924	0.2
69.03438	0.6
70.59437	0.5
79.05505	0.3
81.03426	0.8
81.07038	0.4
90.72048	0.3
93.07085	0.3
98.97577	0.5
99.04517	0.3
102.14660	0.3
114.90255	0.3
117.90792	0.3
123.11723	0.4
124.07651	1.4
141.12726	0.3
142.13106	0.4
145.02895	0.5
147.04417	0.3
177.05495	0.6
177.08887	1.0
187.08690	0.4
205.09764	2.6
219.02975	0.3
234.80643	0.3
274.97595	0.9
292.98550	0.3
321.14432	1.0
322.12549	0.4
324.11746	0.4
339.14175	100.0
340.14517	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	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
60.36698	1.2
65.03934	1.1
67.05499	3.8
69.03430	2.1
69.93223	2.5
71.08635	1.2
79.05484	4.0
81.07056	7.0
85.02904	2.3
89.03909	1.2
91.05481	5.3
92.91785	1.1
93.05775	1.8
93.07048	1.9
94.06572	2.8
95.05006	1.7
95.08555	1.9
96.08147	2.6
97.06506	2.4
108.00990	1.1
108.08129	1.7
109.06506	1.6
110.06055	8.6
117.03374	2.5
119.04938	14.5
120.04456	1.3
122.06033	25.6
123.06816	2.1
123.61256	1.1
124.07596	18.2
125.09634	1.8
134.06006	17.3
135.04428	2.0
136.07576	87.3
137.07901	3.1
138.05533	1.7
140.07062	7.8
141.09097	2.0
142.09465	1.5
143.06941	2.4
143.10683	3.6
145.02859	3.2
147.04410	57.0
147.05588	2.8
148.04764	2.4
148.07655	1.2
150.05486	10.1
152.07065	100.0
153.07437	3.6
154.08656	1.7
158.08186	2.8
161.08130	3.5
163.03902	7.1
164.07063	97.6
165.04413	1.5
165.07407	2.7
166.08603	1.5
168.06609	3.6
170.08144	14.8
172.11220	2.1
177.05420	6.7
178.05023	5.6
181.47885	1.0
182.08141	35.3
183.08449	2.2
200.10773	2.1
203.03372	1.7
214.12350	1.9
260.12753	5.8
285.12335	2.5
303.13394	60.0
304.13766	4.5
321.10931	0.8
321.14438	20.2
322.15393	1.4
339.10468	7.5
339.15472	4.6
340.13815	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	339.1551
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
54.49462	0.5
56.96543	0.9
84.08132	0.6
85.02928	0.5
91.05456	0.7
97.06500	0.5
98.97576	6.4
116.98582	3.9
119.04919	0.8
134.99623	1.9
136.07550	0.5
136.37453	0.4
136.38478	0.5
143.06985	0.7
147.04395	4.2
152.07106	0.6
159.72746	0.4
161.10658	1.0
164.07080	0.7
173.10667	1.1
176.09390	0.6
177.06567	2.3
178.08681	0.6
180.97836	1.1
187.12254	0.9
188.09367	0.6
188.13040	1.5
189.10194	1.6
190.95242	0.5
194.10382	0.7
198.98862	2.0
200.09468	1.7
201.10149	2.7
202.10971	1.1
207.11272	13.6
208.11858	0.7
213.10176	0.6
214.11029	1.7
215.08156	1.3
215.11763	2.9
216.12560	2.1
218.10484	1.5
219.11221	4.1
220.12032	3.1
221.12857	1.2
221.46490	0.5
229.09764	1.1
229.13345	8.2
232.12025	1.0
233.09174	2.1
233.12846	4.0
234.13586	1.0
247.10791	1.8
247.14394	6.4
248.11450	1.0
256.96420	1.2
257.12836	8.7
262.13101	1.3
265.11832	0.9
274.97467	9.1
275.13849	10.2
276.14136	0.7
277.15460	1.4
285.12292	3.0
292.98590	4.7
293.14890	5.8
303.13367	13.6
304.13705	1.5
321.14413	40.8
322.14822	2.5
338.96744	1.0
339.15466	100.0
340.10257	0.9
340.15884	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	339.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01871	3.2
55.05515	15.1
57.03434	4.2
57.07072	1.7
59.04992	1.7
65.03947	2.7
66.64914	1.8
67.05158	2.8
67.05510	41.1
69.03439	26.7
69.07076	17.0
71.04996	8.5
73.02908	2.0
79.05498	22.8
81.03423	100.0
81.07062	58.2
82.03715	1.7
82.07417	1.4
83.04982	19.3
83.08627	12.8
85.02936	7.1
85.06551	4.4
91.05488	27.9
93.07047	33.8
95.04962	8.4
95.08620	17.1
96.45641	1.6
96.76933	1.7
97.02887	9.5
97.06537	9.8
97.10166	2.7
98.97594	22.6
99.04470	10.3
99.08103	1.8
105.04507	1.4
105.07042	18.3
105.07755	2.3
107.04959	3.7
107.08609	20.4
109.02879	28.7
109.06520	5.2
109.10167	7.5
111.04459	37.9
111.08087	4.1
116.98625	11.6
117.07030	9.2
119.08569	10.9
121.06525	2.5
121.10155	11.4
123.11738	7.7
127.03916	18.0
129.06992	3.6
131.08586	10.9
133.06516	4.6
133.10144	13.8
134.99661	4.6
135.08052	5.2
135.11688	9.3
139.09660	1.4
141.07007	2.5
145.04950	1.8
145.06386	1.8
145.10124	2.4
147.04353	2.4
147.08064	2.4
147.11682	13.9
149.09615	4.2
149.13283	22.1
150.13644	1.5
151.11214	3.1
153.12839	1.6
155.08586	1.5
157.10188	4.6
159.11678	12.9
161.09689	1.6
161.13348	2.3
163.11140	1.7
163.52834	1.4
165.12758	4.8
173.13408	1.8
175.11252	5.1
175.14815	1.6
177.12764	9.4
178.12207	1.7
180.97917	2.9
183.11702	1.9
185.13184	1.7
193.12323	1.7
195.13785	12.4
198.98952	5.9
225.00157	1.7
232.96396	3.2
256.96475	6.1
274.97504	36.6
275.16449	2.5
285.14838	2.3
292.98544	15.2
295.17230	1.8
297.98996	3.2
303.15842	5.6
308.49231	1.9
321.16870	9.3
321.24207	2.2
338.96762	4.1
339.13840	2.7
339.18011	48.0
340.18314	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	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51731	2.4
53.03935	4.4
55.01873	12.0
55.05513	30.8
56.96563	6.8
57.03429	8.9
57.07079	13.1
67.05216	2.7
67.05506	37.6
69.03420	6.8
69.07069	12.6
79.05492	81.5
81.03407	10.7
81.07055	59.4
82.04166	4.8
83.04971	15.0
83.08631	17.4
83.24047	2.3
85.06545	2.4
91.05478	42.2
93.07047	26.8
94.04201	2.8
95.04958	21.7
95.08608	17.6
97.06527	9.0
97.10175	27.1
98.23499	6.4
98.97589	44.7
105.04506	6.0
105.07024	41.6
107.04259	3.0
107.04951	50.1
107.08591	29.7
108.05729	3.4
109.06501	8.3
109.10148	7.8
111.08049	3.7
116.98624	30.2
117.07010	22.9
119.04918	6.9
119.08577	60.6
121.06522	22.2
121.10148	38.1
123.08084	5.1
125.09616	26.4
129.06990	12.3
130.07794	2.8
131.08580	18.0
133.06482	21.7
133.10123	23.9
134.99661	10.1
135.08072	21.0
137.09599	3.6
140.00221	2.9
143.08563	7.0
145.06430	5.2
145.10112	19.4
147.08034	22.4
147.11665	32.2
149.09612	7.9
153.09113	8.3
157.10107	9.7
159.08066	5.6
159.11674	5.5
160.08844	3.1
161.09593	12.3
162.10399	3.2
163.11169	9.6
171.11690	6.5
172.94421	2.9
173.13345	3.9
175.11174	27.6
180.97783	5.0
187.14853	5.3
190.41359	2.8
198.98819	7.2
199.11282	2.9
203.12761	22.9
215.14388	3.0
216.82922	2.5
217.15840	10.6
218.13196	3.3
227.17868	3.1
232.96373	4.7
233.15384	27.5
237.14798	5.2
245.18965	3.9
246.19662	3.5
255.17448	5.5
256.96487	9.0
265.17969	10.1
273.18439	40.5
274.97491	62.6
283.16919	100.0
284.17197	7.8
292.98526	32.0
293.99060	3.8
297.98996	8.7
305.21109	91.4
306.21570	5.8
338.96622	7.7
339.23187	20.3
359.31467	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	339.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.2
56.96549	0.8
57.07079	11.3
67.05483	0.8
68.45065	0.4
69.07071	0.8
69.07929	0.8
69.08330	2.1
70.06570	0.6
81.07057	0.5
81.43212	0.4
83.08593	0.5
91.05486	3.1
93.07059	2.6
97.06528	0.6
98.97578	5.9
105.07031	9.7
107.04938	0.6
107.08602	2.5
116.98626	3.4
117.07018	1.0
119.07745	0.9
119.08587	16.9
121.06496	4.0
121.10149	28.6
122.10458	1.2
131.08618	1.0
132.09364	1.0
133.06467	1.3
133.10133	13.3
134.10445	0.9
134.99681	1.0
142.07755	1.3
145.06441	0.8
145.10112	1.8
147.07980	1.2
147.11685	21.3
151.11230	0.5
157.10104	1.8
160.08842	1.3
163.11244	1.1
175.11191	13.5
176.11513	0.6
177.12753	0.7
193.05070	0.7
195.41273	0.5
256.00534	0.4
256.96310	1.0
274.97534	7.3
283.16925	100.0
284.14423	0.9
284.17242	8.3
291.56656	0.5
292.98679	3.1
297.98950	1.0
338.96982	0.5
339.19308	0.9
339.23196	19.7
339.27087	0.8
339.34540	1.7
339.77878	0.9
340.23511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2536
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03963	1.3
55.05517	45.3
56.96570	1.0
57.03440	2.0
57.07070	2.6
58.42179	0.9
67.05508	7.4
69.03429	2.6
69.07078	19.7
69.48007	1.4
69.48405	2.1
71.04997	1.0
73.06562	1.1
79.05515	2.4
81.03431	1.4
81.07068	21.5
83.08630	5.4
85.06554	2.1
87.08126	1.2
91.05490	0.9
93.07059	7.6
95.04977	0.9
95.08614	30.3
95.09222	1.8
97.06544	2.4
97.10178	100.0
98.10507	2.2
98.22546	0.9
98.97587	10.2
98.98158	0.9
99.08111	1.3
101.06034	1.7
105.07030	5.2
105.34689	0.8
107.08606	8.1
108.08967	0.9
109.06527	1.8
109.10167	10.7
111.08073	1.5
111.11774	1.6
113.09654	1.3
116.98643	4.3
119.08606	4.7
121.06501	1.0
121.10168	7.2
123.08034	1.8
123.11731	7.1
125.09649	16.2
131.08566	1.1
133.10172	3.4
134.99655	1.2
135.08131	1.1
135.11691	4.0
137.09659	1.5
137.13261	2.5
139.11220	2.9
141.09137	1.8
143.10686	40.8
145.10242	1.0
147.11737	2.2
149.13298	3.5
151.07597	1.5
151.11218	1.3
151.14841	5.8
157.12268	2.5
159.11737	2.0
161.13283	5.3
163.11148	1.0
165.12808	2.1
167.14381	2.9
171.10181	4.4
172.94409	1.1
173.13292	1.1
175.14798	1.4
176.14383	1.4
177.05418	1.3
177.12823	2.2
179.14362	4.8
180.97852	1.3
187.14825	1.3
189.11241	8.1
195.13875	1.7
198.99014	1.0
221.19093	1.0
229.19440	1.1
232.96558	1.1
250.97527	1.0
256.96414	1.8
274.97516	11.4
275.23645	1.3
277.21674	2.0
285.22086	1.1
292.98456	5.1
303.23230	9.1
309.24146	1.6
321.24255	47.8
322.24594	3.1
338.96964	1.2
339.18018	1.0
339.25403	8.6
353.35907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	1.2
55.05513	46.3
56.96570	1.4
57.03432	2.8
57.07073	3.1
59.04984	0.9
67.05509	6.7
69.03428	2.2
69.06707	1.1
69.07072	18.0
69.50482	2.5
70.99052	0.5
71.05000	0.8
71.08638	1.3
79.05498	2.6
81.07059	24.0
83.04996	1.7
83.08611	4.5
85.06575	2.7
87.08089	0.5
91.05492	2.1
93.07050	7.1
95.04973	1.6
95.08613	30.6
96.08989	0.9
97.06539	2.1
97.10174	100.0
98.10504	2.2
98.66959	0.6
98.97588	8.2
99.08108	2.1
101.06010	2.4
104.33781	0.6
105.07030	3.9
107.08601	7.5
109.06524	2.1
109.10159	10.2
111.08080	2.2
111.11728	0.9
116.98643	4.0
119.08572	4.5
121.10151	6.0
123.08068	2.3
123.11710	6.5
125.09635	17.6
131.08592	1.3
133.10135	3.4
134.99651	1.3
135.08051	0.8
135.11717	2.7
137.09584	1.2
137.13268	1.5
139.07491	0.6
139.11191	3.6
141.09129	1.4
143.10678	34.6
144.11020	1.1
145.02802	0.6
145.10152	1.6
146.67305	0.6
147.11653	2.9
149.02386	0.6
149.09633	0.6
149.13274	4.3
151.07504	0.7
151.11215	1.5
151.14836	4.7
153.12785	0.7
155.10652	0.7
157.12204	1.4
159.11708	1.9
161.13231	4.0
163.11221	1.2
165.12785	1.9
167.14299	3.1
169.08562	0.5
171.10175	3.9
173.13278	1.4
175.14784	1.3
176.14391	1.0
177.05519	1.2
177.12769	1.8
179.14334	5.2
180.97916	0.8
183.10376	0.5
187.14839	1.8
189.11252	9.2
189.12827	1.0
189.16345	1.1
193.12465	0.6
195.13837	1.5
198.99046	1.0
201.16403	0.7
205.15862	1.2
232.96552	0.6
247.46014	0.6
256.96481	1.9
274.97491	10.8
275.00351	0.7
275.23792	1.7
277.21652	1.3
285.22147	1.1
292.98584	6.4
293.24741	1.8
297.99081	1.1
303.23267	7.7
309.24350	1.2
321.24255	44.6
322.24838	3.2
322.28107	0.6
339.13022	0.9
339.25330	8.4
340.19266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.6
69.03419	6.3
69.07069	14.6
71.44418	4.9
72.24887	5.1
75.65302	4.3
79.05487	8.4
81.03404	6.7
81.07048	17.8
85.02919	6.1
92.05804	5.6
95.04961	7.7
97.02898	6.5
97.06553	7.9
97.10170	10.0
97.40862	4.7
98.97566	11.0
110.06038	7.3
115.07567	13.5
115.35210	4.9
116.98594	9.0
119.04941	14.9
120.05270	8.3
122.06023	16.9
124.07582	14.6
125.07894	5.0
125.09635	20.2
126.01624	4.5
127.03924	4.7
133.02869	8.9
134.05972	9.0
136.07593	49.4
137.07906	16.9
140.07086	4.9
143.07079	28.8
143.10666	62.6
147.04404	41.2
148.04753	40.1
152.07086	63.1
153.07419	32.2
160.07558	28.3
161.08101	27.7
164.07065	69.0
165.07431	35.9
170.08047	12.1
170.89331	4.2
178.04976	52.3
178.08632	16.9
179.03387	100.0
182.08131	26.5
183.08492	7.2
184.09877	4.6
220.09679	6.1
246.01160	4.4
274.39578	4.5
302.57684	5.6
303.13275	9.2
304.13977	25.6
309.20294	4.6
322.14984	8.3
340.07828	35.3
340.13577	29.4
341.08148	9.1
341.12128	18.1
358.08078	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	340.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05511	19.9
61.02923	0.9
62.95586	0.9
62.96551	0.7
67.05499	3.5
69.03413	4.1
69.07063	3.4
69.31391	3.7
73.08939	0.8
79.05484	2.1
80.38243	0.8
81.03435	0.9
81.07049	4.9
82.20447	0.9
83.04980	2.1
83.08616	17.6
83.22504	0.8
85.02918	6.4
85.06526	0.9
87.04449	1.0
97.02888	1.4
97.10171	40.3
98.10492	1.0
98.23400	2.1
107.08571	6.4
115.04025	0.8
124.07616	1.2
125.09634	55.3
126.09946	1.5
127.03973	1.1
137.05992	1.4
143.10677	100.0
144.11023	2.0
145.25310	0.9
147.04524	1.1
161.11714	10.9
165.09135	1.1
341.15811	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	340.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47232	0.5
53.57327	0.6
53.65286	0.5
56.96566	11.7
57.99488	0.5
61.99874	0.5
66.60089	0.5
69.19318	3.2
71.95269	1.1
72.61770	0.5
83.77475	0.5
93.76446	0.5
98.97577	100.0
99.97890	0.7
114.95554	1.3
116.98621	41.7
132.96541	1.0
134.99664	10.5
156.96613	2.8
172.94395	0.9
174.97650	17.1
175.97734	0.6
177.00877	0.6
180.97861	0.8
190.95586	2.1
192.98717	8.9
198.97513	3.9
208.96588	1.0
214.95610	9.7
215.95654	0.8
216.98698	46.9
217.98885	2.6
219.02016	1.7
232.96667	14.8
233.96829	1.6
234.99754	53.4
235.99858	2.9
238.95560	0.7
240.00302	0.8
240.98621	2.4
250.97719	7.1
253.00679	1.2
256.96671	25.3
257.96817	1.8
258.01343	0.7
258.99753	25.0
259.99902	2.3
261.02991	0.9
263.02884	0.7
274.97678	43.1
275.97879	2.6
276.97610	1.2
277.00800	29.0
278.00989	1.8
279.00662	1.3
280.96823	1.9
292.98676	10.0
293.98883	0.9
298.97733	68.2
299.97864	8.2
300.01471	0.9
300.02023	0.7
300.97980	0.6
316.98798	87.3
317.98892	9.0
322.99088	1.3
335.00003	2.5
335.92517	0.6
340.00394	1.7
340.94601	1.0
340.98788	28.0
341.98953	3.3
358.99835	54.0
359.99966	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	341.0871
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.54757	0.3
59.04991	0.3
61.02929	0.5
68.07357	0.2
69.03429	1.1
73.04749	0.4
81.03438	0.6
81.07073	0.3
84.08143	0.7
85.02917	2.1
87.04459	0.4
91.05791	0.6
95.04988	0.4
97.02898	0.7
99.04461	0.3
100.77895	0.3
109.02851	0.5
117.03379	0.6
119.29539	0.3
121.69377	0.3
123.04432	9.5
124.04759	0.3
127.03914	0.4
133.02849	7.7
134.03316	0.3
135.04399	1.4
137.05991	0.4
147.04420	0.5
151.03897	3.8
160.07533	0.4
161.02263	0.3
161.07878	0.8
168.36243	0.2
179.03389	100.0
180.03755	3.3
180.06464	0.4
247.78812	0.3
249.12041	0.3
323.12094	0.4
341.02667	0.3
341.08414	1.9
341.12137	4.3
359.03021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
54.02819	0.2
55.01886	0.3
59.04997	0.3
68.99784	0.5
69.03432	1.5
69.94074	0.6
71.04988	0.4
71.17708	0.2
81.03420	1.8
81.12504	0.2
82.28165	0.2
85.02903	0.6
91.05836	0.3
95.04961	0.3
98.23425	0.2
99.04457	0.5
111.04445	0.7
115.67129	0.2
123.04350	0.3
127.03923	0.3
133.02853	0.2
133.07585	0.3
135.04387	0.4
137.02316	0.5
147.04430	0.8
155.03406	0.4
161.02386	0.2
161.07077	0.8
163.03883	0.8
163.08661	0.3
164.04277	0.3
165.04366	0.4
170.12967	0.2
175.03893	0.3
178.29874	0.2
179.03389	100.0
180.03725	4.0
180.10164	0.7
189.06638	0.6
190.95464	0.2
191.08148	0.4
203.03389	0.5
204.03720	0.3
205.04004	0.8
207.07648	7.8
208.07919	0.3
264.01154	0.2
323.12396	2.7
341.08160	0.4
341.12939	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	341.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45354	0.5
53.03931	1.7
53.62269	0.6
55.01866	1.6
57.03430	2.6
57.07064	0.5
61.02936	0.7
64.25607	0.5
67.05478	0.6
69.03436	13.7
71.01361	1.2
71.04996	4.4
73.02923	1.0
73.04763	0.7
79.05511	1.1
81.03424	13.7
81.07054	1.2
85.02899	1.8
85.06557	0.7
87.04453	0.7
91.05790	1.2
95.04950	1.3
97.02908	2.5
98.22891	0.8
99.04470	3.5
99.08109	1.5
106.06557	2.0
109.06549	0.9
117.05472	0.6
117.09132	6.4
118.06537	1.1
123.04454	1.0
127.07563	6.3
129.19701	0.5
133.02831	1.3
133.07648	3.8
135.09198	1.8
137.05957	0.6
145.07585	2.0
145.08626	2.3
146.06012	0.7
146.08421	1.8
147.09186	2.1
161.07101	39.4
162.07541	1.2
163.08562	3.7
163.09698	1.6
173.07130	9.2
175.08655	2.7
176.05832	0.7
178.08649	0.6
179.03400	13.2
185.07167	0.6
187.08546	0.9
189.06612	18.7
189.08330	0.9
191.08165	21.9
201.10362	0.6
203.08128	2.1
207.07664	40.5
208.07962	1.7
213.10350	0.9
217.09776	0.8
231.07704	1.0
236.67619	0.7
241.09785	1.4
257.09164	0.7
259.10855	1.7
277.11908	3.4
287.10263	3.3
295.12875	7.6
296.12778	0.6
305.11328	10.3
323.12393	100.0
324.12762	5.4
334.14047	0.7
341.12292	10.4
359.02814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
67.05498	0.4
69.07069	0.5
69.82467	1.1
79.05508	0.5
81.07063	0.5
85.02888	0.4
86.79774	0.3
93.07018	0.5
95.08604	0.7
100.11247	0.4
105.07064	0.4
107.08607	0.7
109.10148	0.5
119.08605	0.5
121.10146	0.4
123.07999	0.4
128.10757	0.4
131.08505	0.3
136.07491	0.4
137.06006	0.9
140.10710	0.5
145.81248	0.4
151.11253	0.3
164.07059	0.8
177.05472	0.6
178.05898	0.5
179.10379	0.8
179.11794	0.5
181.05101	0.3
185.04192	0.6
187.07547	0.4
192.06546	1.6
197.12849	2.4
203.05191	0.5
210.07590	2.7
251.85481	0.3
257.15106	0.4
296.14923	1.5
324.14313	0.3
341.15701	100.0
342.16061	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	341.1574
Annotation	His Gln Gly
Peak:m/z	Relative Intensity
57.41637	0.3
88.46454	0.3
95.43025	0.2
145.02776	0.4
173.74307	0.3
178.05759	0.4
179.05933	0.4
179.10440	0.9
180.04816	0.5
185.04124	0.5
318.09204	0.3
333.46988	0.3
341.15707	100.0
342.16098	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	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.05512	9.8
56.25079	0.5
57.03433	1.3
57.07077	4.3
65.03934	1.3
67.05161	1.1
67.05503	16.3
69.03427	6.6
69.07069	6.0
69.86357	2.0
70.07191	0.6
71.05000	3.1
71.08632	11.7
77.03950	0.8
78.56420	0.6
79.05043	0.9
79.05489	13.4
81.07050	16.4
83.04978	3.8
83.08607	1.9
85.06538	2.6
91.05476	11.5
93.07044	22.1
94.07328	0.8
95.04961	7.8
95.08604	13.6
95.09210	0.7
96.05743	4.1
97.02893	13.4
97.06516	5.4
97.10163	1.1
98.48993	0.6
98.97580	1.1
99.08099	7.0
103.05480	0.8
105.04489	1.0
105.07021	7.8
106.07338	0.5
107.04959	2.0
107.08586	6.0
109.06508	6.3
109.10158	3.9
110.07285	1.0
111.04434	15.9
111.08073	1.9
113.05997	4.2
116.98632	0.6
117.07056	1.1
119.08579	5.4
121.06500	11.4
121.10142	12.0
123.04408	5.2
123.08082	6.3
123.11718	2.2
124.05226	3.0
125.05987	1.8
125.09645	0.7
129.07004	1.4
131.08560	11.7
132.08839	0.6
133.10110	2.4
133.61710	0.6
135.08076	3.3
135.11646	0.9
137.05971	1.9
137.09621	2.6
139.11153	2.0
143.08588	1.5
145.10115	1.7
147.08044	2.3
147.11627	1.1
149.02332	1.8
149.09615	13.2
149.10808	1.0
149.13234	0.6
151.07585	1.2
151.11147	1.2
157.10072	0.7
161.13260	3.1
163.11157	2.9
165.12756	7.7
167.10675	3.5
171.11678	1.3
173.09616	0.6
177.12761	1.4
179.10657	0.7
179.14270	2.6
180.11398	1.4
181.12230	100.0
182.12572	5.0
187.14745	0.7
189.12726	1.6
191.14294	2.1
193.04944	2.0
193.12190	1.1
199.11139	0.8
203.01999	0.6
207.13771	2.5
208.40633	0.6
217.08601	0.7
222.12511	1.1
225.14767	1.1
243.83696	0.6
253.14299	1.5
253.75307	0.7
259.20447	0.7
263.16458	0.9
277.21445	1.3
287.19824	1.0
305.21091	8.8
306.21863	1.4
307.22699	2.8
323.22046	2.9
341.23080	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	341.2689
Annotation	1,6,10-Phytatriene-3,5,14,15-tetral
Peak:m/z	Relative Intensity
53.03941	2.0
55.05512	19.6
57.03441	1.9
57.07075	4.7
59.04998	1.4
65.03930	1.9
67.05505	30.1
69.03429	3.4
69.07066	36.4
69.79921	4.0
71.04999	2.2
73.06558	2.3
78.07693	1.5
79.05497	16.2
81.07056	100.0
82.07352	1.9
83.04974	2.9
83.08614	10.9
85.06539	7.0
91.05474	6.9
93.07043	36.6
93.07603	2.4
95.04960	4.5
95.08606	93.8
96.08967	2.5
97.06529	5.4
97.10170	20.4
98.97603	1.8
99.08116	2.8
105.07042	12.9
107.08598	46.2
109.06524	3.6
109.10144	16.9
111.08074	4.1
111.11710	6.9
119.08569	7.8
121.10143	23.8
123.08089	2.2
123.11707	52.2
125.09653	1.6
133.10094	9.6
135.11691	15.8
137.09601	1.5
137.13232	16.2
137.82227	1.4
139.11162	13.1
141.12730	1.4
147.11693	8.1
149.13248	43.5
151.11151	4.2
153.12762	6.6
157.12257	9.5
161.13277	5.0
163.14854	7.2
165.12799	2.0
167.14433	1.7
169.12305	1.9
172.03929	2.4
175.14874	3.9
177.16414	1.5
187.13307	6.1
189.16431	2.1
203.12737	1.8
203.17958	2.6
204.06535	2.7
209.15443	2.8
213.16487	1.6
223.16969	1.6
229.46405	1.5
235.16899	1.5
249.18544	2.8
276.97772	1.6
277.25320	5.1
287.23764	3.6
305.24725	42.8
323.25772	6.0
341.15509	2.5
341.19302	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	341.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	48.7
57.07077	47.1
61.74887	1.1
67.05508	15.4
67.28901	1.0
69.03430	2.1
69.07067	100.0
70.07379	1.8
71.05005	1.4
71.08635	35.5
72.08125	1.2
74.61533	1.0
79.05493	6.6
81.07056	49.1
83.04952	3.1
83.08620	71.8
85.06552	7.3
85.10180	20.0
91.05494	4.7
93.07053	15.9
95.08606	44.1
95.09218	1.9
97.06525	11.1
97.10167	46.9
98.10527	1.2
99.08095	2.1
99.11713	2.0
101.06015	3.9
105.07030	11.4
107.08595	18.8
109.06513	3.8
109.10155	25.9
111.08088	5.1
111.11716	28.4
113.13300	1.9
115.07566	8.3
118.41311	1.0
119.08588	13.7
121.10152	13.7
123.08086	5.9
123.11716	13.9
125.09632	3.3
125.13270	13.3
125.52973	1.1
127.07552	6.9
129.09111	6.5
133.10144	12.7
135.11691	9.7
137.09596	5.9
137.13260	7.3
139.11203	4.3
139.14792	4.9
141.09070	4.2
143.10674	3.1
147.11687	13.1
149.13234	9.7
150.18799	1.2
151.11177	9.4
151.14821	3.7
153.12755	4.3
155.10687	4.1
157.12251	1.9
161.13257	15.3
163.14822	5.5
165.12755	10.3
167.14328	4.7
169.12210	4.1
171.13794	3.5
175.14822	5.1
177.16374	3.6
179.14301	14.9
179.17865	1.3
181.15852	2.5
183.13753	7.0
185.15392	2.0
189.16277	2.6
191.17921	2.2
193.15916	6.0
193.19563	1.9
195.17432	1.3
197.15361	4.3
203.17918	2.2
205.19522	3.2
207.17458	3.1
211.16800	1.9
217.19406	3.0
221.18887	2.8
223.20578	2.5
231.21039	3.9
235.20505	2.6
239.20033	1.2
241.21600	2.0
249.22147	2.7
261.25848	1.4
263.27417	5.5
287.27271	10.3
305.28473	9.2
323.29477	2.7
341.26639	5.4
341.30426	2.0
342.37289	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	342.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
54.03482	0.9
55.01876	0.4
55.05492	0.4
56.05033	2.7
69.03386	0.6
69.07076	3.5
69.26392	2.4
69.37775	0.4
70.06599	0.6
74.06091	0.7
79.05490	0.5
80.04987	1.4
80.05483	0.5
82.02956	2.7
83.06104	1.2
84.04498	1.8
85.02897	0.7
86.09706	2.5
90.86268	0.6
93.07063	0.8
94.02915	1.3
94.06552	0.6
95.04993	0.5
95.08608	0.8
96.04515	0.9
96.08139	1.1
97.02851	0.6
97.07654	1.8
98.23049	1.9
99.05585	5.7
102.05522	1.6
105.06993	0.8
107.07372	0.6
107.08592	1.5
108.04510	2.1
111.05578	26.9
120.06585	0.8
121.03998	0.6
122.09673	5.2
125.07127	14.5
126.05525	5.5
126.07399	0.5
127.05051	2.8
135.08072	1.6
137.02316	0.5
138.05457	0.8
139.05042	43.6
139.12302	3.6
140.05479	0.6
141.21288	0.4
142.03235	0.6
147.04414	0.9
148.04782	0.8
150.09166	7.4
152.10699	2.4
153.06613	3.6
153.09061	0.4
163.03918	0.8
167.03355	0.6
167.11812	19.4
167.13229	1.0
168.10187	1.2
168.12196	0.5
177.10173	0.6
180.03773	0.6
180.10088	0.6
181.04938	0.6
190.60289	0.5
195.11308	100.0
196.09779	0.9
196.11613	3.7
223.07236	1.0
223.10789	7.1
241.11928	0.6
257.34662	0.4
278.15143	1.3
279.13422	2.2
296.16193	2.6
324.15552	26.8
325.15750	1.6
342.11887	0.7
342.16348	0.9
342.27283	0.5
343.13681	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	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.2
61.02919	5.6
67.05505	12.5
69.03426	2.2
69.64325	7.5
71.01360	6.5
71.04998	22.0
85.02883	2.7
85.06544	85.3
89.02342	2.5
95.04961	6.1
98.23386	4.6
103.03946	28.4
110.53907	2.1
113.06005	9.6
127.07556	100.0
128.07927	3.5
131.07010	11.3
145.08612	35.4
163.09654	82.4
164.09955	2.5
249.78275	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
56.73439	4.6
56.96566	19.7
57.03443	13.6
59.04984	6.6
61.02927	13.8
65.95305	4.2
67.05506	16.2
69.03440	40.7
69.07073	7.0
71.01347	9.8
71.05000	60.2
81.03419	16.2
85.02908	98.2
85.06556	68.1
86.03265	6.6
87.04518	5.2
89.02387	24.4
91.03969	8.2
95.04970	21.0
97.02905	29.3
98.97604	38.3
103.03933	34.0
108.99767	7.5
109.02888	11.3
109.49854	6.8
110.97511	5.7
113.06016	68.0
116.98615	17.2
118.50348	6.4
119.00164	5.9
122.07195	6.4
123.01308	9.1
123.51438	6.7
124.00284	8.4
127.03916	33.5
127.07564	91.2
131.07045	64.6
131.99977	7.6
132.01837	17.8
132.50146	6.2
132.51952	9.4
132.99881	6.6
133.01689	7.4
137.02356	5.7
137.51106	5.3
139.00758	6.2
139.50871	8.5
144.01778	7.2
144.06599	5.6
144.51923	7.5
145.01726	8.6
145.04956	50.0
145.08586	21.4
145.52750	6.3
149.08105	71.8
152.01610	6.1
152.51523	5.0
153.02371	11.3
153.52441	21.3
154.02248	16.7
158.51552	6.7
159.52483	8.8
162.02951	5.6
163.03999	6.3
163.06061	14.8
163.09676	69.6
165.02380	10.2
165.52463	14.5
166.02226	6.0
167.52328	6.2
170.51691	4.8
171.02507	4.9
172.02315	5.7
174.02904	15.5
174.53001	12.3
175.02892	16.1
180.08752	19.3
180.52933	8.2
186.53047	9.7
187.02771	15.9
188.04654	8.1
188.54518	8.6
190.03223	4.8
191.53960	9.9
195.03438	5.8
195.53479	11.5
196.03447	8.9
198.97678	6.1
200.54640	11.4
201.04405	17.0
203.05608	7.4
204.03894	8.7
204.54047	13.4
205.03902	14.5
210.04784	4.9
216.54160	5.0
216.98749	6.6
217.03923	6.2
217.54964	5.8
217.98907	6.5
218.04602	9.6
218.98521	6.5
221.55121	10.3
225.04419	10.3
225.54530	8.0
226.04451	24.4
226.55090	4.4
236.00175	6.5
236.55522	5.3
238.04250	5.4
246.55095	7.4
247.05112	14.1
251.56201	25.2
252.05988	27.5
258.99814	9.9
260.06616	18.0
260.56732	92.5
261.06543	81.7
261.56781	9.9
262.06204	5.2
263.01282	6.1
267.55457	7.0
269.57162	7.2
272.56708	22.4
273.06549	15.2
277.00830	13.3
281.57321	14.1
282.07111	8.5
341.59351	100.0
342.09088	86.6
342.12741	8.9
342.59402	22.7
343.09506	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
61.02938	7.0
67.05503	11.2
68.19080	3.1
71.01370	4.3
71.04990	25.6
71.13631	3.3
85.06540	99.3
89.02380	3.3
95.04967	8.9
100.38607	2.6
103.03944	34.1
103.33939	2.9
113.06041	12.9
127.07557	100.0
128.07941	2.8
131.07045	11.1
134.06064	2.6
145.08597	37.1
163.09651	89.1
164.09998	3.0
219.47206	2.8
298.67816	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	40.1
57.03447	9.4
57.07079	12.7
67.05504	83.5
69.07068	75.6
69.16581	64.9
70.95383	8.6
71.04971	11.2
79.05495	52.9
81.07060	100.0
83.04992	13.4
83.08611	26.6
85.06543	17.9
91.05491	43.5
93.07038	50.2
95.04975	33.1
95.08614	61.0
97.06539	33.1
98.22711	22.6
98.97587	16.8
105.07051	54.5
107.08595	24.2
109.06523	16.5
109.10152	18.5
111.08076	10.5
117.07031	18.0
119.08592	40.2
121.10149	20.0
123.08064	10.9
131.08600	28.2
133.10155	29.4
135.11684	32.6
137.09593	16.8
145.10152	25.3
147.11705	22.6
149.09676	11.8
149.13309	20.7
158.08687	10.3
159.11662	20.7
173.13232	13.1
175.89684	10.5
181.12247	28.4
195.13817	14.2
223.40024	9.7
230.24800	26.0
240.23247	18.5
275.20129	50.8
287.44217	9.6
289.21445	17.6
327.84851	8.8
342.37363	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
50.40868	0.3
53.03950	2.4
55.01874	0.8
55.05525	0.3
57.03427	1.2
57.07086	0.3
61.02924	0.5
63.38470	0.3
65.03944	4.7
66.15166	0.2
67.05518	2.3
69.03431	6.6
69.07060	0.3
69.57900	0.7
69.58277	0.5
71.04992	1.1
73.02911	0.6
79.05494	0.8
81.03419	15.3
81.07050	0.3
82.03770	0.4
82.04193	1.6
85.02908	8.8
89.06042	0.7
91.05472	0.6
93.03405	1.3
95.04967	3.0
97.02888	3.0
97.06556	1.3
99.04459	2.0
101.02369	0.4
101.09669	0.3
105.03416	0.4
105.04510	0.5
107.07081	0.5
107.08604	1.1
108.02108	0.8
109.02882	7.1
110.03668	2.2
111.04430	1.2
113.36001	0.3
121.04047	0.3
121.06541	0.4
123.00795	0.3
123.04420	1.8
125.02379	0.5
125.05986	1.1
127.03914	2.5
135.08060	1.2
137.02339	0.3
138.03087	1.7
140.04684	12.3
140.05792	0.7
142.02605	0.8
145.04953	0.5
153.05489	3.7
155.07039	4.4
163.03935	0.5
163.07515	0.4
163.11255	0.5
163.13298	1.2
164.13593	0.8
171.06526	3.8
181.04958	100.0
182.05292	2.7
184.03609	0.3
199.06012	4.6
203.05174	0.3
283.08130	0.5
306.93900	0.3
325.09174	18.7
326.09549	0.9
343.10220	2.7
343.13745	0.6
343.17233	6.7
343.20825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01867	1.7
55.05507	1.6
57.03440	3.3
57.07069	0.9
61.02934	4.2
67.05497	1.9
69.03431	12.0
69.07074	0.8
69.17904	4.3
71.04993	2.3
73.02918	1.6
79.05506	4.7
81.03418	4.9
81.07065	7.9
83.04983	6.0
85.02907	30.1
85.06529	1.1
86.09705	0.8
87.04477	1.6
91.03957	1.8
91.05502	3.1
93.07050	8.6
95.04974	17.6
95.08598	1.7
97.02905	9.2
97.06519	2.3
99.04449	1.8
103.03913	1.2
105.04485	0.7
105.07021	8.3
107.04956	3.5
107.08604	10.3
109.02883	3.8
109.06513	2.8
109.10162	0.8
115.03937	0.8
117.07033	2.6
119.08572	3.9
121.06502	3.3
121.10154	11.1
123.08067	1.6
125.05997	10.2
127.03907	7.4
130.07770	2.4
133.06480	0.8
135.08041	2.0
135.11681	7.9
137.05986	1.0
137.09595	0.8
143.08589	0.9
145.04974	7.8
145.10138	17.3
147.04405	1.1
147.08018	1.6
148.08827	0.6
153.09071	0.8
159.11623	0.7
161.09654	1.6
163.07394	2.1
163.11183	100.0
164.11562	3.4
165.09116	1.8
165.12758	0.8
167.07028	1.2
175.11214	1.1
181.08354	2.8
181.12230	15.5
183.39934	0.7
187.11189	1.3
201.03636	0.7
203.05280	3.6
205.12297	1.4
223.13332	1.4
259.11719	0.6
289.14481	0.6
307.15283	0.9
325.16202	1.0
343.13647	17.0
343.17426	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01867	1.7
55.05507	1.6
57.03440	3.3
57.07069	0.9
61.02934	4.2
67.05497	1.9
69.03431	12.0
69.07074	0.8
69.17904	4.3
71.04993	2.3
73.02918	1.6
79.05506	4.7
81.03418	4.9
81.07065	7.9
83.04983	6.0
85.02907	30.1
85.06529	1.1
86.09705	0.8
87.04477	1.6
91.03957	1.8
91.05502	3.1
93.07050	8.6
95.04974	17.6
95.08598	1.7
97.02905	9.2
97.06519	2.3
99.04449	1.8
103.03913	1.2
105.04485	0.7
105.07021	8.3
107.04956	3.5
107.08604	10.3
109.02883	3.8
109.06513	2.8
109.10162	0.8
115.03937	0.8
117.07033	2.6
119.08572	3.9
121.06502	3.3
121.10154	11.1
123.08067	1.6
125.05997	10.2
127.03907	7.4
130.07770	2.4
133.06480	0.8
135.08041	2.0
135.11681	7.9
137.05986	1.0
137.09595	0.8
143.08589	0.9
145.04974	7.8
145.10138	17.3
147.04405	1.1
147.08018	1.6
148.08827	0.6
153.09071	0.8
159.11623	0.7
161.09654	1.6
163.07394	2.1
163.11183	100.0
164.11562	3.4
165.09116	1.8
165.12758	0.8
167.07028	1.2
175.11214	1.1
181.08354	2.8
181.12230	15.5
183.39934	0.7
187.11189	1.3
201.03636	0.7
203.05280	3.6
205.12297	1.4
223.13332	1.4
259.11719	0.6
289.14481	0.6
307.15283	0.9
325.16202	1.0
343.13647	17.0
343.17426	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03954	4.7
54.89691	2.9
55.01871	6.5
55.05505	12.4
57.03432	7.9
57.07068	8.1
59.05005	5.2
67.05507	21.3
67.15539	2.7
69.03443	4.3
69.07057	5.5
71.05004	18.1
79.05491	16.8
81.03403	3.4
81.07059	25.6
83.04990	3.8
83.08557	2.8
86.36346	2.5
87.04456	9.8
91.05475	29.6
93.07045	51.0
95.04974	43.3
95.08611	75.1
97.06527	16.5
103.05449	4.2
105.03364	5.2
105.04503	2.7
105.07039	63.8
107.04926	3.7
107.08601	48.6
109.06532	12.1
109.10171	4.9
111.08138	3.4
115.05442	6.2
116.53715	3.0
117.07009	27.2
119.08596	23.1
121.06499	15.2
121.10163	15.3
123.08068	25.7
129.06995	5.9
130.07796	11.0
131.08601	7.7
133.06503	5.6
133.10143	11.7
135.08073	27.3
135.11697	10.7
137.09622	7.2
142.07817	4.3
143.08582	10.4
145.10123	67.6
147.08058	8.2
147.11649	4.2
149.09622	9.1
151.07526	42.6
153.09042	4.1
156.09326	3.7
157.10127	7.7
159.08072	3.9
159.11725	8.1
161.09630	4.6
163.07565	5.4
163.11185	45.4
165.09119	10.2
171.11729	5.3
175.11226	7.2
177.09094	5.0
179.07069	3.7
179.29108	3.2
181.10237	3.4
183.11713	2.9
187.11162	6.4
189.12762	9.8
203.14311	6.4
207.13834	5.2
215.14197	3.7
221.15358	21.7
221.84265	3.2
240.23116	14.7
241.15907	2.8
259.16425	3.0
263.16473	8.3
269.15396	2.6
286.19327	2.9
325.21567	11.0
334.41861	3.2
343.11746	5.3
343.22681	100.0
344.22980	5.6
344.31580	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	343.2274
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03948	3.5
55.01873	5.9
55.05513	14.7
57.03435	6.2
57.07071	7.3
59.04998	5.5
66.23725	1.8
67.05517	25.5
69.03444	8.8
69.07078	4.4
71.05002	13.8
71.46893	1.7
71.92142	1.7
74.42416	2.2
79.05507	20.2
81.03414	2.4
81.07067	22.8
83.04991	5.3
83.08649	1.8
85.06540	3.1
89.20130	1.7
91.05499	29.3
93.07055	58.4
95.04981	46.6
95.08614	64.4
97.06544	11.7
98.23425	5.2
98.97637	2.2
102.96924	1.9
103.05470	2.1
105.03412	3.4
105.04585	1.7
105.06347	3.5
105.07041	66.3
105.17029	1.9
107.04958	3.1
107.08604	42.1
109.06536	13.0
109.10185	3.0
115.05470	6.1
117.07028	26.6
119.08599	26.8
121.06518	15.1
121.10143	14.8
123.08089	19.8
128.06197	2.2
129.07004	4.8
130.07787	15.3
131.08563	6.6
133.06483	3.8
133.10165	12.9
135.08078	21.3
135.11694	14.7
137.05956	1.8
137.09657	5.0
141.07057	2.3
142.07794	3.0
143.08583	8.5
145.10132	68.5
146.10518	1.8
147.08044	11.7
147.11716	2.7
148.08727	2.0
149.09634	7.1
151.07567	38.8
153.07021	1.8
153.09157	4.1
156.09343	3.9
157.10147	7.4
159.08076	3.2
159.11714	8.5
161.09686	4.3
161.13281	5.3
163.07574	2.5
163.11198	54.2
165.06992	2.3
165.09175	15.6
167.08586	2.5
169.10126	4.7
171.11696	6.4
173.09612	3.5
173.13251	4.7
175.11224	4.9
177.09071	5.5
179.07100	4.3
181.10178	2.7
181.12343	3.2
182.10922	1.8
183.11690	2.7
185.09583	2.5
185.13254	3.4
187.11180	3.1
189.12805	7.7
191.14267	3.0
195.11696	2.8
197.13303	3.6
199.14932	2.0
203.14342	7.3
207.13715	3.7
209.13255	3.1
209.15349	4.2
215.14285	2.4
217.12196	3.2
217.15785	2.4
221.15370	26.5
223.15033	2.0
225.12834	2.7
240.23250	5.2
243.13750	2.3
243.54890	1.8
245.15253	2.6
249.16501	2.4
263.16293	8.4
269.15430	3.3
274.19244	1.9
282.27896	2.4
286.19385	3.7
287.16696	2.0
287.20120	1.9
311.23618	4.2
313.06970	2.7
325.21771	9.8
325.25061	2.3
328.20453	2.1
343.11639	5.1
343.18976	6.7
343.22696	100.0
343.26001	4.7
344.23004	6.2
355.90204	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.64315	2.5
54.03410	2.6
55.01865	10.3
55.05511	22.6
57.03436	7.9
57.07072	9.0
59.04985	7.1
64.36620	2.4
67.05503	33.3
69.03432	8.6
69.07063	8.9
69.33395	10.9
71.04993	18.9
71.17346	2.7
79.05495	28.1
81.07052	31.2
83.04981	7.3
83.08611	4.6
85.06558	4.6
87.04478	2.6
91.05481	39.7
93.07050	76.6
94.07363	3.0
95.04970	57.2
95.05542	5.6
95.08607	100.0
96.06882	2.7
97.06517	18.4
103.05465	3.1
105.03395	6.1
105.04561	3.7
105.07034	93.6
106.07378	3.4
107.04921	3.8
107.08592	64.1
109.06528	19.5
109.10136	6.4
115.05442	4.9
115.07616	4.2
117.07027	30.2
119.08581	26.4
121.06522	20.4
121.10126	20.1
122.07308	3.6
123.08080	30.6
128.06213	4.2
129.06981	7.4
130.07790	22.4
131.08589	13.7
133.06473	7.6
133.10143	18.3
135.08061	24.7
135.11702	12.5
137.09648	5.3
142.07751	6.1
143.08554	12.5
145.10121	78.2
146.10550	3.5
147.08063	17.3
147.11687	9.2
149.09630	8.0
151.07547	52.0
155.08536	4.6
157.10149	11.7
159.08054	3.9
159.11673	8.3
161.09596	6.7
161.13228	3.2
163.07594	5.9
163.11180	43.9
165.09114	11.8
169.10136	3.6
171.11708	7.3
173.09628	6.1
175.11215	7.6
177.09062	6.5
179.07036	3.1
181.12199	3.0
183.11711	4.4
187.11212	3.1
189.12749	8.7
191.10674	3.4
195.11575	2.8
197.13261	6.6
201.12813	3.9
201.66425	3.0
203.14397	6.7
207.13785	5.6
209.15242	2.9
215.14406	3.0
217.12192	6.2
221.15385	17.5
233.15207	3.6
240.23293	10.1
278.96866	6.2
286.19327	4.6
313.06918	3.5
325.21616	8.3
343.22681	78.3
344.22568	3.5
344.31851	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	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01879	1.1
55.05518	0.5
57.03454	2.6
61.02939	4.4
67.12134	0.4
69.03439	11.1
69.34061	0.5
71.05004	1.5
73.02923	1.6
81.03425	4.1
81.07061	0.6
81.57040	0.5
83.01350	0.7
85.02912	25.9
87.04469	1.4
89.06047	4.1
89.21322	0.4
91.03965	1.7
91.05481	0.7
93.53528	0.5
95.04971	3.7
97.02903	10.6
98.23491	1.4
99.04457	1.4
100.11264	0.5
107.08522	0.5
109.02902	3.0
109.05265	0.9
119.04979	1.8
122.06036	100.0
123.06371	1.8
127.03936	6.6
133.05185	0.6
133.08630	2.6
135.08070	0.8
136.07549	1.0
145.04976	3.7
146.06012	0.5
147.04414	14.1
153.01866	1.0
162.05379	0.6
164.07076	1.6
165.05502	7.0
175.07544	0.7
177.05519	1.2
177.11209	1.1
177.12656	0.6
182.08141	84.5
183.08597	2.4
188.84491	0.5
194.08176	1.1
203.05402	0.5
203.07082	1.3
206.08160	1.0
249.07559	2.4
266.10300	0.9
308.11108	0.8
309.09744	0.6
326.12268	0.9
327.20078	1.4
344.13715	9.2
345.14941	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01875	0.5
57.03453	1.2
61.02933	1.3
65.03973	0.4
65.70993	0.3
69.03436	3.4
70.06619	0.3
70.50892	0.8
71.05019	0.4
73.02914	0.8
75.75356	0.4
81.03436	1.5
85.02908	16.1
91.05484	4.0
97.02888	2.9
97.59212	0.3
98.22823	0.4
99.04442	0.6
109.02901	1.8
114.42172	0.3
119.04949	16.4
123.04437	2.3
127.03921	2.6
145.04942	3.7
147.04414	100.0
148.04753	2.9
165.05484	50.8
166.05800	1.6
180.08681	1.8
182.08102	0.6
344.13385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03434	1.3
61.02920	1.1
65.03923	0.8
69.03443	2.7
69.38477	0.9
69.38866	1.1
71.05016	0.5
73.02923	0.6
73.17995	0.4
73.69733	0.4
80.98754	0.4
81.03438	1.3
85.02914	16.7
88.74047	0.4
91.03961	0.9
91.05488	3.8
94.29267	0.4
97.02912	3.8
98.22591	0.4
99.04438	0.7
105.26558	0.4
109.02870	1.5
115.03914	0.5
119.04957	17.7
123.04446	1.4
127.03950	2.5
145.04962	3.6
147.04422	100.0
148.04781	2.9
165.05495	51.9
166.05830	2.3
180.08731	1.7
182.08156	0.7
208.86887	0.4
309.09555	0.6
344.13324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57690	0.5
57.03425	1.1
61.02926	1.0
62.18628	0.5
65.03927	0.5
69.03432	3.1
70.50993	1.1
73.02950	0.8
74.62875	0.6
81.03412	1.9
85.02911	16.6
87.04479	0.6
91.05492	4.9
97.02904	3.8
104.04852	0.5
109.02872	1.5
119.04954	17.9
123.04414	2.3
127.03956	2.9
145.04979	3.1
147.04419	100.0
148.04741	3.2
165.05490	59.8
166.05832	2.0
180.08681	2.1
182.08220	0.9
205.41139	0.6
222.90665	0.5
243.48810	0.6
284.11758	0.6
302.53085	0.6
344.13632	1.6
344.62628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01859	7.4
55.05513	21.8
55.50280	5.0
57.03442	18.5
57.76027	4.4
59.79996	5.3
66.11993	4.6
67.05514	52.2
69.07069	83.7
69.69630	10.9
69.70013	10.7
71.04986	37.8
77.39060	4.9
79.05501	47.1
81.03422	47.7
81.07065	61.3
83.04958	5.8
85.06576	10.3
89.06049	11.4
91.05473	50.1
93.07040	59.2
95.04971	51.6
95.08638	31.8
95.09149	5.1
97.06536	100.0
99.08089	14.1
104.99270	90.4
105.07021	29.0
107.04965	13.8
107.08604	25.6
109.06523	22.5
109.10155	12.7
113.05981	7.2
115.07572	53.1
115.46146	6.0
117.07027	14.5
119.08604	21.1
121.06509	6.2
121.10155	11.4
123.08103	7.0
125.09636	6.1
131.08578	20.7
133.06471	7.4
133.08661	7.1
133.10144	17.8
135.08090	8.7
135.11713	17.2
145.10147	17.2
147.08054	6.9
147.11658	9.2
149.13303	16.2
155.08560	7.5
157.10170	10.7
159.11703	19.5
161.09654	11.1
163.11211	8.5
165.09122	9.3
171.11807	8.1
173.13295	7.5
175.11092	6.5
177.12811	17.0
191.14282	5.5
195.13846	11.5
217.15869	6.2
223.13345	11.7
233.15361	10.0
262.98074	63.6
273.18536	16.2
291.19370	9.7
314.07397	12.7
344.12115	10.0
345.15436	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	345.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
54.08956	0.2
55.06534	0.3
57.03429	0.3
62.13249	0.3
67.05505	0.8
69.03435	0.8
69.39312	0.6
69.39721	0.9
71.03873	0.3
79.01849	4.1
81.03418	0.6
83.04983	2.2
85.02914	1.8
86.03243	0.7
93.03396	0.5
95.04967	0.6
97.02910	1.3
107.01320	2.2
107.04986	0.8
109.02925	1.7
111.04472	1.9
114.89388	0.6
125.02356	3.0
127.03910	2.5
129.05495	0.9
129.61725	0.3
137.05971	1.2
139.03864	0.7
143.03407	5.5
147.04436	0.7
148.04762	1.3
153.01836	100.0
153.02895	4.8
154.02167	2.9
166.05861	0.5
171.02893	2.9
202.89124	0.4
327.07068	0.7
345.06039	0.3
345.09506	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0821
Annotation	Theogallin
Peak:m/z	Relative Intensity
50.89339	0.2
51.02372	0.3
52.37683	0.2
52.51163	0.2
54.38039	0.2
54.88859	0.1
55.01866	0.2
55.05491	0.3
65.03916	0.3
67.05495	0.7
68.99741	0.2
69.03426	0.8
71.42683	0.2
73.42429	0.2
79.01437	0.3
79.01859	3.8
81.03419	0.7
83.04991	1.7
85.02920	1.1
86.03238	0.3
90.80417	0.2
91.96668	0.2
93.03416	0.6
93.18607	0.2
94.69027	0.2
95.04971	0.5
97.02905	1.3
98.97592	0.6
106.15820	0.2
107.01317	1.6
107.04977	0.3
108.08143	0.3
109.02898	1.8
111.04451	1.6
118.08820	0.2
120.05273	0.3
125.02350	3.4
127.03941	2.0
128.98534	0.2
129.05492	0.6
137.05951	0.7
139.03902	0.7
143.03401	5.7
144.03688	0.2
147.04431	1.6
148.04752	2.1
153.01833	100.0
153.02884	4.8
154.02167	2.3
157.04962	0.3
163.03862	0.4
165.05428	1.0
166.05807	0.8
171.02881	2.1
172.94345	0.4
181.04950	0.2
190.95409	0.4
216.97028	0.3
223.54004	0.2
234.99846	0.3
260.95825	0.2
299.01508	0.4
301.03336	0.2
327.07193	1.1
344.98718	0.2
345.02478	0.8
345.08054	0.3
345.11600	0.6
346.15082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1549
Annotation	Grevilloside D
Peak:m/z	Relative Intensity
53.03951	3.1
55.01880	1.2
55.05512	3.5
57.03446	1.6
65.03952	0.6
67.05509	27.5
67.72829	0.5
69.03436	9.0
69.07079	2.9
69.88012	0.5
69.88345	1.3
71.05008	1.4
73.02937	1.2
79.05476	3.4
81.03423	23.3
81.07061	19.3
83.04993	1.1
85.02914	7.0
85.06575	0.6
85.45580	0.5
91.05487	3.0
93.07050	5.2
95.04977	5.0
95.08612	13.6
97.02906	4.3
97.06543	0.7
97.25486	0.5
98.23380	1.1
99.04456	3.1
99.08109	0.8
104.99267	3.2
105.07032	0.7
107.04939	1.0
107.08615	3.8
109.02885	15.3
109.06544	2.5
109.10165	63.3
110.02034	0.5
110.10516	1.0
111.04439	2.6
111.08085	0.7
119.08556	5.2
121.10160	2.2
123.04515	0.5
123.11714	0.9
125.06004	2.6
127.03920	7.0
135.08022	0.6
135.11732	0.6
137.09624	100.0
138.09949	3.4
145.04991	0.8
147.08070	2.9
149.13248	0.9
155.10681	10.3
165.09123	77.6
166.09489	3.4
181.75842	0.6
183.10158	6.4
201.11217	7.3
262.98145	1.6
281.13885	0.6
284.06763	0.6
291.12183	0.6
309.13373	5.6
327.14417	8.7
345.09601	3.6
345.14865	0.8
349.49744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1548
Annotation	Taxuside
Peak:m/z	Relative Intensity
52.84052	0.4
55.01872	0.6
55.05522	2.5
57.03442	1.3
61.02915	1.5
65.03930	0.5
67.05512	20.6
69.03069	0.4
69.03440	7.3
69.07075	1.4
71.04982	1.0
71.44389	0.5
72.08138	0.4
76.53165	0.4
79.05495	2.1
81.03427	2.5
81.07065	10.0
83.04976	0.5
85.02905	1.7
91.05486	1.8
93.07056	3.5
95.04970	4.1
95.08629	8.1
97.02901	3.2
99.04459	1.2
99.08133	0.5
107.05000	0.9
107.08593	2.3
109.02888	1.6
109.06536	2.0
109.10168	41.8
110.10471	1.3
117.07030	0.5
119.08602	3.3
121.10108	1.0
123.04425	0.4
125.05994	1.6
127.03931	3.1
127.07587	0.4
137.09630	100.0
138.09958	2.7
145.04985	0.5
147.08063	0.9
155.10690	7.9
165.09132	81.1
166.09479	3.4
183.10191	6.9
201.11238	7.4
309.13562	1.1
327.14435	1.4
345.06226	1.2
345.18893	19.5
346.19086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57820	10.9
66.12611	8.5
69.03448	15.6
69.58717	34.1
70.53679	9.6
77.36034	11.5
85.02938	66.2
97.02891	16.1
98.23315	29.0
103.03952	16.1
107.04970	37.6
124.67221	10.7
127.03947	10.9
131.04900	14.5
133.02855	30.8
145.04961	14.5
147.04401	20.6
150.03056	13.0
151.03824	11.0
153.05502	18.4
159.04428	26.1
175.03819	13.6
177.01840	29.8
178.02507	13.0
179.03398	18.6
180.08775	13.9
181.04948	87.6
187.03899	19.5
191.03423	41.6
193.04950	23.2
194.02071	10.6
195.02957	30.9
197.04495	29.6
204.04135	14.4
205.05054	37.9
209.04491	100.0
219.02917	17.9
219.06538	23.2
221.04482	40.3
223.02429	14.2
232.03996	14.7
233.04475	39.2
235.05991	18.0
245.04408	12.0
247.06046	45.8
251.05566	91.4
260.78708	10.7
263.05536	93.1
275.05557	59.5
281.06610	14.1
293.06531	66.7
311.07645	35.7
329.08670	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	28.7
62.63257	6.1
67.05508	96.1
69.07082	30.0
70.67742	10.8
70.75639	5.6
79.05498	39.4
81.07069	81.2
81.21231	5.5
81.24767	6.0
83.08634	26.3
88.82627	5.6
91.05497	27.8
93.07047	54.0
95.04947	7.9
95.08636	32.7
97.06556	9.8
97.10205	24.4
105.07046	28.2
107.04973	19.7
107.08605	49.4
109.10191	45.3
117.07066	13.5
119.08577	17.7
121.10188	21.2
123.11658	6.7
125.09665	18.1
131.08588	9.3
133.10152	26.4
135.11758	13.2
137.09634	6.3
145.10101	6.3
147.11754	15.0
149.09633	14.1
149.13329	29.6
155.10704	22.8
159.11728	21.4
173.11774	72.9
177.12863	7.1
189.11255	14.6
195.13780	59.3
213.14871	39.1
221.24182	7.8
224.25105	5.8
257.19067	7.5
275.20081	100.0
276.20529	7.4
293.21109	11.0
347.23254	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
62.32903	0.4
69.70177	1.3
85.39180	0.4
87.62844	0.3
92.29920	0.4
96.71145	0.4
96.99174	0.3
98.23352	0.4
101.94302	0.4
111.53268	0.4
124.01801	0.3
131.47804	0.4
185.07921	0.6
197.99458	0.4
201.99161	0.4
258.04544	0.4
347.13126	100.0
348.13470	6.4
352.11899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.9
57.07057	2.8
70.06580	3.5
75.54365	1.3
78.91544	1.2
88.07636	8.0
104.99268	2.1
135.08066	4.5
142.86644	1.1
193.04955	1.4
223.64134	1.2
249.14481	2.4
265.14111	1.2
267.97406	1.2
284.29538	3.5
285.29816	3.2
298.31070	2.7
299.31491	2.7
304.33765	1.1
324.02151	1.1
346.33167	12.0
347.21918	100.0
347.33429	15.7
348.22131	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	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.2
55.05510	38.3
57.03445	7.3
57.07086	4.1
59.05001	5.3
66.82175	4.2
67.05505	84.8
69.07069	25.6
71.05012	6.7
71.08647	20.2
78.28146	3.5
79.05500	25.3
81.03426	3.8
81.07058	75.5
81.72915	3.6
83.04993	11.3
83.08620	37.3
84.62699	3.7
85.06557	8.8
91.05482	25.5
93.07050	60.7
95.04968	11.6
95.08607	34.7
97.06527	13.1
97.10169	24.1
99.08101	15.9
105.07059	17.6
107.08603	30.8
109.10151	60.9
111.08082	10.7
114.68410	3.5
117.07070	4.5
119.08611	15.8
121.10165	10.6
121.61186	3.9
123.11747	6.7
124.98061	4.3
125.09641	22.1
131.08606	6.4
133.10167	22.3
135.08044	3.9
135.11716	21.3
136.57596	3.7
139.11192	6.3
147.11679	8.0
149.13260	44.3
151.11221	12.7
155.10670	18.6
159.11671	19.3
161.13284	13.7
163.11211	9.5
165.12738	4.1
173.11745	76.8
177.12764	16.4
179.14305	9.3
189.11130	23.6
195.13800	100.0
197.76015	3.9
208.82808	4.9
213.14842	55.6
259.20566	6.0
277.21655	46.8
295.22763	31.8
349.19824	15.8
349.76804	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	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.35075	2.6
54.60023	2.9
56.19204	2.9
68.43132	2.5
69.77848	8.0
69.78198	5.9
73.57117	3.1
80.89799	3.0
84.77026	2.4
105.87794	2.9
142.85492	3.3
234.28918	2.9
296.28665	3.0
298.68460	3.3
349.08963	100.0
350.09286	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	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
51.78087	0.5
69.63642	0.4
69.63988	1.7
74.38265	0.6
81.07087	0.5
104.27822	0.4
131.41273	0.5
185.04182	0.8
187.03673	2.0
349.08939	100.0
350.09222	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.6
57.03439	20.9
65.03920	15.7
67.05506	48.0
69.07070	51.5
70.31665	17.0
78.27452	17.4
79.05495	57.2
81.07062	65.9
88.04027	19.5
91.05500	41.9
93.07067	54.9
93.78773	15.6
95.08606	25.3
105.07065	47.5
107.08606	54.2
109.10147	25.6
117.07063	34.7
119.08565	24.8
121.10143	19.4
123.08049	24.7
133.10201	55.3
135.08286	18.1
135.11694	24.0
145.10153	18.9
171.11888	22.3
257.19025	25.7
275.20148	100.0
278.19885	17.3
293.37631	19.2
339.78964	19.6
349.13608	23.0
349.17892	65.7
349.23770	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.7
56.96542	10.8
57.03445	14.1
67.05508	54.6
69.07067	29.1
69.93255	10.3
71.45417	12.9
79.05482	32.6
81.07057	61.0
83.08575	11.0
91.05466	40.6
93.07050	33.4
95.08602	20.9
105.07030	34.7
107.08598	24.4
119.08562	24.7
121.07381	10.2
121.10143	21.2
131.08548	18.7
133.10136	31.4
135.11681	13.6
145.10080	25.1
147.11708	19.1
159.11714	15.2
200.69283	9.5
239.17130	9.9
255.45026	12.3
266.97473	15.6
275.19937	26.1
331.15723	50.6
349.17087	100.0
349.23520	52.5
367.17960	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	349.1777
Annotation	Imidocarb
Peak:m/z	Relative Intensity
54.04964	10.9
55.05500	11.2
56.96562	28.0
65.95844	10.8
67.05503	27.8
69.07068	16.9
69.09053	60.3
79.05499	38.0
81.07069	56.8
91.05489	22.2
93.07063	16.7
98.22658	15.3
100.48828	9.0
100.68830	9.4
104.86034	8.4
105.06999	14.9
107.08604	17.4
109.06532	23.3
119.08583	15.9
121.31868	9.4
149.06027	13.4
171.12086	11.8
275.20007	27.2
314.21469	10.7
331.15799	41.4
338.33484	10.3
349.17215	100.0
349.23740	30.8
350.18024	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	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95745	0.9
70.09238	1.0
79.05515	1.1
79.21706	1.0
81.07053	1.4
93.07038	2.5
98.23055	5.9
102.36787	1.0
107.04990	1.0
112.75715	0.9
119.08649	1.2
120.78498	1.0
151.44766	1.0
163.11470	1.0
272.65549	1.0
305.48557	1.3
328.82941	1.3
331.18896	3.5
349.19888	100.0
350.20071	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94985	0.5
63.60658	0.5
67.05499	0.8
69.07065	0.8
70.06599	0.9
79.05479	1.1
81.07046	1.7
89.68879	0.5
92.20547	0.5
93.07033	1.6
98.98513	0.8
102.09197	0.9
105.07017	0.8
105.21880	0.5
107.08578	1.7
131.08607	0.6
137.05740	2.8
147.11781	0.6
149.13203	0.7
155.01065	1.0
167.65411	0.5
173.26945	0.6
221.11513	1.2
235.13138	1.7
242.25006	0.8
243.25127	0.7
263.84534	0.6
348.31091	1.5
349.19873	100.0
350.20160	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.6
55.01875	17.9
55.05515	25.8
57.03435	18.9
57.07065	4.7
59.01508	2.7
67.05502	78.1
69.03412	3.7
69.07068	72.4
69.32417	15.6
79.05490	60.4
81.03405	34.7
81.07054	98.8
83.04987	13.7
83.08604	12.2
91.04943	5.3
91.05479	81.4
93.07045	65.3
95.01320	26.6
95.04976	27.2
95.08607	64.1
97.06532	25.6
97.10183	6.1
105.04462	3.7
105.07017	100.0
107.04953	48.7
107.08596	29.3
109.06506	8.5
109.10149	14.2
111.04425	3.9
111.08070	8.2
113.09593	2.7
115.05409	2.8
117.07009	29.6
119.08588	54.3
121.06518	9.1
121.10158	13.1
123.04417	3.6
123.08047	9.9
123.11667	2.8
125.09570	3.2
129.06998	4.2
131.08563	34.5
133.10124	58.6
135.08066	9.6
135.11694	19.8
137.09612	4.0
139.07405	3.1
141.06943	5.5
143.08618	8.5
145.06479	5.7
145.10121	25.5
147.11685	25.7
149.09595	9.8
149.13239	9.2
157.10092	3.8
159.11667	21.4
161.13281	8.8
163.11182	8.7
165.09175	4.3
169.10127	7.5
171.11830	14.8
173.13229	5.9
177.12752	13.4
179.14313	38.5
184.64690	2.7
185.13263	3.7
187.11220	10.8
195.13863	4.7
205.12152	3.4
214.87299	3.2
247.20558	7.1
257.18985	13.0
275.20062	77.2
276.20340	5.7
277.61844	2.5
332.48740	3.4
349.23749	66.9
349.33871	5.1
350.24283	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05494	1.7
57.07077	3.9
65.02097	0.4
67.05498	3.9
69.07062	2.5
69.65189	0.8
69.65571	0.9
71.04951	0.6
71.08620	3.4
79.05482	2.7
81.07053	5.5
83.04985	0.5
83.08604	1.2
84.46844	0.4
85.06530	2.4
91.05467	1.3
93.07043	3.3
93.61234	0.4
95.04952	0.8
95.08601	6.1
97.06532	0.9
97.10114	0.7
98.22759	0.8
99.08092	1.3
105.07021	2.4
107.08604	3.3
109.06516	16.5
109.10168	2.3
111.08099	0.5
119.08580	2.7
121.06483	0.7
121.10131	2.8
122.07274	1.2
123.08065	22.6
123.11681	0.9
124.08370	0.5
131.08504	0.9
133.10156	2.0
135.08034	3.2
137.09586	0.9
145.10156	0.9
147.11646	1.0
149.09607	0.8
149.13240	0.7
159.11752	0.6
161.09648	0.5
161.13251	0.5
165.12744	0.8
167.14362	0.5
171.11890	0.5
175.14748	0.5
177.16397	0.4
179.14299	100.0
180.14674	3.7
193.15886	2.4
275.19962	0.4
293.21100	0.8
331.26318	2.3
349.27362	89.0
350.27734	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	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03935	0.6
53.55347	0.4
55.05297	0.4
55.05517	5.4
57.07086	1.8
59.05009	0.5
67.05210	0.4
67.05515	4.9
69.07072	10.9
71.04994	0.9
71.08633	0.6
72.39503	0.3
79.05495	3.5
81.07063	9.2
83.04990	0.8
83.08624	4.1
85.06535	0.7
85.08424	0.3
87.04504	0.4
89.06044	0.4
91.05476	1.7
93.07043	5.2
95.04986	0.6
95.08017	0.6
95.08611	7.7
97.06532	1.7
97.10173	1.1
101.05971	0.5
105.07011	3.2
107.08600	5.7
109.06525	10.3
109.10159	3.9
111.08086	1.6
119.08595	3.4
121.06514	0.9
121.10133	2.9
122.07256	0.6
123.08074	67.8
123.11671	2.0
124.08381	1.7
125.09628	0.6
131.08585	1.0
133.10139	2.4
135.08070	4.3
135.11710	1.9
136.08771	0.5
137.09615	4.1
137.13278	0.7
145.10141	1.0
147.11708	1.9
149.09622	1.8
149.13306	2.0
151.11208	0.5
159.11659	0.9
161.13272	1.3
163.11125	0.6
165.12711	0.8
167.14317	0.5
173.13414	0.4
175.14771	0.5
179.14322	14.0
180.14641	0.6
191.14259	0.4
191.54671	0.3
193.15807	0.5
231.15906	0.5
233.18997	0.9
251.19922	0.4
263.19885	0.6
275.17422	0.4
275.19934	2.0
289.25342	0.8
293.21121	16.8
294.21533	0.9
303.26819	0.5
307.22595	0.9
313.25165	0.4
331.26370	2.8
349.27390	100.0
350.27731	7.3
353.21341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05508	4.9
57.03447	0.7
57.07070	1.8
59.48692	0.6
67.05511	3.7
69.07063	9.5
69.10938	3.8
71.04987	1.4
79.05482	3.0
81.07058	9.2
83.04997	1.2
83.08644	3.2
86.09707	0.6
87.12402	0.6
87.13119	0.6
91.05508	1.4
93.07057	4.3
95.08600	6.0
97.06526	2.1
97.10151	0.7
100.02534	0.6
100.31741	0.5
105.07030	2.6
107.08570	4.3
109.06523	8.8
109.10160	4.5
111.08089	2.1
119.08579	4.2
119.09308	0.7
121.10150	2.5
122.07355	0.7
123.08070	60.8
123.11736	1.8
124.08450	1.9
133.10143	2.7
135.08058	5.1
135.11719	2.3
137.09595	3.7
145.10138	0.9
147.11685	2.6
149.09618	0.9
149.13260	2.3
159.11707	0.9
161.13264	1.5
165.12869	0.6
171.19565	0.7
179.14323	5.1
233.19038	0.8
275.20038	2.2
289.25168	1.0
293.21103	15.7
307.22714	0.8
331.26270	3.3
349.27383	100.0
350.27695	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	350.135
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
51.07742	0.3
53.03946	0.8
55.01867	1.4
56.41991	0.3
57.03438	2.5
59.04994	0.4
61.02930	2.3
64.89526	0.3
64.94458	0.4
66.61942	0.3
67.03703	0.3
67.05484	0.4
67.26888	0.4
69.03073	0.6
69.03435	9.4
69.87080	0.8
71.01373	0.7
71.05001	2.5
73.02902	0.8
79.05506	0.4
81.03406	1.5
91.05480	0.8
93.07041	1.0
95.08598	1.1
97.02895	0.6
97.06538	2.6
99.04453	2.1
107.08620	0.9
116.04971	0.4
116.98938	0.3
117.05511	1.0
118.06554	3.5
120.08105	0.7
131.06093	0.5
132.06886	0.5
132.08070	0.9
135.11707	2.3
141.72081	0.4
145.07626	14.0
146.08363	1.2
147.04465	0.4
147.09180	22.5
148.09503	0.7
153.12759	1.4
157.07613	0.9
159.09184	8.9
160.10008	1.7
161.10745	1.0
170.08498	0.4
171.13823	2.2
173.07094	2.9
173.10753	1.4
175.08704	1.7
183.09265	0.5
184.09938	0.7
185.10776	4.1
186.11490	0.7
187.08708	0.9
187.12277	1.1
189.10252	1.3
191.08163	100.0
192.08504	3.7
197.10832	1.8
199.08647	0.9
199.12328	1.1
201.10205	0.9
203.73070	0.4
213.10159	2.0
215.11819	1.5
216.07690	10.6
223.07681	0.6
225.10243	1.2
227.11990	0.5
231.11269	0.4
233.09254	0.8
243.11377	1.2
245.09267	0.5
245.12988	0.4
263.13931	7.5
271.10721	0.7
289.11856	3.4
290.12234	0.3
307.12903	51.9
308.13287	2.4
316.05002	0.4
349.09119	0.4
350.13489	63.7
351.13727	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.9
56.02735	1.3
57.03445	3.6
58.95922	1.0
59.05003	4.4
61.02907	1.5
67.05509	9.5
69.03437	5.3
69.07075	5.2
69.59292	4.5
71.05001	9.8
72.33707	1.3
79.05511	4.9
81.03433	3.1
81.06613	2.4
81.07063	22.3
83.05006	3.3
83.08627	12.8
85.02917	24.1
85.06525	2.0
91.05513	4.4
93.07056	43.1
94.07409	1.8
95.08620	39.0
95.09216	2.2
97.02906	4.6
97.06538	19.0
97.07109	1.9
98.22805	1.6
98.23362	2.8
101.09679	5.5
105.07048	2.4
107.08608	59.7
108.08900	2.3
109.02895	3.6
109.10168	42.2
110.10475	1.6
111.08154	2.1
119.08582	2.3
123.11710	17.2
127.03938	5.7
135.11710	100.0
135.25795	1.2
136.12054	2.3
141.12788	5.1
145.04982	5.8
153.12758	61.0
163.06117	1.8
171.13826	56.8
172.14131	1.3
351.14529	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
55.47963	1.2
58.05075	1.1
67.05499	2.6
69.03426	2.7
69.07064	2.5
71.04987	10.7
73.06551	3.4
79.05495	4.6
81.03426	1.5
81.07060	14.4
85.02917	2.0
91.05474	2.8
93.07040	11.5
95.08601	4.1
97.06558	2.0
97.12122	1.2
105.07018	2.4
107.08584	8.5
109.10133	2.5
119.04877	1.2
129.07069	1.2
133.10123	1.4
135.11696	18.5
147.04391	1.6
150.05493	1.6
153.12746	100.0
154.13060	3.8
166.04996	3.9
191.08173	1.7
259.13339	2.1
315.13370	3.2
350.18109	1.5
350.24106	11.4
351.17923	1.2
358.13974	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60268	2.3
84.08126	1.5
98.23368	2.0
124.59525	1.4
171.10219	2.1
190.08737	1.3
199.83794	1.3
213.10147	2.2
231.11208	1.9
252.57524	1.5
265.47079	1.5
275.76331	1.5
300.95297	1.5
301.11737	2.5
319.12885	4.6
333.14606	1.8
351.06793	100.0
351.10608	61.2
351.15582	8.9
352.07288	3.7
352.10889	3.5
369.07910	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	351.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33088	0.3
59.90108	0.3
63.99336	0.4
70.12062	1.1
70.69063	0.4
71.59634	0.4
98.22685	0.4
119.83647	0.4
179.82397	0.4
182.08133	0.8
190.08736	0.4
229.38596	0.4
265.24847	0.4
269.09067	0.4
292.22021	0.4
335.89563	0.6
351.07065	4.0
351.10519	100.0
352.10843	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	351.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
71.02814	0.5
79.05489	0.8
81.03400	0.7
81.07063	1.1
85.02900	1.0
95.08645	0.7
97.06486	0.5
109.02860	0.7
109.10168	1.3
117.07029	0.6
120.08086	0.7
122.06049	0.6
124.07551	0.5
137.09578	1.6
144.07899	0.6
145.02780	1.3
153.01834	2.1
154.02167	2.5
155.10664	2.1
162.05522	1.3
170.08076	1.9
172.07597	1.3
173.11804	1.4
175.08641	1.3
176.07097	0.8
177.05467	2.0
182.08142	2.5
187.08618	0.8
189.10306	0.8
190.04959	1.3
190.08638	2.4
191.03415	0.8
199.08633	2.4
200.07260	0.9
200.09441	7.6
201.10223	8.8
202.10829	0.8
204.06606	1.4
213.10219	7.7
214.11008	5.1
215.08389	0.9
215.11797	19.0
216.12274	1.3
217.01335	0.8
217.09734	2.2
218.08185	2.4
219.11320	10.1
225.13875	0.6
226.11082	1.7
227.08165	1.2
227.11723	1.4
228.08810	0.8
228.12610	2.2
231.11250	2.7
241.09743	3.5
241.13324	3.9
242.10518	11.4
243.11308	2.6
245.09146	1.3
246.07581	3.1
249.03976	0.7
254.10365	0.7
255.07736	0.9
255.11154	1.2
256.12119	3.1
259.10773	4.1
259.13553	0.7
260.09082	2.1
260.11609	4.4
261.12344	1.7
264.08810	1.3
269.09845	0.8
269.12833	4.4
271.14297	1.5
274.07159	1.3
277.11752	3.0
280.12064	0.9
287.10220	2.4
287.13885	2.4
288.14209	0.9
289.15643	1.2
292.08170	0.7
297.08899	1.3
297.12238	6.7
300.11200	2.6
302.10315	1.7
315.09729	4.6
315.13367	20.1
316.07343	0.9
316.13806	1.1
319.12943	1.2
333.10760	10.5
333.14474	20.1
334.14951	0.8
351.03458	1.9
351.15515	100.0
352.16199	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
64.81493	0.3
66.01832	0.3
67.05518	0.4
69.07091	0.3
69.15987	1.6
92.37350	0.3
93.07040	0.4
106.75532	0.2
160.68475	0.3
306.76157	0.3
333.20428	0.7
351.21426	100.0
352.21744	7.8
352.25980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.2
57.03439	14.8
57.07066	5.6
60.47980	4.6
67.05505	54.9
68.03648	4.8
69.07072	14.5
69.75362	17.1
71.08644	5.3
72.67560	4.7
79.05494	65.2
81.07065	65.2
83.04972	5.2
83.08614	8.8
86.26102	4.7
89.72997	4.4
91.05490	61.7
93.07043	85.3
95.05003	8.9
95.08608	42.2
97.06593	6.0
98.23002	13.8
99.08113	8.9
103.55555	5.2
105.07034	51.4
107.08614	56.4
109.10148	21.5
114.18631	4.8
117.06998	12.7
119.08599	48.2
121.10157	39.6
129.07013	12.1
131.08585	18.1
133.10123	44.9
135.11705	45.1
137.09653	5.6
143.08556	11.1
145.10133	20.4
147.11693	53.5
149.13292	28.6
157.10158	6.9
159.11731	23.3
161.13258	46.6
163.14824	11.2
171.11720	9.4
173.13332	10.1
175.14845	18.0
179.14375	5.3
185.13240	13.6
196.36113	5.2
199.14696	6.4
217.19444	5.5
231.21101	7.2
241.19542	35.1
259.20566	100.0
277.21582	25.2
297.15576	5.0
333.24179	14.1
351.21341	6.3
351.25302	92.6
352.25497	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.1
55.05505	9.9
63.13882	2.0
67.05502	12.1
69.03431	2.6
69.07066	8.6
71.08611	2.3
79.05489	6.6
80.18456	2.0
81.07060	19.4
83.04960	3.5
83.08638	3.0
87.04441	2.7
91.05463	7.3
93.07047	19.1
95.04971	13.0
95.08627	15.1
97.06524	7.5
99.04411	2.6
105.07011	6.3
107.08582	9.2
109.06522	40.3
109.10158	2.8
119.08578	6.6
121.06490	8.2
121.10118	5.9
123.08069	3.9
131.08543	5.7
133.10143	3.6
135.08057	6.5
135.11726	3.1
135.46129	2.1
137.09622	5.2
145.10066	4.4
147.11649	5.4
149.13257	2.6
161.13260	2.9
163.11177	7.1
165.12753	31.8
168.08043	3.1
173.13310	3.4
181.10062	2.5
191.14288	4.5
221.15283	3.2
226.12241	25.1
227.12469	2.6
228.13815	5.9
261.22153	4.9
289.21613	45.3
295.19113	6.2
351.20911	10.4
351.25256	100.0
352.25586	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	5.2
55.05513	19.7
57.03436	2.8
57.07088	3.8
65.03970	1.5
67.05164	2.7
67.05506	47.2
69.07063	19.4
71.04996	3.4
71.08614	2.0
75.04496	3.2
78.51431	2.0
79.05490	64.4
81.07055	49.9
83.04954	2.4
83.08608	7.1
83.82517	1.7
85.06554	6.3
91.05480	57.0
91.75436	1.8
92.05811	2.4
93.07043	76.4
95.04957	13.6
95.08604	41.7
97.06516	5.7
97.10177	2.9
99.08103	4.6
105.04497	2.6
105.07028	62.6
105.07742	3.1
106.07375	1.9
107.04977	2.0
107.08596	44.2
109.06519	23.8
109.10165	16.0
115.05461	1.6
117.07018	16.0
119.08576	57.2
119.09426	3.3
121.06509	5.5
121.10141	34.5
123.08031	2.2
123.11716	4.2
128.06294	2.1
129.07037	8.5
131.08563	20.0
133.10129	49.9
134.10609	1.6
135.08089	4.9
135.11691	37.0
136.12010	2.2
137.09639	4.1
143.08521	9.0
145.10114	24.8
147.11678	49.9
149.09637	3.4
149.13242	18.5
151.11105	2.4
153.12698	2.2
157.10175	8.9
159.11697	18.8
161.11929	1.8
161.13257	32.7
163.11191	7.8
163.14874	4.3
165.12733	19.6
171.11678	15.0
172.12146	2.8
173.13249	11.1
173.54240	1.9
175.11243	2.3
175.14809	13.1
177.12755	1.8
185.13246	14.2
187.14999	1.9
189.12729	2.3
191.14368	4.5
199.14812	8.1
203.14272	2.9
206.10454	2.0
213.16423	4.0
221.15430	2.0
223.02547	2.0
231.21004	8.2
233.15396	1.9
241.19521	29.9
259.20560	91.7
260.20996	6.0
261.21960	3.7
277.21573	3.8
285.23529	2.0
289.21649	21.3
289.96317	2.2
295.19122	2.7
333.24130	3.3
351.25299	100.0
352.25626	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01860	3.8
55.05513	18.9
57.03182	1.3
57.03439	16.2
57.07065	4.2
65.03925	1.8
67.05504	49.8
69.03428	2.4
69.07063	19.7
69.52638	2.0
69.53026	3.0
71.05000	2.6
71.08632	56.3
73.57708	1.0
79.05492	47.5
81.03417	6.1
81.07056	48.8
83.04976	10.7
83.08611	8.6
85.06541	3.0
91.05483	27.5
93.07042	57.8
95.04973	12.6
95.08604	39.5
96.08994	1.4
97.06526	9.4
97.10173	3.9
99.08098	35.4
105.04512	1.6
105.07035	22.2
107.04957	7.9
107.08590	28.7
109.06512	4.7
109.10155	15.9
111.08105	1.3
113.09628	2.9
117.07015	4.5
119.08584	18.2
121.10137	23.0
123.08056	2.4
123.11707	3.6
125.09592	1.1
129.07010	2.3
131.08548	4.7
133.10143	13.2
135.08080	1.7
135.11687	33.6
137.09622	4.8
137.13255	1.7
139.11034	1.4
141.09108	3.7
143.08566	3.3
145.10129	4.6
147.11673	6.7
149.13252	8.2
151.11185	18.6
153.12733	2.1
157.10095	2.1
159.11668	3.6
161.13249	12.5
163.11218	6.2
163.14838	3.1
165.12833	2.6
167.10689	2.3
171.11723	3.6
173.13214	2.6
175.11157	1.6
175.14888	2.9
177.12750	4.5
179.14304	100.0
180.14636	3.7
181.12134	1.9
184.03535	1.0
185.13297	2.3
186.99603	1.0
189.12639	2.6
195.13820	1.6
199.14862	2.1
203.14255	1.2
209.15320	1.3
211.89679	1.2
221.15427	3.4
231.17433	1.4
235.16969	6.2
241.19432	2.8
259.20609	6.7
277.21622	46.5
278.21817	2.1
289.21771	1.5
351.21866	1.8
351.25266	50.0
352.25766	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48758	1.5
55.01848	2.5
55.05516	15.9
57.03432	8.1
57.07075	3.7
67.05505	46.0
69.07066	13.7
71.04989	2.4
73.54941	1.6
73.90852	2.0
75.04475	2.6
79.05044	3.3
79.05494	61.1
81.07058	56.4
83.04981	2.9
83.08617	9.1
85.06544	3.8
91.04941	3.4
91.05482	48.0
91.06058	2.4
93.07045	99.2
94.07405	2.7
95.04974	10.5
95.08607	35.4
97.06535	4.5
99.08062	4.4
105.04515	2.9
105.07029	56.5
107.08594	51.6
108.08893	1.9
109.06531	10.8
109.10157	15.2
111.08052	2.2
117.07010	9.8
119.08572	47.6
121.06518	2.7
121.10139	43.0
123.08067	2.9
123.11754	4.3
129.07011	7.6
131.08575	20.9
133.10126	45.2
134.10472	2.0
135.08066	3.8
135.11691	42.7
143.08597	8.0
145.10133	23.3
147.11685	49.6
148.12086	3.5
149.09645	3.7
149.13258	31.3
157.10138	7.9
159.11734	18.2
161.09618	2.8
161.13258	29.1
163.11127	3.7
163.14825	8.0
165.12753	7.6
171.11664	9.8
173.13277	11.3
175.14793	13.8
177.12697	2.8
179.14355	2.3
185.13229	13.6
187.14851	2.3
189.12712	3.0
199.14836	8.2
213.16354	4.5
217.19511	4.5
231.17363	2.5
231.21103	7.1
241.19516	32.0
259.20572	100.0
260.20929	5.4
277.21591	14.8
289.21671	7.5
295.18784	2.6
315.23145	2.5
333.24234	9.5
351.25296	91.0
352.25589	6.5
357.51413	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
50.43868	0.9
50.56408	0.9
54.64882	0.7
55.01872	9.9
55.05511	10.1
57.03431	1.1
57.07075	5.9
58.07376	1.3
64.89874	0.8
67.05501	14.3
69.03422	1.6
69.07067	12.6
71.04974	1.7
71.08624	6.7
71.20045	1.0
72.08968	1.5
73.88182	0.8
79.05494	10.1
81.07052	21.3
81.18103	0.8
83.04960	2.5
83.08624	2.3
85.06534	2.2
85.10180	2.4
87.04477	1.1
89.06033	3.9
91.05477	8.4
93.07040	17.4
95.04967	9.8
95.08018	1.4
95.08600	18.0
97.06529	8.4
97.10129	2.0
99.08090	2.3
105.07022	9.6
107.04987	1.2
107.08595	9.7
109.06516	49.0
109.10136	5.2
110.06892	0.8
116.85985	0.8
117.07007	2.4
119.08579	7.4
121.06499	10.1
121.10123	6.9
123.08085	3.9
123.11662	1.9
125.09618	0.8
131.08601	4.9
133.08554	1.0
133.10101	6.1
135.08006	6.0
135.11711	1.2
137.09598	2.7
137.13316	1.3
143.08498	1.3
145.09152	0.9
145.10101	5.5
147.11690	4.5
149.09659	2.2
149.13297	1.7
151.09645	4.5
151.11084	1.5
152.09964	1.8
157.10089	1.2
159.11710	3.2
161.13266	2.0
163.11192	8.7
163.14861	1.0
165.12752	21.5
165.14046	1.6
171.11589	0.9
173.13225	4.4
175.11220	1.2
175.56525	1.1
177.12779	1.0
179.14224	1.1
187.14819	1.2
191.14287	3.7
197.13354	0.8
215.14366	1.1
221.15358	2.6
229.14313	2.8
233.15312	2.4
261.22141	5.4
271.20618	1.3
283.31387	0.9
289.21616	43.8
290.21957	3.3
295.19055	6.2
307.22775	1.4
333.24146	2.7
334.30426	1.3
351.25269	100.0
352.25525	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	352.233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22651	0.7
55.05507	1.9
56.05031	3.0
57.03431	0.8
57.07076	22.9
59.05006	5.1
61.02940	1.2
62.74325	0.7
67.05515	1.7
67.74349	0.7
69.03426	2.6
69.07076	6.2
69.41843	2.8
71.04977	0.8
79.05471	1.4
81.07058	20.6
82.07355	0.6
83.08607	1.2
84.08131	3.5
85.02907	7.0
85.06525	1.0
91.05490	0.9
93.07037	1.1
94.11718	0.9
95.08611	9.5
97.02898	1.7
97.10152	2.3
98.23514	1.3
99.08102	1.2
107.08614	2.1
109.02927	1.3
109.10226	0.9
111.11713	1.9
117.96245	0.7
119.08530	0.9
121.10098	1.1
127.03877	1.1
127.08671	7.8
137.13257	21.3
138.13545	0.9
145.04924	1.2
145.10204	0.8
155.14305	100.0
156.14613	2.7
169.13399	4.0
173.15376	30.0
174.15750	1.3
191.08183	1.2
246.12418	2.9
256.90256	0.7
288.17023	7.5
309.13483	1.5
343.26776	0.7
352.13925	1.9
353.15768	9.1
353.19666	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	353.16
Annotation	Lambicin
Peak:m/z	Relative Intensity
52.37682	0.5
53.03956	5.5
55.01871	3.8
55.05515	6.4
57.03437	1.8
57.07069	0.7
65.03928	1.1
67.01882	0.5
67.05509	8.7
69.03063	0.7
69.03436	10.4
69.07077	10.2
70.35460	0.8
71.01360	0.6
71.05004	7.6
73.06598	0.5
77.03917	1.0
79.05504	15.3
81.03426	43.7
81.07066	33.3
82.03755	1.0
82.04205	1.1
82.05225	0.5
82.07385	1.0
83.01373	0.7
83.04518	0.8
83.04989	8.3
83.08608	0.7
85.02901	1.4
85.06557	3.1
91.05494	7.8
93.07054	32.3
94.07359	0.8
95.04986	6.3
95.08606	7.8
96.83524	0.5
97.02906	6.6
97.06531	5.7
98.23089	1.0
99.04464	11.2
101.06024	1.1
103.05501	0.9
105.04543	0.9
105.06457	0.5
105.07037	18.0
107.04967	3.7
107.08603	25.8
108.08894	0.6
109.02891	43.4
109.06535	6.5
109.10162	6.8
110.03702	6.1
111.04459	9.1
111.08098	3.5
113.06020	1.2
115.05408	0.5
117.07034	3.2
119.04884	0.5
119.08595	8.6
121.06522	9.2
121.10156	26.6
122.10491	1.0
123.04433	3.8
123.08053	3.2
124.05232	1.2
125.02374	7.8
125.06016	2.1
126.03135	1.9
127.03928	22.5
127.07582	3.1
129.07062	1.0
130.07785	1.1
131.08568	3.0
133.06537	1.2
133.10162	4.2
135.04420	0.6
135.08081	6.2
135.11693	7.8
137.05994	1.6
137.09610	4.2
137.13260	0.8
139.07571	1.0
139.11201	2.4
143.08585	1.7
145.06451	1.5
145.10138	14.6
147.08037	2.0
147.11671	3.3
149.06009	3.3
149.09641	7.5
151.07564	1.9
155.08560	1.1
157.10136	1.8
159.08060	2.3
159.11700	0.6
161.05969	2.4
161.09645	3.4
163.07591	2.7
163.11198	37.8
164.11546	1.7
165.09148	3.2
167.08530	0.8
167.10696	8.8
168.33331	0.5
169.08612	7.0
171.11678	1.1
173.09642	4.1
173.13307	1.3
175.07588	1.5
175.11209	1.4
179.08662	0.5
179.10678	2.0
181.12248	7.9
183.11711	0.6
185.09665	0.6
185.11737	1.2
185.13239	0.7
187.11211	1.0
189.09108	2.0
191.07083	1.2
191.10680	26.8
191.14265	2.7
192.10941	0.6
197.09528	0.6
199.11349	0.6
201.09129	0.9
201.12785	0.8
203.10747	0.6
207.10178	1.4
209.11740	10.0
209.13499	0.9
210.12032	0.6
211.11241	0.9
215.14273	1.2
217.12248	0.6
225.11201	1.6
227.12804	7.2
227.14804	0.9
229.12228	0.8
243.13916	0.7
247.13174	0.7
253.12444	0.7
271.13339	2.5
275.12732	0.7
277.10641	1.1
289.14261	3.0
291.15891	2.2
293.13928	2.8
299.12695	0.5
309.16861	2.6
317.13864	1.6
335.14972	4.5
353.15964	100.0
354.16293	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	353.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
53.39844	0.3
55.01875	1.8
55.05506	2.6
57.03438	0.8
57.07075	4.4
58.13101	0.3
59.05002	1.3
65.03941	0.6
67.05510	6.0
69.03429	2.6
69.07072	9.1
69.63986	0.3
71.05005	2.2
73.02934	0.3
76.35468	0.3
77.03909	0.6
79.05498	5.6
81.03426	3.3
81.07063	28.2
81.68831	0.3
82.07398	0.8
83.04993	1.7
83.08623	3.7
85.02911	1.1
85.06536	2.1
85.26444	0.3
91.05486	5.9
93.07051	11.0
95.04967	4.2
95.08614	8.7
97.02883	0.5
97.06530	4.9
99.04462	0.8
99.08095	0.6
105.07039	9.6
107.04988	0.8
107.08601	18.2
108.05730	0.4
108.09451	0.5
109.02897	1.6
109.06532	3.2
109.10165	8.2
110.03671	0.3
111.04469	0.5
111.08076	0.8
115.05428	0.4
117.07046	1.6
119.08572	5.4
121.06504	2.0
121.10154	16.3
122.10502	0.8
123.08092	9.7
123.11712	73.6
124.12051	2.6
125.05956	0.4
127.03915	1.0
129.05501	0.4
129.07045	0.5
131.08565	6.0
133.06450	0.6
133.10138	31.5
134.10455	1.0
135.08064	8.4
135.11702	5.8
137.05978	1.0
137.09631	3.3
141.73671	0.4
143.08591	1.1
145.06483	0.6
145.10135	2.4
147.08080	0.9
147.11703	1.8
149.06015	0.3
149.09647	2.6
149.13274	2.4
153.60561	0.3
157.10107	0.4
158.10912	1.7
159.08075	0.6
159.11624	0.5
161.09595	0.5
163.11159	1.8
163.14836	7.6
167.10655	0.6
171.11696	0.5
173.13274	14.6
174.13521	0.8
175.07500	0.5
183.11722	0.4
185.09509	0.4
189.12756	0.6
191.14319	100.0
192.14684	4.4
193.15907	1.1
201.12766	0.5
203.14084	0.4
205.15965	0.5
207.13864	0.5
209.11832	0.5
214.82808	0.4
215.09163	0.6
231.13702	0.6
233.15375	0.4
286.17279	0.6
335.18552	1.0
353.15875	1.7
353.19632	4.2
354.20016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06341	1.5
55.05506	8.7
57.03434	3.1
57.07060	2.2
60.16253	1.2
62.17795	1.1
65.03931	2.4
67.05503	33.3
68.99133	1.2
69.03429	3.3
69.07066	14.8
70.05606	3.4
71.04631	2.1
71.04996	31.6
71.08645	1.3
73.14633	1.5
79.05488	7.6
81.07056	91.9
82.07407	2.2
83.04974	5.7
83.08617	4.5
85.02900	10.0
85.06538	18.3
93.03378	2.0
93.07053	4.6
93.20647	1.2
95.04990	2.5
95.08606	98.6
96.08924	4.1
97.02906	2.8
97.10221	1.2
99.04461	1.5
99.08099	3.3
100.85020	1.3
105.03394	1.5
107.04980	3.9
109.10152	8.9
110.10484	1.4
111.04425	6.5
111.11724	1.7
113.09680	1.7
123.04424	4.6
127.03845	1.8
129.05475	2.1
133.02870	8.5
134.07077	1.6
137.13269	12.9
139.03880	2.2
139.11165	5.2
145.04927	1.8
151.03870	2.7
155.10594	1.6
155.14302	34.9
156.11029	4.5
157.12250	2.4
160.05180	1.7
161.02348	2.4
162.05513	2.3
163.03874	1.9
163.05835	3.8
173.15372	100.0
174.15727	4.4
179.03366	15.7
180.03571	1.8
191.05423	2.4
191.16461	12.0
289.11859	3.0
317.11340	1.8
353.11932	6.8
353.16174	3.8
354.17218	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	353.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50851	1.1
79.60237	0.5
93.16486	0.5
93.64108	0.5
103.20556	0.5
151.79346	0.6
179.83684	0.5
353.22998	100.0
354.23389	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
50.51157	1.7
53.03948	1.8
54.84233	1.6
55.05513	13.4
57.02566	1.6
57.07077	7.3
67.05509	14.6
69.03441	3.0
69.07069	21.9
71.04983	2.8
71.08633	21.7
78.73797	1.5
79.05505	10.0
81.07059	31.6
83.08626	4.9
84.18987	1.5
85.06566	2.6
87.48176	1.7
91.05483	6.3
93.07047	13.0
95.04971	7.9
95.08608	19.7
97.06531	5.5
97.10191	2.3
99.08087	18.5
103.05710	1.6
104.05662	1.5
105.07044	9.8
107.08610	10.0
109.06520	25.9
109.10179	9.9
111.08077	3.0
119.08576	10.4
121.06528	7.3
121.10171	6.2
123.08077	3.6
123.11729	4.3
131.08585	3.7
133.10117	8.9
135.08078	6.7
135.11693	4.9
139.11214	6.0
141.09067	2.0
145.10138	5.6
147.11658	2.7
149.09621	1.8
149.13271	2.4
154.75929	1.8
156.69154	1.6
159.11700	4.2
161.13364	3.7
163.11172	3.9
163.14876	2.5
165.12756	51.5
175.14841	3.0
177.12788	5.5
179.14223	1.7
209.19003	11.9
219.17482	2.4
224.64633	1.5
237.18497	2.0
269.47235	1.5
279.19495	2.6
279.26776	3.4
289.25232	22.1
307.26428	4.1
317.24777	71.4
318.25082	4.8
335.25818	100.0
336.26190	8.4
354.33899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.05512	14.8
57.03431	6.7
57.07066	6.2
65.03955	2.8
67.05504	95.3
68.05814	1.6
69.07069	10.1
69.53680	5.2
71.04990	1.9
71.08640	3.4
79.05491	46.1
81.07056	100.0
82.07377	1.6
83.04980	1.9
83.08612	9.0
85.06539	4.2
85.10172	1.7
91.05477	24.1
93.07043	61.2
93.94314	1.3
95.04955	4.3
95.08604	78.4
96.08949	2.4
97.06525	3.8
97.10164	4.0
98.22743	1.8
99.08090	4.9
105.04490	1.5
105.07033	15.8
107.08588	38.9
109.06518	3.0
109.10148	27.0
110.10448	1.5
110.76280	1.2
112.07553	1.5
117.07024	7.3
119.08593	13.2
121.10141	32.5
123.08091	1.9
123.11710	13.2
131.08556	20.9
133.10121	8.7
135.11681	25.3
137.09598	1.8
137.13252	8.3
145.10101	18.1
147.11685	11.5
149.09579	1.9
149.13248	24.9
150.13678	1.6
151.14795	3.4
153.12753	3.0
159.11670	10.9
161.13210	8.3
163.14795	15.0
164.15323	1.4
165.12764	1.6
165.16405	1.7
173.13263	17.0
175.14764	2.9
177.12654	2.0
177.16344	7.8
179.14313	1.4
179.50809	1.3
181.93077	1.5
182.52710	1.3
187.14793	8.8
189.16426	2.1
201.16409	4.2
233.18929	1.7
233.22639	7.5
243.18642	1.8
243.21078	36.1
244.21452	2.7
261.22119	89.6
262.22495	5.9
279.23163	4.3
292.22995	1.5
335.25742	14.8
350.76373	1.5
353.16861	7.6
353.26801	10.4
354.33698	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	1.1
55.05509	13.6
57.03431	2.8
57.07073	6.3
65.03919	1.6
67.05504	85.3
69.07069	12.9
69.52435	4.4
70.06586	1.9
71.04993	2.7
71.08618	5.3
75.04464	1.6
77.17093	1.2
79.05492	52.0
80.05813	1.5
81.07057	80.6
82.07407	2.1
83.04987	2.1
83.08615	8.6
85.06544	4.4
85.10210	2.0
85.40467	1.2
88.07632	3.7
91.05481	23.7
93.07040	69.8
94.07372	1.6
95.04958	4.7
95.08605	71.1
96.08907	2.0
97.06523	4.8
97.10165	4.6
99.08099	3.7
102.09181	1.2
102.52085	1.3
105.04509	1.7
105.07034	19.9
106.08675	1.7
107.08589	42.1
108.08894	1.9
109.06503	2.5
109.10160	28.2
111.08092	1.5
113.09634	3.7
117.07028	12.3
119.08581	13.5
121.10136	36.4
122.10504	1.6
123.08088	2.1
123.11723	14.1
125.09603	1.4
131.08563	22.9
131.09468	2.2
133.10127	13.7
135.11693	27.3
137.13239	9.2
139.11111	1.2
139.29277	1.1
145.10121	15.8
147.11670	9.8
149.09601	1.6
149.13257	25.4
151.14803	4.9
153.12746	1.6
154.01242	1.2
159.11662	11.7
161.13272	10.9
163.11211	1.8
163.14821	19.4
165.12758	1.5
173.13232	19.7
174.13617	1.4
175.14828	3.1
177.12833	1.6
177.16376	8.6
179.14395	1.9
187.14824	11.0
191.14374	1.5
197.08162	1.7
201.16290	2.6
205.15895	2.6
215.17938	2.2
233.22614	7.8
239.09193	1.6
243.21078	35.5
244.21375	2.4
261.22131	100.0
262.22427	6.8
263.23746	1.8
279.23096	2.7
335.25851	7.0
353.26923	13.9
354.33688	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2692
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.9
55.05518	15.0
57.03444	4.9
57.07079	4.4
64.56580	1.4
65.03941	2.1
65.84153	1.6
67.05510	88.6
68.05833	1.7
69.07074	13.3
69.50023	2.1
69.50365	4.3
71.04999	3.0
71.08632	2.2
79.05502	38.9
81.07062	100.0
82.07379	1.9
83.08633	5.6
85.06594	2.1
91.05488	21.3
93.07052	53.7
93.64743	1.5
95.05000	3.4
95.08616	70.9
96.08955	2.7
97.06532	3.0
97.10193	3.0
105.07052	16.8
107.08602	31.6
109.06572	2.1
109.10170	39.4
110.10530	2.3
111.08110	2.6
117.07019	9.2
119.08582	13.1
121.10150	27.7
122.10488	2.6
123.11703	21.4
131.08588	18.0
133.10129	13.0
135.11703	22.8
136.12039	1.8
137.09619	2.1
137.13301	7.3
145.10155	13.0
147.11723	10.4
149.13275	17.5
150.13649	1.7
151.14812	2.8
159.11746	8.9
161.13315	9.2
163.11217	1.7
163.14870	10.5
165.12791	3.5
166.13063	1.7
173.13263	12.2
175.14844	3.2
177.16492	2.8
180.54713	1.6
187.14882	9.9
187.16292	1.6
201.16463	1.7
205.15913	1.8
215.17912	1.6
233.22714	4.7
243.21085	23.9
244.21667	1.8
261.22159	81.0
262.22531	5.5
263.23770	2.2
267.62421	1.6
279.23227	4.8
291.22949	6.3
335.25638	14.1
353.14731	2.6
353.26831	34.5
354.33780	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84094	1.2
51.40810	1.2
53.03948	2.1
55.05511	17.7
57.03429	3.5
57.07067	5.9
65.03929	2.0
67.05502	83.1
68.05820	2.6
69.07066	17.0
69.23022	2.7
69.23439	4.0
71.05001	2.7
71.08630	22.3
72.04496	1.2
72.08147	3.7
73.70885	0.9
75.04443	0.9
76.05078	1.1
79.05492	40.4
80.05758	0.9
81.07054	93.7
82.07401	2.8
83.04986	2.8
83.08611	9.5
85.06536	3.7
88.07589	1.0
91.05473	23.6
93.07042	61.8
95.04968	7.0
95.08602	68.3
96.08942	1.7
97.06535	5.8
97.10170	4.2
99.04443	1.6
99.08085	15.4
100.08444	1.1
105.04488	1.2
105.07030	18.1
107.08587	39.6
108.08909	2.1
109.06522	7.1
109.10154	35.1
110.10487	1.3
111.08090	3.6
113.09646	2.0
117.07002	8.1
119.08578	13.4
121.10141	34.0
121.10981	2.0
123.08072	3.4
123.11701	20.6
131.08560	18.1
132.08846	1.2
133.10138	13.5
135.11685	27.0
137.09612	2.0
137.13223	6.9
139.11140	1.7
145.10121	13.5
147.11700	12.6
149.09601	1.5
149.13243	19.7
151.11206	3.1
151.14796	2.7
153.12733	1.5
155.20836	1.1
159.11693	14.7
161.13246	8.6
163.11206	1.8
163.14787	11.2
165.12730	11.2
173.13272	12.9
175.14841	4.0
177.12741	1.3
177.16403	4.1
179.14272	3.2
185.13286	1.2
187.14832	9.4
189.16263	1.4
191.14264	1.4
193.15947	2.1
201.16379	2.3
205.15869	1.9
219.17424	1.7
233.22707	3.4
235.17007	1.4
236.75281	1.2
243.21100	19.9
244.21460	2.1
252.83206	1.2
261.22122	90.1
262.22519	5.9
263.23648	2.2
271.33075	1.1
279.23199	3.1
291.23160	26.9
292.23694	1.2
307.22507	1.0
309.24265	4.2
335.25882	8.1
336.29016	14.1
353.26846	100.0
354.27115	10.1
354.33691	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	355.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39493	0.8
58.99876	0.8
68.98294	1.1
69.03419	3.0
69.35519	0.7
69.95553	1.7
70.99863	0.7
73.65372	0.7
77.83435	0.7
81.03411	2.1
82.99821	5.1
84.40990	0.7
85.02916	4.0
86.99310	0.8
88.02333	0.6
89.03931	0.8
93.38697	0.7
93.63158	0.8
97.02901	6.5
98.97586	1.0
101.00879	41.2
102.00964	1.1
102.29247	0.7
107.04897	1.0
109.02883	2.9
113.00862	6.2
115.02419	1.4
117.03385	1.2
119.01918	45.2
120.02061	2.2
127.02430	4.1
127.03963	1.3
131.01906	15.4
133.03436	1.8
135.04436	3.6
137.00850	2.2
137.02934	3.5
139.02409	1.7
141.00313	1.5
143.01894	32.7
144.01962	1.2
145.03540	11.2
147.04407	3.0
149.02982	1.1
155.01895	18.2
155.03166	1.2
157.03476	9.9
159.01366	3.3
161.02957	58.0
162.03078	2.8
163.03883	18.0
167.01953	4.5
169.03458	2.8
173.02957	18.0
174.03151	2.1
175.04543	3.2
179.01866	5.3
179.04065	1.0
185.02962	20.3
187.04556	6.5
191.04012	2.1
197.02960	26.5
198.03224	2.6
203.04024	12.8
205.03467	4.0
205.05196	0.7
215.03979	3.4
217.03555	1.8
221.05093	2.9
223.04465	3.6
227.03970	4.7
229.03491	1.3
235.04498	19.4
236.04677	1.6
245.05058	34.8
246.05225	2.5
247.04488	3.2
253.05550	12.7
254.05989	0.8
263.06137	7.7
265.05624	2.4
283.06674	1.3
313.07715	7.5
331.08627	1.7
355.08725	100.0
356.08936	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	355.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13807	0.3
64.29273	0.3
69.79827	0.7
69.80218	0.7
78.64076	0.3
79.05491	1.3
83.04988	0.6
88.32413	0.3
89.03924	6.5
95.63251	0.4
98.23097	1.2
107.04968	1.9
111.04449	0.8
117.03397	8.9
117.04198	0.6
118.03664	0.4
127.16344	0.3
135.04424	20.5
136.04842	0.5
136.40828	0.4
139.03873	0.4
140.05959	0.4
145.02856	14.4
146.03276	0.4
163.03914	100.0
164.04262	3.2
181.04968	0.5
208.43712	0.4
275.88422	0.4
301.92896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1027
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.88004	0.3
56.88415	0.2
65.03928	0.3
65.35244	0.3
76.38586	0.2
79.05494	0.8
80.27197	0.2
83.04976	0.7
89.03928	5.8
95.04977	0.6
107.04980	1.9
111.04446	0.3
117.03388	8.3
135.04428	16.7
145.02866	11.5
163.03915	100.0
164.04265	3.1
181.04990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.39029	0.2
61.15377	0.3
63.02362	0.6
69.68818	1.2
69.69195	0.5
79.05495	1.5
83.04972	0.9
85.02901	0.4
89.03920	7.1
95.04979	0.5
106.93963	0.3
107.04974	1.9
111.04438	0.5
113.51630	0.3
117.03378	10.8
135.04420	19.8
136.04726	0.4
145.02849	12.2
145.03857	0.5
163.03902	100.0
164.04259	2.8
171.67824	0.3
185.27834	0.3
254.31497	0.3
258.50250	0.3
335.24020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1027
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
69.03426	0.6
69.34345	1.4
77.03925	0.4
79.05492	1.1
80.28624	0.2
83.04990	0.7
89.03926	9.2
95.05012	0.7
98.22834	0.5
107.04969	2.5
111.04417	0.6
117.03386	12.2
118.03724	0.5
135.04425	20.0
136.04774	0.6
139.03943	0.5
145.02863	12.4
145.03896	0.6
146.03238	0.4
147.06551	0.4
163.03912	100.0
164.04239	3.3
179.44473	0.3
181.04951	0.4
355.13739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.91661	0.3
53.58292	0.4
55.05494	0.4
60.91383	0.2
69.03445	0.3
71.15488	0.4
77.03916	0.3
79.05491	1.1
83.04974	0.6
85.02915	0.4
89.03930	6.4
93.03411	0.3
93.33410	0.3
95.04984	0.5
107.04956	1.6
111.04475	0.5
117.03381	7.6
119.01925	0.6
135.04422	16.3
136.04764	0.5
137.30499	0.3
145.02850	11.9
146.03229	0.3
161.03021	0.4
163.03909	100.0
164.04243	3.2
181.04956	0.6
189.54599	0.3
217.34160	0.3
337.09235	0.3
355.08707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.94558	0.3
55.01874	0.3
55.05493	0.3
56.76759	0.2
65.13545	0.2
67.05490	0.6
68.62072	0.3
70.57041	0.4
73.24413	0.3
81.07053	0.8
83.08631	0.3
86.09679	0.3
95.04926	0.3
95.08600	0.5
105.07001	0.3
107.08567	0.5
109.10127	0.4
111.08035	0.3
114.40864	0.3
116.01889	0.2
119.08595	0.4
121.10167	0.4
130.41000	0.2
133.10048	0.3
147.11667	0.4
163.03946	0.9
167.81717	0.3
193.12016	0.6
201.05399	0.7
203.05293	2.4
248.12543	0.3
301.21649	0.4
319.22772	0.4
327.24564	0.5
355.17267	100.0
356.17578	4.5
375.61429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.3
60.86941	0.4
66.92195	0.3
69.03435	0.3
71.00025	0.3
81.07057	0.4
86.09702	0.4
91.05469	0.5
93.07056	0.9
95.08629	0.7
98.54613	0.3
105.07028	0.4
109.10186	0.5
114.09147	0.4
119.08561	0.6
121.62762	0.3
144.04471	0.6
161.05949	0.4
172.03995	1.3
195.13675	0.9
203.05345	1.2
204.06548	3.4
206.04266	0.6
227.33366	0.3
357.18845	100.0
358.19223	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	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18930	0.3
63.70490	0.3
67.05489	0.9
69.07063	0.9
69.85815	1.1
72.16306	0.3
78.45996	0.3
79.05474	0.6
81.07056	1.9
87.91541	0.3
89.04375	0.4
91.05518	0.4
93.07041	1.5
95.08594	0.8
97.06572	0.4
105.07050	0.5
107.08561	1.0
109.10162	0.9
111.08012	0.4
119.08539	0.6
121.10158	0.6
123.11691	0.5
149.13214	0.5
152.31570	0.3
153.12608	0.3
153.78761	0.3
159.11627	0.3
195.13728	0.6
243.10210	0.5
303.23294	0.7
321.24353	0.7
334.33151	0.4
339.25085	0.5
357.18829	100.0
358.19180	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21283	0.4
54.99870	0.4
55.05513	0.7
56.59046	0.4
61.61934	0.4
67.05502	1.2
69.03427	0.8
69.07071	1.5
70.05620	0.5
70.05926	0.6
79.05508	1.4
81.03413	0.5
81.07053	3.3
93.07044	1.6
95.04992	0.6
95.08597	2.1
97.06528	0.8
105.07023	1.2
107.04939	0.4
107.08579	1.3
109.06486	0.6
109.10159	1.5
111.08058	0.7
113.05984	0.5
116.52648	0.3
119.08569	1.4
121.10145	1.3
123.11697	1.7
133.10121	0.6
135.11707	1.0
137.05963	0.5
137.09650	0.8
139.11220	0.9
144.04419	0.5
147.11659	0.7
149.09662	0.5
149.13274	0.6
165.09125	0.8
172.03961	1.7
192.46021	0.4
193.45528	0.4
195.10233	1.0
204.06544	2.5
227.01634	1.3
303.23273	0.9
321.24280	1.3
325.16156	1.1
339.17844	0.4
339.25241	0.9
356.05557	0.4
357.18814	100.0
358.19199	6.6
366.53741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.264
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.05518	30.2
56.09343	4.9
67.05515	27.6
69.03440	11.5
69.07077	45.9
69.19379	8.1
69.19790	21.8
71.05009	6.4
79.05502	21.1
79.21227	5.3
81.07063	100.0
81.07507	8.4
83.04989	6.0
83.08629	11.5
85.06550	15.4
91.05518	12.0
93.07066	42.3
95.04965	9.8
95.08622	66.6
97.06544	14.4
97.10169	47.6
98.97599	6.8
99.08115	11.9
105.07043	30.6
107.08601	31.6
109.06535	7.0
109.10177	21.9
111.08090	15.6
111.11748	15.8
119.08608	14.3
121.10132	32.7
123.11723	60.6
125.09647	7.2
131.08582	6.2
133.10150	10.2
135.11716	18.4
137.13249	14.6
139.11177	43.4
141.52702	5.0
145.10110	6.9
147.11685	21.5
149.09624	6.5
149.13287	5.4
153.12796	16.6
157.12254	29.2
159.11780	8.7
161.13277	9.7
165.12799	9.4
177.12791	8.1
187.13402	6.1
203.12837	7.6
241.17915	6.2
251.23158	7.1
291.23169	11.1
293.24817	5.9
303.23248	39.2
309.24283	6.7
321.24258	62.7
330.27856	5.5
339.25305	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	357.2637
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.05254	3.8
55.05510	52.1
55.21439	2.0
57.07069	2.7
60.27381	2.2
67.05500	9.6
69.03429	2.8
69.07066	31.1
69.13961	14.0
79.05492	6.1
81.07057	39.9
83.08627	5.0
85.06535	6.9
91.05456	3.2
93.07043	10.0
95.04948	4.4
95.08607	38.1
97.06540	4.3
97.10168	100.0
98.10495	3.1
98.97568	2.6
99.08096	6.2
101.06019	3.0
105.07015	8.8
107.08605	14.7
109.10164	16.5
111.08092	5.3
111.11687	4.2
119.08578	6.3
121.10156	12.6
123.11685	16.5
125.06045	2.6
125.09628	17.6
125.62470	2.2
133.10197	3.2
135.08064	3.1
135.11707	5.1
137.13257	4.2
139.11156	11.0
143.10670	41.0
147.11742	6.5
149.13272	5.4
151.14818	6.1
157.12241	6.1
159.11693	4.9
161.13240	3.5
165.12730	4.3
171.10176	4.8
171.11589	2.3
189.11172	7.4
216.47975	2.3
275.23511	2.4
294.65900	2.4
303.23120	8.6
321.24139	31.3
339.25278	9.5
357.18817	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	358.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18777	1.2
56.96568	13.6
59.37997	1.2
62.66243	1.5
69.10506	1.3
69.39475	6.3
98.97581	100.0
99.97925	2.5
102.96872	2.6
104.38824	1.4
116.97769	2.5
116.98619	52.7
118.99021	1.4
120.97878	2.3
130.93349	2.4
134.99658	10.4
140.26007	1.5
140.59422	1.4
156.96597	2.2
172.94342	17.5
174.97649	13.5
190.00266	1.5
190.95369	12.3
192.98727	5.5
198.97704	5.2
208.96494	2.9
214.95422	14.7
215.95934	1.6
216.95203	2.1
216.98701	37.4
217.98936	2.0
218.99168	1.5
226.92033	1.4
232.93111	2.5
232.94002	2.4
232.96490	49.3
233.96732	3.4
234.96065	6.3
234.99747	47.1
235.02057	3.1
235.99918	2.4
236.99686	2.5
240.98808	2.8
250.94940	2.3
250.97543	19.8
252.97173	5.1
256.96600	21.5
257.96793	4.4
258.99753	21.9
260.00031	2.9
260.99545	2.9
261.03024	2.3
264.12927	1.3
274.94589	4.4
274.97592	65.2
275.97803	7.7
276.97925	2.2
277.00812	19.3
278.01016	3.2
278.96848	4.9
279.00418	2.1
280.96973	2.6
292.95309	5.3
292.98651	21.9
296.97946	2.4
298.94269	2.3
298.97739	55.6
299.97934	6.2
316.95166	13.6
316.98749	76.2
317.98834	9.1
334.96216	15.3
334.99655	2.1
340.98804	39.5
341.98938	3.7
358.96365	6.5
358.99905	91.1
360.00049	11.7
376.97076	15.5
377.01062	3.7
382.01508	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	359.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.19110	0.2
65.03947	2.4
67.05487	0.3
68.02657	0.4
69.03407	0.4
70.01540	0.2
70.01861	0.3
71.01347	0.6
81.03422	1.2
83.04987	2.0
85.02905	0.7
88.40589	0.2
93.03391	0.6
95.04987	0.3
96.02094	0.7
97.02912	0.4
107.01327	1.0
109.02905	1.8
111.04458	1.5
124.01608	0.6
125.02344	1.2
126.03135	3.1
139.03899	0.8
141.05469	1.6
152.01041	0.3
153.01831	0.4
155.99194	0.2
157.04976	9.2
163.30675	0.2
167.03398	100.0
168.03746	3.6
185.04457	1.4
341.08746	0.8
359.13165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05521	1.1
57.03447	0.3
65.03945	2.8
67.05502	0.4
68.02631	0.4
69.03424	0.6
70.03300	0.5
71.01340	0.8
79.01853	0.4
81.03421	1.4
83.01278	0.2
83.04981	2.1
85.02914	1.4
93.03404	0.8
95.04968	0.4
96.02079	0.9
97.02899	0.4
107.01332	1.2
108.02106	0.3
109.02879	2.1
111.04449	2.2
123.04428	0.3
124.01595	0.3
125.02360	1.0
126.03144	3.7
127.03912	0.6
135.00768	0.3
139.03857	1.1
141.05461	1.8
145.04936	0.5
152.01003	0.3
153.01888	0.5
157.04970	9.0
158.05235	0.3
167.03395	100.0
168.03725	2.7
185.04477	1.1
341.08749	0.4
359.13074	1.2
360.67426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	0.4
69.03414	0.8
70.06589	0.7
71.43342	0.4
72.08126	0.3
79.05500	0.6
81.03458	0.4
85.02904	2.4
86.09702	0.5
91.05456	0.5
93.07050	0.4
97.02924	0.8
105.06976	0.4
105.39654	0.4
107.08601	1.3
124.01486	0.4
124.34216	0.4
127.03929	1.5
133.10184	0.8
135.04436	1.6
137.05969	0.4
145.02831	1.6
145.04933	1.0
157.07632	0.6
163.03911	13.6
163.06007	0.6
163.07477	0.5
167.03291	0.5
167.08147	0.5
179.10608	0.8
181.04967	6.5
197.11650	2.9
222.85902	0.4
300.13562	0.6
309.12967	0.4
359.16739	100.0
360.12366	0.5
360.17108	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46751	0.4
53.03952	0.4
55.01862	0.8
55.05507	0.7
57.03428	1.4
58.61210	0.3
59.04992	0.9
61.02926	2.0
67.05502	0.8
69.03435	4.3
69.07092	0.4
70.45258	0.9
70.87051	0.4
71.04986	0.9
73.02935	0.7
75.14803	0.4
79.05488	1.5
81.03424	2.0
81.07055	1.0
81.40137	0.4
85.02912	20.2
86.09700	1.2
87.04464	0.6
87.31720	0.4
91.03977	0.8
91.05495	3.8
93.07046	6.8
95.04959	2.5
95.08630	1.0
97.02899	4.8
99.04469	0.9
103.64891	0.4
104.63941	0.4
105.07037	5.8
107.08601	18.0
108.08981	0.5
109.02885	1.5
109.06520	1.0
109.10151	1.5
119.08581	2.3
121.06524	2.0
121.10158	0.5
123.04443	0.7
123.11713	1.1
127.03913	4.4
133.10139	18.1
134.10538	0.6
135.11700	17.9
136.12019	1.0
137.05980	1.3
137.09673	1.8
143.08543	0.5
145.04988	2.4
151.11182	1.3
161.09631	10.2
163.06068	0.4
179.10684	33.4
180.11014	1.2
194.60207	0.4
197.11745	100.0
198.12042	3.4
228.13435	0.5
359.16724	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03937	0.4
55.01842	0.5
55.05489	0.4
57.03429	1.0
59.62363	0.3
61.02919	1.9
64.39787	0.3
67.05508	0.7
69.03437	2.8
69.07088	0.5
71.02752	0.5
73.02901	0.8
77.84132	0.3
79.05498	1.7
81.03406	1.0
81.07044	1.4
85.02906	9.8
87.04454	0.5
91.03929	0.4
91.05475	4.0
93.07041	5.4
95.04976	0.9
95.08583	1.4
97.02887	2.5
97.06532	0.6
99.04443	0.6
105.07027	7.2
107.08591	36.5
108.08917	1.2
109.02856	1.1
109.06511	1.4
109.10117	1.7
117.07019	0.7
119.08572	5.0
121.06484	1.0
121.10146	5.7
123.08046	0.8
123.11681	0.9
125.09631	0.4
127.03900	1.4
128.06285	0.4
131.08577	0.9
133.06453	0.9
133.10126	20.4
134.10428	0.6
135.11702	1.1
137.05966	1.3
137.09619	0.9
139.07486	1.5
143.08549	1.0
145.04933	1.4
149.09641	3.8
151.07545	1.3
151.11176	8.6
152.11522	0.5
161.08386	0.5
161.09622	6.5
167.10675	14.1
168.10963	0.4
179.10667	17.9
180.10971	1.0
197.11723	100.0
198.12053	4.4
252.60287	0.3
359.12427	0.6
359.16833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
60.05640	1.0
61.02928	0.7
63.82756	0.3
69.03437	1.8
69.34516	1.5
70.06235	0.7
70.06599	10.8
71.04984	2.0
72.08141	0.4
73.06464	0.4
80.05022	0.5
81.01653	0.3
81.03442	0.8
82.06604	0.4
83.04977	0.4
85.02914	6.8
85.04019	0.5
85.07677	0.5
87.04496	0.4
94.06615	0.7
95.06117	0.7
96.04503	0.6
97.02911	1.6
97.04022	2.5
97.07648	0.6
98.06061	4.5
98.22733	1.0
98.23407	0.8
109.02912	0.7
109.07661	0.5
110.06041	1.2
111.04440	0.9
111.05595	0.5
112.08739	3.8
113.03481	0.5
113.07156	1.6
114.05534	0.4
115.08733	2.3
118.06559	0.5
121.07642	0.8
123.05589	2.0
124.07599	0.4
125.03461	2.1
125.07150	1.0
127.03927	1.9
127.04890	0.5
127.08689	1.3
127.09814	1.1
130.06531	7.3
132.04471	0.6
134.06027	0.8
135.04460	1.8
137.06099	0.4
137.07121	1.5
138.06622	1.5
139.03952	3.0
139.08662	1.6
140.08250	0.6
140.09444	0.6
141.06622	0.5
145.04968	3.8
145.07628	0.8
146.06017	3.0
148.07605	0.9
149.07108	1.2
150.05542	0.4
150.07893	1.4
153.01849	1.0
153.05527	0.5
153.06572	2.3
155.08154	8.3
157.07626	17.0
158.06036	3.8
158.07384	0.3
158.07922	0.5
159.09201	0.6
160.07603	0.7
163.03935	0.7
163.06078	0.7
165.06644	1.0
167.03426	3.6
167.08173	11.6
168.08968	7.3
169.07704	0.5
169.09357	0.3
173.07147	0.8
175.08684	1.4
175.46152	0.3
180.08691	1.0
181.04977	5.4
183.05522	0.8
184.08742	1.4
185.07146	3.4
197.07899	0.6
197.10291	0.8
202.09755	0.4
204.11417	0.7
209.10420	2.1
210.11194	0.8
211.12291	0.8
212.08191	0.4
216.37283	0.3
226.13425	1.5
227.11847	1.1
236.11917	0.7
237.10229	1.3
241.08418	0.5
254.12941	3.0
255.11244	1.7
272.13977	2.3
281.13959	3.2
282.12378	27.8
283.12711	1.6
299.15009	3.3
300.13422	17.4
301.13748	0.8
306.46051	0.3
324.14548	5.8
341.17270	2.6
342.15460	1.6
359.18265	100.0
359.59689	0.4
360.18616	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	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32204	1.5
55.01870	3.2
55.05257	1.9
55.05515	20.4
57.07079	7.3
59.05021	1.9
60.79772	1.3
65.03915	1.5
67.05506	27.3
68.96687	1.4
69.03431	3.4
69.06711	3.1
69.07069	38.3
69.43636	6.9
70.07338	1.2
71.04990	5.9
79.05488	17.4
79.06647	1.4
81.07058	100.0
82.07381	2.6
83.04983	2.4
83.08626	11.6
85.02893	2.5
85.06542	12.5
91.05457	8.2
93.07050	43.6
95.04957	4.1
95.08609	77.0
97.06539	8.7
97.10179	23.2
99.08098	6.3
103.93491	1.4
105.07011	11.0
107.08598	43.4
109.06525	2.4
109.10156	26.3
111.08094	20.1
111.11720	8.4
119.08569	10.7
121.10145	26.2
123.08086	2.5
123.11705	57.8
124.12000	1.5
125.09637	2.1
131.08527	1.8
133.10136	6.4
135.11708	14.3
137.09695	1.9
137.13251	18.8
137.54790	1.4
139.11189	16.0
141.12746	5.1
147.11673	7.0
149.13260	41.4
151.11153	2.4
153.12764	6.1
155.14319	4.9
157.12236	15.4
159.11736	3.5
161.09700	1.7
161.13255	4.5
163.14822	8.8
165.12822	1.7
167.14331	3.2
169.12247	5.2
171.13887	1.5
175.14854	3.3
187.13300	12.5
189.16393	2.8
203.12816	4.2
203.17935	2.0
209.15375	1.8
223.16985	2.9
237.18547	1.8
249.18361	1.9
259.24228	2.4
269.22864	1.7
277.25275	5.0
279.22983	1.7
287.23666	3.0
293.24783	10.0
305.24725	46.7
306.25150	3.6
323.25760	15.0
359.23514	3.5
377.88849	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	22.1
57.07078	5.3
67.05500	31.6
69.07070	33.2
69.73640	8.5
76.56513	3.2
79.05481	17.1
81.07056	100.0
82.64395	3.4
83.04961	4.2
83.08635	11.1
85.06529	4.0
91.05499	9.1
93.07041	39.2
93.33945	3.7
95.08606	78.2
97.06480	5.0
97.10163	19.7
98.22687	3.9
105.07012	11.8
107.08588	40.8
109.10139	17.5
111.08118	3.8
111.11720	7.3
119.08558	6.8
121.10151	32.5
123.11715	51.2
133.10139	9.4
135.11681	17.8
137.13266	15.3
139.11134	15.9
147.11720	8.0
149.13254	40.0
153.12694	5.6
157.12241	19.7
161.13283	5.0
163.14850	5.9
175.14708	4.2
186.54590	3.9
187.13278	8.6
202.35672	3.5
203.12811	4.4
215.18002	3.7
305.24710	48.8
323.25787	10.8
341.19412	3.5
359.20316	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01872	2.9
57.03435	5.3
61.02922	10.7
62.20919	1.4
65.03925	1.9
69.03431	19.4
69.86163	4.8
71.04988	2.7
73.02924	4.2
79.05492	1.6
80.70016	1.7
81.03422	5.8
85.02907	91.6
86.09706	1.7
87.04471	2.3
91.03973	7.2
91.05486	3.1
93.03400	6.3
97.02889	28.7
97.03481	1.9
99.04449	5.1
103.05479	2.7
107.04981	2.8
109.02260	1.5
109.02875	8.2
111.04456	17.4
115.03953	2.1
116.67059	1.5
121.66841	1.7
127.03912	21.0
131.04913	3.9
134.07178	2.0
135.04410	29.2
135.05359	2.5
139.03900	56.4
145.04964	40.3
161.26381	1.4
162.07477	1.4
163.03926	19.1
163.06058	6.5
163.07538	1.5
167.07077	1.7
180.08690	14.8
180.10219	6.5
181.04955	100.0
182.05270	1.4
198.07646	4.6
198.11276	5.2
207.08145	2.0
223.07501	9.1
235.07515	2.0
251.06975	2.6
297.07706	4.6
314.10263	3.9
327.37109	1.7
360.10718	5.1
360.17285	3.0
361.10587	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	360.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01874	4.2
57.03451	6.2
61.02942	9.6
65.03940	2.2
69.03436	20.2
69.80286	1.4
69.80640	4.6
70.06607	3.7
71.05007	3.5
73.02940	3.9
76.03632	1.3
79.05511	1.6
81.03418	8.4
83.11051	1.2
85.02911	89.1
87.04475	2.1
88.77932	1.1
91.03982	4.7
91.05499	1.5
93.03429	5.2
97.02897	25.0
98.06046	1.8
98.23243	3.0
99.04465	4.6
107.04977	3.5
109.02886	7.4
111.04468	13.1
121.51811	1.4
127.03912	26.2
130.06580	2.0
131.06908	2.5
135.04430	27.1
137.06026	2.1
138.03200	2.0
139.03912	42.5
145.04970	34.6
153.05522	1.8
155.08212	2.3
157.07677	5.0
158.06042	1.4
158.08011	4.4
159.04399	1.4
163.03934	11.6
163.06071	6.4
163.07367	1.5
166.02647	1.7
167.08174	4.1
168.08614	2.1
177.05475	1.5
180.08710	12.1
181.04973	100.0
182.05257	1.7
187.03871	1.7
191.03389	2.2
193.05066	1.4
194.02090	1.8
195.03021	1.7
198.07683	4.8
205.04982	3.2
209.04460	18.6
219.06586	3.0
233.04492	7.0
237.04019	1.5
247.06001	1.7
263.05585	1.9
275.05621	2.9
282.12149	2.8
283.12680	6.6
293.06595	2.3
301.13736	5.5
325.09247	2.7
359.18503	6.6
360.12949	4.6
360.18478	28.4
361.14746	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	360.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35455	0.3
53.03957	0.4
57.03426	0.5
61.02930	0.7
65.03954	0.9
66.62592	0.4
69.03438	1.8
70.06596	2.4
71.04995	0.7
71.44507	0.4
73.02911	0.4
79.05512	0.7
81.03428	0.8
85.02908	5.4
86.06069	1.3
86.09726	0.7
91.03996	0.3
93.03409	0.4
93.07003	0.4
94.80818	0.4
95.04975	0.5
97.02902	1.8
98.23048	0.4
99.34011	0.4
105.03449	0.5
105.04572	0.3
107.08612	0.9
109.02910	0.5
119.08619	0.5
121.02859	2.7
125.07140	1.0
126.94733	0.3
127.03896	1.7
128.08195	0.8
130.06514	1.3
133.02846	2.4
135.04442	2.2
144.06616	0.4
145.04980	2.4
146.06113	0.6
149.02353	100.0
150.02708	2.7
153.01865	0.7
156.07660	0.7
163.03915	68.9
163.07581	1.4
164.04237	2.4
167.03438	1.4
174.08795	2.8
174.11208	0.4
180.08696	1.2
181.04970	35.4
182.05305	1.3
188.07204	0.4
197.11662	0.7
198.12013	0.8
300.13486	1.9
360.16687	4.3
361.08948	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01886	0.7
57.03436	1.7
61.02920	1.7
69.03439	3.7
70.06583	0.9
71.04978	0.7
71.24097	0.6
71.24463	0.6
73.02911	1.2
78.40688	0.6
79.05515	0.6
81.03436	2.5
84.66167	0.5
85.02912	14.7
87.04483	0.8
91.03970	1.0
95.04974	0.7
97.02908	4.8
98.22839	0.8
98.98477	0.7
99.04480	1.0
103.05476	35.9
104.05831	0.7
105.07009	0.7
107.04956	6.1
107.08624	0.7
109.02885	1.4
110.90445	0.4
117.07063	0.6
119.08553	0.5
120.28030	0.5
121.06541	1.5
123.04445	2.1
127.03912	4.6
131.04938	100.0
132.05275	3.2
133.10139	0.6
135.08067	2.1
135.34642	0.6
137.05960	1.5
141.33075	0.5
145.04967	5.2
147.04437	1.2
149.05864	0.7
149.06940	0.9
150.07426	1.1
151.07542	0.5
163.03940	2.3
163.07552	42.8
164.07903	1.4
165.05402	0.7
165.06674	0.9
179.08221	0.5
180.08669	2.7
181.05026	1.6
181.06972	0.8
181.08600	14.8
190.08694	1.0
191.07054	4.0
194.40318	0.5
198.08209	0.7
198.09799	0.7
208.09691	6.6
221.18465	0.5
240.40765	0.5
280.10828	0.5
300.13205	0.7
360.14667	4.9
360.17767	2.3
361.09113	1.3
361.14374	1.6
361.18185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03486	4.8
54.94101	6.6
55.05524	26.1
67.05510	79.5
69.07072	37.6
71.05000	100.0
73.06573	6.7
76.98421	4.8
77.11051	5.5
77.51380	5.6
79.05502	73.1
81.07072	51.9
83.08641	20.6
85.06519	6.6
91.05501	27.5
93.07047	77.1
95.05018	7.4
95.08614	34.9
97.06516	7.8
97.10188	29.8
98.22676	8.7
98.23363	20.4
105.07059	18.1
107.08600	60.8
109.10167	60.4
113.49270	5.1
117.07061	7.6
119.08592	19.4
121.06506	7.2
121.10152	69.7
123.11658	6.8
125.09616	25.3
127.03939	5.5
131.08591	6.2
133.10159	12.7
135.08022	5.5
135.11694	9.6
145.10141	8.6
149.09593	6.8
153.12769	61.2
155.10716	15.5
159.11734	9.7
173.11763	95.4
189.11198	34.4
195.13853	11.2
227.16449	42.6
239.18037	6.1
247.93198	4.9
257.19016	9.4
275.20084	66.9
276.20380	6.6
307.22806	7.8
347.17725	6.6
375.69879	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	360.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
55.05514	7.0
57.07077	1.8
67.05499	3.4
69.07066	2.9
70.05086	1.4
70.05418	1.2
70.06593	34.9
71.08633	3.2
72.08155	100.0
73.08503	1.2
79.05501	2.1
81.07041	4.8
81.69195	0.7
85.06524	1.3
91.05486	1.9
93.07057	4.6
95.04968	5.0
95.08618	4.4
97.06531	1.3
98.06053	23.1
99.08075	2.0
105.07028	1.5
107.08593	3.6
109.06517	7.9
109.10175	1.8
109.45362	0.7
109.72018	0.7
117.07011	0.9
119.08560	2.2
121.06532	1.1
121.10159	1.0
126.09121	1.4
131.08540	1.9
133.10176	2.2
135.08051	1.0
137.09615	0.8
140.10709	5.9
145.10104	0.8
147.11703	1.5
149.13223	1.3
154.12268	2.2
157.10329	0.6
159.11754	1.0
160.11264	0.8
163.14789	0.9
165.12753	31.1
166.13170	1.5
168.13783	1.8
168.15105	0.9
173.13245	1.6
180.13860	1.1
182.15442	0.8
191.14220	1.8
201.12773	0.8
206.15381	1.3
208.16965	4.3
229.19551	1.0
238.18022	3.9
246.18475	2.9
262.21640	16.1
263.22382	0.7
271.20667	2.0
278.95694	0.7
289.21841	1.2
291.23212	1.4
342.27979	4.8
360.28973	36.6
360.33344	1.5
361.29242	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	361.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54619	0.4
54.68601	0.5
59.63232	0.4
67.05478	0.6
69.03424	1.5
71.45322	0.4
72.08195	0.5
79.05487	1.1
81.03408	0.7
81.07043	0.7
84.08118	0.6
85.02903	1.3
91.05476	0.9
93.07019	1.4
95.04959	0.6
97.02906	0.9
97.06525	1.0
98.32046	0.5
98.98487	0.7
105.07000	0.6
107.08579	3.5
109.06532	0.5
109.10107	0.6
117.06978	0.7
119.08532	0.6
125.09637	0.5
127.03871	1.3
131.36494	0.4
135.08046	5.7
137.05966	1.5
139.07390	0.5
145.04901	0.6
147.04369	0.8
153.01866	0.4
153.09073	2.1
155.07083	0.6
163.03896	0.8
163.07573	1.1
164.04202	1.1
165.05533	0.6
165.09111	3.3
169.02490	0.9
181.05070	0.7
181.08563	1.1
185.04210	12.0
197.04092	0.8
199.09415	100.0
200.09756	3.5
207.28687	0.5
215.05280	1.4
315.08383	0.5
343.07669	0.6
361.05264	1.1
361.08920	23.9
361.14539	21.6
361.18320	6.9
362.08643	1.1
362.15250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03947	3.1
53.03951	3.3
55.05508	11.0
57.07079	11.1
61.47005	3.6
65.03964	5.4
67.05500	26.1
68.99769	9.4
69.03437	7.9
69.07067	15.3
79.05493	25.8
81.07054	36.1
83.05016	4.4
83.54932	3.2
91.05491	46.0
93.06468	3.7
93.07042	60.9
95.04968	62.2
95.08627	16.5
96.86199	3.5
97.06535	20.1
103.05476	5.6
104.99270	12.4
105.04541	5.1
105.06351	6.1
105.07036	100.0
107.08574	35.2
109.06514	11.4
109.10156	15.3
111.00803	5.7
117.07016	21.8
119.08598	84.6
121.06529	10.1
121.10162	24.0
123.08066	3.7
128.06235	10.4
129.01842	88.8
129.07011	19.0
129.50720	3.6
130.07779	12.1
131.08578	49.4
133.10147	89.8
133.11140	4.9
135.11684	13.9
139.00290	7.0
141.07082	6.5
142.07782	22.9
143.08562	38.7
144.09386	8.1
145.10129	76.5
147.08040	4.1
147.11697	17.2
149.09694	5.7
155.08543	10.6
156.09372	16.8
157.01367	4.9
157.10132	48.4
158.10928	16.7
159.11725	23.7
161.09616	12.1
161.13234	3.7
165.07085	3.7
167.08630	4.9
169.10123	14.2
171.11694	20.5
173.09682	8.8
173.13245	47.0
175.14876	15.7
179.08582	5.9
180.09259	5.4
181.10120	13.0
182.10909	6.7
183.11685	11.0
185.08102	50.7
185.09660	4.9
185.13341	17.2
186.08426	4.1
187.14816	25.2
193.10190	8.2
195.11681	7.3
196.12456	8.1
197.13190	16.8
199.14813	19.5
206.10826	5.5
207.11674	10.3
208.12512	4.6
209.13295	15.6
211.14821	15.3
213.12589	3.6
213.16527	3.9
221.13272	11.5
223.14919	7.3
226.13617	3.9
239.18216	3.6
257.38959	3.4
265.19568	4.4
270.71338	3.4
277.19434	5.0
311.49228	3.5
360.37323	7.6
361.25247	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	1.4
57.03428	2.6
61.02933	6.5
69.03425	10.0
70.95328	0.7
71.04993	1.3
73.02915	2.4
81.03410	3.5
83.01357	0.6
84.16444	0.9
85.02906	41.7
86.03245	0.9
87.04440	1.6
91.03960	1.6
91.05489	1.1
91.15485	0.6
93.64075	0.7
97.02898	12.5
99.04443	1.6
103.03950	0.7
105.06961	0.9
107.04908	1.2
109.02882	3.0
123.04428	100.0
124.04746	2.5
127.03919	8.2
137.05978	8.0
145.04961	12.3
163.06023	2.0
165.05479	82.6
166.05794	2.6
180.08646	7.1
183.06548	16.9
183.10193	1.5
200.09198	1.9
226.11856	0.7
231.06410	1.0
249.07518	1.6
251.00618	0.8
261.86526	0.8
281.63474	0.8
314.23346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70452	0.9
53.03941	2.3
55.01867	2.3
55.05450	0.9
57.03430	2.8
61.02937	5.0
64.18252	0.9
69.03439	10.2
69.62754	1.8
69.63132	3.4
71.04984	2.3
73.02874	1.2
81.03412	5.8
85.02901	42.4
85.03416	2.1
91.03973	1.6
91.05496	1.6
97.02887	10.7
98.22729	1.4
99.04465	2.0
107.04963	13.1
109.02865	3.7
109.10071	1.0
109.82783	0.9
118.39257	0.9
120.51949	0.9
123.04430	100.0
124.04754	1.7
127.03927	6.7
128.94342	1.1
136.08400	1.3
137.05984	7.5
137.09679	1.0
145.04968	11.4
165.05476	71.9
165.09114	15.7
166.05847	1.9
180.08664	5.8
183.06523	11.6
183.10240	1.3
200.09186	2.2
205.89059	1.0
276.22443	1.3
281.07962	1.1
362.14127	1.2
363.16153	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	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52224	0.4
53.03935	0.5
54.50641	0.4
55.01867	0.7
57.03429	1.5
61.02940	2.4
67.05497	1.3
69.03436	5.3
70.03036	1.0
71.05006	0.8
73.02912	0.8
81.03419	1.7
81.07067	0.8
85.02910	19.9
91.03945	0.5
91.05475	1.6
92.00838	0.4
95.04988	0.6
95.08604	0.9
97.02897	4.6
99.04453	1.2
107.04951	1.5
109.02885	1.6
109.10148	4.4
117.07039	0.6
119.08573	2.7
123.04436	24.8
123.08080	1.3
124.04771	1.0
127.03915	3.0
129.07037	0.5
137.05980	3.2
137.09608	3.9
145.04948	4.9
147.08049	4.9
147.39821	0.5
147.52945	0.4
163.06088	0.6
165.05486	20.1
165.09119	100.0
166.05809	0.5
166.09477	2.9
176.20663	0.4
179.10791	0.5
180.08685	2.1
183.06601	4.4
183.08031	0.6
183.08575	0.5
183.10158	5.0
189.09148	2.5
200.09158	0.7
207.08046	0.4
207.10085	0.6
230.56641	0.5
235.07498	1.0
239.06956	0.7
273.11279	0.5
281.08066	0.9
291.12277	1.1
316.11917	0.5
339.07755	0.4
363.15982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05476	6.2
57.07077	48.7
67.05511	8.3
69.07060	14.6
71.08637	8.6
71.97234	1.6
72.08160	11.5
74.09719	100.0
74.82754	2.0
79.05443	4.3
81.07059	15.0
83.08588	1.8
85.06516	1.7
86.06035	3.3
88.07581	5.0
88.08079	1.5
88.71500	1.6
91.05441	5.5
93.07053	10.4
95.04965	14.4
95.08607	16.4
97.06481	4.2
99.08066	3.4
100.07576	1.6
104.99227	2.3
105.07050	8.3
107.08588	9.5
109.06515	24.1
109.10077	5.6
119.08526	6.0
121.06474	3.4
121.10072	4.5
125.47642	1.3
131.08481	4.6
132.10124	1.6
133.10025	4.9
134.30991	1.6
135.08002	3.6
135.11594	1.8
138.12733	2.1
142.12209	4.3
145.10054	3.7
147.11612	1.9
149.13144	3.3
151.14737	1.7
151.23016	1.7
153.12666	1.7
154.15985	1.6
156.13814	3.0
161.13132	2.1
163.14836	2.0
165.12755	85.7
166.13028	3.0
170.15273	3.8
173.13150	5.8
175.11105	2.8
176.28883	1.6
177.12669	1.8
184.13388	7.4
184.16888	1.7
191.14346	7.6
201.12683	4.1
208.16904	2.0
210.18507	10.3
229.19376	2.8
240.19389	5.3
248.20102	8.2
264.23218	28.1
270.27621	2.3
271.20401	6.4
289.21466	8.9
293.37463	1.6
320.71786	1.8
344.29504	7.5
361.78888	4.3
362.30234	61.6
363.19409	14.0
363.23767	2.8
363.30560	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	363.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09309	0.5
55.64488	0.5
56.96568	4.9
67.09357	0.5
70.03156	1.4
77.42180	0.6
87.51236	0.5
98.97581	100.0
110.97602	1.5
116.98621	29.3
128.98622	1.0
130.08633	0.6
134.99661	5.4
137.05923	0.6
153.01822	0.7
158.99651	51.5
159.99959	0.7
177.00713	41.7
183.03366	0.6
187.71388	0.5
195.01733	1.9
200.02281	1.0
201.04341	1.2
219.01758	36.0
237.02866	1.9
243.05397	2.3
303.07501	11.9
321.08514	13.1
363.09772	16.5
363.16315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89017	2.7
70.94269	4.6
84.89381	3.1
86.61092	3.0
93.80345	3.4
110.88011	2.9
131.38835	3.2
295.24063	3.7
363.10513	100.0
363.94550	3.1
364.11215	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	363.1055
Annotation	Flustramine F
Peak:m/z	Relative Intensity
68.97678	3.1
69.39693	16.2
72.66972	3.1
74.94712	3.2
87.00574	3.1
92.83301	3.2
98.22684	6.6
98.23350	7.9
101.10919	3.1
101.38924	2.8
120.27920	3.5
179.18922	3.3
325.50381	3.4
363.10504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	23.0
57.03449	6.6
61.02919	8.2
67.61273	4.5
69.03435	12.2
71.04995	7.0
71.44647	4.9
73.02909	11.7
81.03384	6.8
85.02900	36.1
87.04447	7.3
89.04465	4.7
97.02901	17.9
98.97591	38.9
109.02865	7.6
110.97593	7.7
116.98624	19.3
127.03926	6.7
135.04395	8.1
139.03865	6.1
143.00227	7.0
153.01822	20.3
158.99623	5.0
161.01292	5.5
161.03041	7.5
163.03964	24.5
167.03506	5.9
177.00699	8.2
204.55241	5.3
219.01776	25.5
226.06129	9.0
226.56136	16.8
227.06667	12.4
228.05673	12.8
237.02859	19.6
237.06273	6.2
253.10855	5.4
271.10312	5.9
273.08264	6.0
303.01401	6.9
326.05435	4.9
328.67001	5.5
363.06436	18.8
363.10464	100.0
364.11002	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	365.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48503	3.6
56.96557	21.9
70.50304	4.7
79.07627	3.4
93.66911	3.3
98.97576	22.4
105.16973	3.5
110.97592	9.4
116.98550	7.5
118.70871	4.2
125.05322	4.2
128.98613	7.9
175.83611	4.3
195.03261	9.2
202.78770	3.8
219.01866	12.2
221.01251	3.8
237.02878	10.2
239.02385	13.7
250.09718	3.6
257.03275	10.6
287.10690	4.1
351.20581	4.1
365.06161	100.0
365.11072	11.2
365.21658	4.4
366.06372	4.4
366.11066	7.0
383.06381	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	365.064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33155	1.2
56.96570	1.9
70.79653	1.7
73.72735	1.0
76.25922	1.1
98.22994	2.3
100.85999	1.1
112.41257	1.1
124.99155	1.4
139.15752	1.1
146.22990	1.1
147.01762	1.1
165.96155	1.2
185.04263	18.7
203.05283	43.5
220.83281	1.1
291.10126	1.5
321.10785	1.3
365.00311	3.6
365.10843	100.0
366.10797	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
67.05528	1.1
67.06972	0.4
67.79588	0.4
69.03452	0.6
69.07085	0.9
71.05016	1.5
79.05508	0.7
80.12348	0.3
81.03439	0.5
81.07082	1.4
81.87029	0.4
83.05003	0.5
85.02938	0.8
85.06564	0.8
87.58957	0.3
91.05489	0.8
93.07053	1.3
95.04980	0.7
95.08644	1.0
97.06587	0.5
105.07030	0.8
107.08625	1.5
109.06506	0.7
109.10162	2.4
111.08098	0.5
121.06512	0.5
121.10156	1.6
123.08035	0.7
123.11755	0.9
133.10201	0.7
135.11665	0.5
139.11197	0.7
149.09593	0.6
151.11119	0.6
167.10686	2.1
169.12274	2.6
171.00549	1.1
173.13249	0.6
185.04187	6.5
185.11755	0.7
187.13272	1.5
203.03148	100.0
204.03493	3.3
210.47804	0.3
245.09138	0.6
275.06970	0.5
275.19919	0.6
291.09882	0.5
293.21182	1.0
303.06448	0.7
305.11279	1.0
311.21970	1.0
321.11066	1.0
335.08878	0.5
365.08316	40.4
366.08539	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71120	2.7
71.42437	3.5
75.52763	2.3
83.12762	2.5
92.50481	2.6
121.52997	3.0
136.31706	2.6
185.04221	25.9
203.05270	48.0
284.69012	3.3
352.40732	3.0
365.08774	96.7
365.10269	100.0
366.08862	6.4
381.45755	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	365.1022
Annotation	Justicidin B
Peak:m/z	Relative Intensity
70.06595	0.9
74.05450	0.3
79.05505	0.4
81.07021	0.6
98.23434	0.9
115.78251	0.4
132.41063	0.4
142.66740	0.4
174.49323	0.4
189.07013	1.2
190.07820	0.6
191.08586	0.8
196.12230	0.4
202.07767	2.4
203.08585	1.6
204.05603	0.4
205.06447	1.7
207.08073	0.7
216.05798	0.5
217.06514	1.8
218.07278	2.8
219.08061	6.7
220.08844	2.4
229.06441	0.5
230.07227	1.8
231.08041	2.1
232.05240	0.4
232.08809	3.1
233.05956	2.3
235.07527	1.5
236.08267	1.0
245.06046	2.2
246.06796	6.6
247.07547	10.5
248.08325	6.7
249.05528	1.0
249.09084	1.0
251.10715	1.4
258.06842	1.0
258.26993	0.7
259.07672	1.9
260.05231	0.6
260.08344	7.4
261.05685	1.8
261.08868	2.7
262.06070	0.9
262.09778	1.8
263.07068	1.7
263.10709	7.4
263.65344	0.4
264.07806	1.6
264.10895	0.6
265.08554	0.7
273.05569	0.8
274.06277	2.1
275.07016	12.5
276.07800	5.9
277.08517	2.7
278.06046	0.4
278.09360	1.7
279.10117	1.9
288.07855	0.5
289.08566	7.8
290.05634	1.0
290.09351	1.4
291.06573	2.4
291.10156	12.3
292.07370	1.2
292.10663	0.7
293.08044	0.4
293.11710	0.9
301.29376	0.6
302.29681	1.3
303.06506	15.0
304.07092	2.4
305.08115	1.1
306.08813	0.7
307.09665	5.2
309.11121	0.4
317.08041	1.1
319.06146	0.8
319.09567	3.4
320.06754	0.9
320.10107	0.9
321.11203	21.2
322.11591	1.5
326.64667	0.4
332.07114	0.4
333.07501	3.0
334.07581	0.4
335.09119	12.7
335.13214	0.6
336.09430	0.6
337.10724	0.6
339.74658	0.4
347.09158	2.7
364.33273	6.2
365.10202	100.0
365.33679	0.8
366.10519	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	365.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97680	0.7
55.05511	1.4
67.05507	2.9
69.03438	1.0
69.07066	1.0
71.05009	1.0
71.44400	0.9
74.63913	0.8
79.05508	0.9
81.03439	0.9
81.07060	2.8
82.51652	0.8
83.08631	1.0
85.51850	0.9
91.05513	1.6
93.07072	1.7
94.06561	2.0
95.04909	0.8
95.08617	2.2
97.06517	1.3
105.07018	0.9
109.10168	7.9
119.08632	1.0
120.04487	1.1
121.10136	0.9
122.06049	4.1
123.11745	2.3
136.03946	0.8
136.07545	1.6
137.04788	1.5
150.05522	1.1
151.06328	5.7
152.07085	76.5
153.07446	3.0
166.08658	53.8
167.09052	1.6
167.10681	1.5
168.06645	1.0
168.11050	1.6
169.12254	2.5
184.11302	1.0
185.15402	2.3
187.13171	1.0
189.47641	0.8
193.12305	1.3
194.08153	90.8
195.08505	3.0
198.07712	1.5
199.12273	1.6
203.05267	1.9
205.60934	0.8
210.09149	2.8
211.08701	1.5
212.09206	100.0
213.09573	4.1
227.11810	5.4
240.09026	3.7
241.09718	6.9
255.11313	22.3
256.11691	1.4
276.07779	1.1
283.10791	3.2
289.88370	0.9
291.10071	0.9
301.11841	8.5
303.06488	1.1
321.11279	1.8
334.22415	0.9
335.09140	1.3
365.10242	12.7
365.15173	1.9
365.19681	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	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85152	0.4
62.22112	0.4
64.97820	0.6
67.05497	0.5
69.07097	0.4
76.29458	0.5
81.07068	0.7
98.22724	1.3
109.10158	0.4
123.08059	0.7
192.28668	0.6
205.08324	0.7
205.94063	0.5
217.11488	0.5
248.08336	0.5
249.14830	0.6
267.15778	0.6
275.07016	0.5
289.08539	0.9
291.10135	0.8
295.14835	0.6
303.06525	1.7
321.11130	1.2
335.08978	0.8
347.22061	1.0
358.39493	0.6
365.10358	7.3
365.22971	100.0
366.10504	1.1
366.23355	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21240	2.6
53.03941	4.4
55.05513	16.6
57.07054	8.4
59.05003	4.5
64.97796	3.4
65.03940	4.0
67.05500	23.7
69.03427	6.1
69.07074	15.6
70.65730	3.1
79.05494	26.0
81.07050	27.9
83.04977	4.9
83.08614	7.7
85.06538	4.2
91.05479	48.8
93.06519	4.5
93.07047	45.4
95.04969	44.1
95.08613	21.6
97.06506	8.4
98.97600	2.6
103.05463	3.5
105.04528	2.7
105.07028	72.5
107.08585	30.8
109.06512	11.9
109.10159	23.6
115.05466	3.9
116.06266	2.8
117.07023	17.6
119.08582	58.7
121.06497	3.2
121.10150	39.3
123.08062	7.6
128.06204	10.6
129.06998	18.5
130.07767	3.5
131.08565	42.0
133.10130	21.8
135.08025	11.4
141.06947	9.8
142.07791	20.2
143.08569	35.1
144.09303	12.2
145.06520	3.5
145.10104	42.8
147.08022	8.5
147.11725	12.5
149.09590	10.2
149.13208	3.6
151.07533	2.7
153.06911	4.8
154.07640	3.1
155.05977	3.0
155.08528	17.8
156.09344	16.4
157.10120	42.1
158.10803	8.5
159.08034	5.9
159.11702	19.6
161.09578	12.2
161.13223	5.6
165.06918	8.3
166.07744	4.8
167.08502	10.8
168.09308	10.8
169.10104	27.5
170.10895	7.2
171.08015	3.1
171.11696	24.5
172.12383	3.3
173.09590	10.1
173.13274	40.3
174.13570	3.7
175.11191	9.7
179.08521	10.0
180.09271	9.7
180.10728	2.9
181.10059	15.7
182.10855	13.9
183.11685	32.1
184.12376	6.4
185.09676	3.6
185.13248	12.8
187.11115	6.8
187.14743	5.9
189.12747	4.5
191.14308	22.5
192.09314	8.6
193.10143	17.5
194.10870	8.7
195.11688	22.2
196.12411	10.1
197.09656	3.5
197.13269	20.3
198.13889	6.5
199.14798	5.1
201.12709	11.2
203.14229	3.0
205.10071	6.2
206.10889	7.5
207.11705	23.7
208.12418	8.4
209.13239	22.2
210.10338	3.9
210.14088	3.3
211.11165	4.1
211.14784	14.3
215.14355	3.8
216.15076	4.4
217.10120	3.8
217.15913	4.0
219.11649	7.8
220.12387	7.0
221.13309	19.1
222.13940	5.0
223.11256	2.9
223.14812	10.9
224.15337	3.3
225.12666	7.7
225.16342	4.1
227.14262	4.6
231.11633	4.2
232.12419	4.1
233.13191	8.4
234.13995	4.6
235.14790	8.1
236.15485	3.4
237.16347	7.2
239.14355	4.7
241.15919	4.7
245.13104	3.4
247.14796	8.4
248.15698	4.2
249.12601	4.5
249.16412	15.8
251.14262	4.1
251.17896	8.7
253.15872	4.6
255.17433	3.8
259.14752	3.8
261.16129	3.4
263.17978	9.3
264.18790	6.6
265.16034	6.5
265.19318	5.2
267.17477	7.7
269.18896	3.2
273.16214	5.9
279.17371	3.2
281.18890	8.2
282.19495	3.1
289.08493	2.7
291.17358	8.2
297.18323	3.2
303.06708	3.2
305.18768	4.3
309.18301	3.8
319.24231	3.2
321.11066	4.0
337.25125	6.0
347.23660	26.1
365.10242	29.2
365.24661	100.0
365.31250	4.4
366.25043	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15687	2.4
54.09268	2.3
55.05503	11.6
57.03426	2.9
57.07073	7.0
64.97826	2.7
67.05153	2.3
67.05501	16.1
69.03417	8.2
69.07056	12.4
71.44101	3.2
79.05501	14.7
81.07063	17.9
83.04972	4.1
83.08608	5.0
85.06558	2.7
91.05479	26.3
93.07047	30.2
95.04965	36.9
95.08602	23.4
97.06543	5.0
97.10188	3.6
103.05429	2.6
105.07036	35.2
107.08594	25.7
109.06501	10.6
109.10154	14.7
111.92252	3.5
115.05497	4.2
117.06995	7.4
119.08582	39.4
121.06523	5.9
121.10126	31.5
123.08088	6.4
123.11670	3.1
128.06172	3.1
129.07040	14.8
130.07829	5.2
131.08569	23.1
133.07675	2.9
133.10112	17.7
135.08066	8.8
135.11586	3.9
141.06969	5.9
142.07793	10.5
143.08563	26.6
144.09325	4.8
145.10121	27.1
147.08046	21.6
147.11673	10.4
149.09651	4.2
153.06987	3.9
154.07800	2.8
155.08542	11.8
156.09354	12.3
157.10133	33.2
158.10870	5.0
159.08083	5.8
159.11678	20.4
161.09631	7.8
161.13278	4.0
165.07014	7.7
167.08556	9.2
168.09351	3.6
169.10117	20.0
170.10854	6.3
171.11681	19.3
173.09639	6.0
173.13257	12.3
179.08586	9.8
180.09296	5.9
181.10089	14.6
182.10881	7.7
183.11708	21.9
184.12389	6.8
185.13242	10.5
187.11119	3.3
191.08502	4.4
192.09355	4.3
193.10147	16.1
194.10869	5.8
195.11728	21.4
196.12399	5.5
197.09584	4.4
197.13181	15.8
198.13948	4.0
199.11067	4.1
199.14812	13.5
201.12788	5.5
206.10915	8.0
207.11656	21.6
208.12477	10.8
209.13246	19.3
211.11452	3.0
211.14816	9.5
213.12648	4.9
215.10498	2.9
217.10107	3.8
217.15961	5.3
219.11702	8.2
220.12444	3.9
221.13316	15.1
222.13924	7.3
223.11176	4.7
223.14813	11.0
225.12703	8.8
225.16232	3.1
231.11754	5.5
232.12532	4.3
233.13235	8.9
234.14046	4.8
235.14793	8.4
237.16359	10.3
239.14331	3.7
239.17848	5.5
245.13113	4.0
247.07477	4.0
247.14816	9.6
249.16559	13.9
251.14244	3.5
251.17934	6.8
253.15736	4.6
256.18076	2.8
259.14713	3.8
261.12860	3.7
261.16269	3.5
263.14084	4.7
263.17972	7.4
264.18811	4.0
265.15906	9.1
267.17426	7.1
269.19016	3.7
273.16290	4.4
279.17429	3.7
281.19131	5.8
289.08575	3.9
291.17389	7.6
303.06488	3.5
307.20282	4.4
321.11243	5.0
329.22775	6.7
331.57639	3.4
337.25272	7.2
347.23709	28.9
365.10120	28.2
365.24731	100.0
366.10675	5.2
366.25064	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01870	2.8
55.05514	3.0
57.03437	3.3
59.05004	11.2
60.04545	1.3
61.02924	3.5
67.05506	17.0
69.03432	5.2
69.07081	4.6
71.04978	6.4
72.74320	1.2
78.07847	1.4
79.05511	1.9
81.03438	2.7
81.07063	23.1
83.08629	4.8
85.02909	22.0
85.06560	5.9
91.05485	2.7
93.07045	28.3
95.04980	24.0
95.08591	10.2
97.02878	7.8
98.07304	1.3
98.23514	3.5
99.04443	7.3
99.08102	2.6
105.07034	2.9
107.08585	26.3
109.02914	2.5
109.06535	12.0
109.10157	72.4
110.10448	2.9
111.08079	14.7
113.06036	1.4
121.10151	5.5
123.08071	12.3
123.11711	60.1
124.11979	1.9
127.03926	3.2
127.11280	1.7
129.09171	1.7
133.10190	3.5
139.11180	32.2
141.12743	3.4
145.04933	3.2
151.07634	6.4
151.11183	40.6
157.12260	2.7
161.03885	1.3
163.11221	1.5
169.08656	3.4
169.12241	100.0
170.12630	3.3
182.08192	1.5
187.09723	3.0
187.13300	85.7
188.13632	3.0
203.03221	2.9
204.03537	4.7
254.97067	1.3
281.14587	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29241	0.9
53.44947	1.0
55.05505	1.2
57.03432	1.2
57.07087	2.1
61.02941	1.1
67.05507	3.8
69.03430	2.7
69.07072	4.5
70.95911	1.7
71.05003	3.5
79.05512	1.7
81.07059	18.9
85.02906	3.7
85.06578	1.6
91.05497	1.5
93.07070	1.6
95.05009	1.2
95.08613	4.5
107.08623	3.8
109.06522	1.7
109.10147	16.6
121.10133	1.5
123.08088	2.8
123.11710	100.0
124.12010	2.3
133.10165	4.1
134.05969	1.1
141.12781	2.7
147.09198	3.3
151.07576	1.6
151.11189	16.2
159.90556	1.0
162.05507	3.5
169.12248	49.6
170.12595	1.9
185.04262	3.5
187.13295	21.4
187.14873	1.8
205.08409	8.2
242.58968	1.0
247.63943	1.0
278.08884	1.4
281.14981	5.2
313.11865	2.5
343.45456	1.0
343.79581	1.2
366.10416	5.1
367.13647	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	366.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78006	0.7
55.01869	0.8
55.05502	2.1
57.03468	1.1
57.07082	1.6
67.05173	1.0
67.05514	13.7
69.03432	2.0
69.07079	2.8
69.49784	3.4
71.05000	22.3
72.40788	0.7
79.05493	3.0
81.07071	11.5
83.04977	1.2
83.66855	0.6
85.02899	6.2
85.06553	38.8
91.05486	11.2
93.07052	4.4
95.08613	1.7
97.02902	1.3
98.22797	1.8
98.23445	1.6
99.04465	0.9
105.07056	7.6
107.08609	10.8
109.06518	1.6
109.10167	25.1
109.50734	0.8
120.96249	0.7
123.11685	3.7
127.03966	0.8
133.10144	38.9
134.10472	1.7
136.80128	0.7
151.11194	33.8
169.12262	32.1
170.12590	1.3
187.13309	100.0
188.13611	4.3
213.73476	0.8
223.78079	0.9
240.74017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.9597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68416	0.7
59.61859	0.9
69.30891	4.0
76.54422	0.7
87.23991	0.8
94.93018	0.8
120.29362	0.9
136.94048	2.1
162.95578	0.9
176.64655	0.8
225.14192	0.8
268.98248	100.0
269.98590	2.2
306.93756	2.0
307.25031	0.8
358.86118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14250	15.7
69.48277	36.5
69.48682	39.0
90.89971	15.8
101.77433	15.8
108.04533	20.7
121.67807	18.1
131.06546	15.3
132.48174	16.7
151.03964	18.9
172.64197	16.9
201.15996	19.0
241.03979	19.0
282.73300	17.2
367.08041	51.8
367.08844	48.5
367.14026	100.0
368.13953	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	3.3
62.09579	2.6
64.81023	2.6
69.44402	12.9
83.63257	2.8
85.02961	3.5
89.02318	2.8
107.08564	3.1
107.64584	3.1
108.04485	2.8
128.08595	2.9
136.00568	2.9
151.03941	4.5
158.11916	3.9
168.06491	4.6
182.08127	4.3
220.68553	2.8
223.02776	3.4
367.07938	100.0
367.13733	42.2
368.13950	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41131	1.4
63.41232	1.5
66.35187	1.6
69.89250	4.9
98.22746	2.9
210.71034	1.6
211.77229	1.8
268.98273	10.9
367.10077	100.0
368.10345	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.7
59.01691	3.5
62.78577	2.9
69.17699	22.6
73.99962	3.1
84.09866	3.5
94.93024	5.1
98.23450	4.9
128.98647	3.7
130.08592	4.4
136.94101	3.2
141.86469	3.0
203.05321	3.6
205.05722	3.9
224.94081	3.5
232.92198	8.1
268.98215	69.7
367.00778	3.5
367.02121	5.6
367.10199	100.0
368.10123	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	367.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01847	3.3
57.03440	4.7
57.44602	0.7
58.27833	0.7
61.02887	0.8
62.02427	2.9
69.03429	17.0
69.45753	1.3
69.46151	2.3
71.01325	2.3
71.05000	5.9
73.02876	1.4
79.95165	0.8
81.03004	0.8
81.03413	6.4
91.68730	0.8
91.91291	0.8
95.08557	1.2
97.02873	1.8
97.87817	0.9
99.04444	6.4
107.08597	1.2
110.98094	0.7
111.04425	0.9
117.05463	4.7
118.06534	1.8
132.08061	1.2
133.02792	0.8
135.06523	6.2
145.07594	11.5
147.04454	1.1
147.09143	9.7
159.09160	14.5
160.09885	1.7
173.07057	1.7
173.10721	1.4
175.08681	2.8
178.07025	2.1
185.10768	6.9
186.11482	0.9
187.08665	4.0
187.12288	1.9
190.09750	65.3
191.08150	100.0
192.08484	4.0
197.10742	3.6
199.08693	2.6
199.12273	4.2
200.09470	1.1
201.10202	1.8
211.08707	2.0
213.10193	2.9
215.11803	4.2
217.09871	0.8
225.10223	6.1
227.11745	1.4
229.09810	0.8
243.11284	3.3
245.09331	1.1
245.12846	1.2
250.55814	0.8
253.09763	1.7
263.13889	3.5
271.10742	7.5
281.14978	1.2
288.13406	1.8
289.11792	13.7
306.14459	45.8
307.12405	5.0
324.15497	17.7
325.15723	1.7
349.14880	1.0
350.13608	0.8
367.16193	72.6
367.20804	6.3
368.16443	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	367.1888
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
56.96572	22.6
65.90884	2.5
69.07079	3.2
70.55459	4.7
73.24894	2.3
74.12703	2.3
79.05487	3.9
81.07036	9.7
86.87794	2.2
93.07094	2.8
98.23009	3.0
105.06993	3.7
110.97559	5.3
120.59601	2.1
121.10114	2.2
128.98643	3.3
141.02184	2.5
146.99657	3.1
164.48341	2.7
167.91623	2.2
198.62968	2.2
199.06496	3.4
205.07451	2.7
211.37578	2.3
213.07977	6.4
217.07506	3.7
225.07928	3.3
229.07445	6.4
231.09007	9.3
247.08545	4.3
251.09476	6.4
255.09039	6.5
259.12186	4.5
269.10641	32.9
273.10104	3.9
277.11545	2.4
280.09723	3.0
287.11606	8.9
331.15796	9.0
349.16873	15.0
349.23544	2.9
367.17834	100.0
368.17993	6.9
382.09848	3.3
385.19092	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
53.19170	2.6
55.05511	22.9
57.07072	9.1
59.04993	5.1
65.03943	3.4
67.05504	34.1
69.03426	5.3
69.07068	23.8
70.70043	2.0
71.04989	8.4
77.03929	2.7
79.05489	32.5
81.07054	53.8
83.04993	4.4
83.08628	11.1
85.06530	4.8
91.05479	44.7
93.07047	75.2
95.04967	37.5
95.08606	54.2
97.06531	9.8
103.05478	2.8
105.04539	3.5
105.07034	87.0
106.07339	2.3
107.04994	2.6
107.08596	60.1
109.06503	12.5
109.10159	41.6
111.08084	6.1
115.05432	5.4
116.06216	2.9
117.07033	15.3
119.08582	100.0
120.08894	3.5
121.06513	13.3
121.10145	52.0
123.08074	7.6
123.11703	15.2
128.06197	11.1
129.07002	14.3
130.07788	9.5
131.08554	52.8
131.09297	2.3
132.90875	2.4
133.10117	58.1
134.10660	2.1
135.08080	13.8
135.11703	23.7
137.09592	7.0
141.07024	4.9
142.07782	14.8
143.08568	40.7
144.09384	11.3
145.10129	74.1
146.07288	4.5
147.08078	15.4
147.11665	18.9
149.09592	17.6
149.13266	8.6
151.11205	3.0
153.06998	3.0
155.08589	12.3
156.09360	9.5
157.10135	54.1
158.10866	6.2
159.08061	7.4
159.11696	45.3
161.09608	41.4
161.13257	9.3
163.11192	5.6
163.14816	2.9
167.08546	5.1
168.09309	4.3
169.10164	18.4
170.10870	7.3
171.11696	34.5
172.12404	4.3
173.09616	7.8
173.13257	27.3
174.13786	3.0
175.11209	7.7
175.14813	18.2
177.12776	2.7
179.08553	10.0
181.10071	11.0
182.10915	4.7
183.11714	16.1
183.85512	2.2
184.12332	5.6
185.09644	6.1
185.13213	15.8
187.11148	3.8
187.14842	14.0
189.12796	5.2
191.14336	2.9
193.10077	2.7
194.10922	7.5
195.11584	11.6
196.12363	3.7
197.13232	17.2
198.13989	2.7
199.11118	3.2
199.14839	16.9
201.12712	6.3
201.16377	8.1
207.11731	4.5
209.13260	22.8
210.13948	4.1
211.14835	15.2
213.12718	5.8
213.16457	7.5
217.15979	3.2
221.13316	6.2
223.14882	7.6
225.16380	6.7
227.14345	17.4
229.10471	3.7
229.15706	3.2
237.16396	3.5
239.18065	10.6
241.19467	3.4
251.18022	2.5
253.19435	5.1
255.17615	5.5
257.18994	3.5
265.19476	6.5
267.17377	3.8
269.18896	3.6
271.20612	3.1
275.17841	2.8
284.21426	3.0
291.21341	2.4
293.18878	3.0
314.01639	2.3
349.25250	8.4
355.51907	2.3
367.26035	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	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
55.05508	7.5
57.07076	2.9
67.05195	0.9
67.05494	4.9
69.03429	3.8
69.07063	6.5
69.98023	2.7
71.05036	0.9
71.08630	1.4
72.04517	91.7
79.05495	6.8
81.07047	5.7
83.04994	3.1
83.26592	0.9
89.16055	0.9
91.05497	3.8
93.07050	14.0
95.04998	1.7
95.08599	3.5
97.02885	12.5
97.03400	1.2
97.06570	1.3
97.10191	4.4
98.23533	1.1
100.07614	1.9
105.07043	2.8
105.64371	0.9
107.08604	3.2
109.06511	1.0
109.10194	1.7
111.04436	8.4
113.06016	2.7
114.09171	9.3
119.08601	2.4
121.06490	7.8
121.10143	9.9
123.04428	23.7
123.08194	1.2
125.05990	1.5
128.10739	5.8
131.08565	11.1
133.10161	1.1
135.08017	1.1
137.05960	1.3
139.11177	2.7
142.12244	2.1
146.03818	1.0
147.08102	2.9
149.09636	14.0
161.13275	3.7
167.10690	16.9
171.11667	2.3
184.16965	65.2
185.17349	2.1
188.16849	0.9
189.12782	4.5
199.11256	1.6
202.18015	100.0
203.18401	3.3
217.12242	1.1
235.13400	2.7
236.07256	0.9
241.52950	1.0
253.14351	9.0
262.18015	1.7
264.70740	1.0
280.19067	45.6
281.19199	2.4
281.64575	1.1
350.26920	1.9
368.27917	9.7
375.28610	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60474	0.4
55.01871	1.0
55.05507	6.5
57.03426	0.6
57.07074	3.1
67.05502	3.4
69.03428	2.0
69.07068	5.6
70.13111	0.4
71.04969	1.0
71.08618	1.0
72.04514	86.7
73.04830	0.8
79.05492	5.2
80.44493	0.4
81.07059	6.3
83.04971	2.8
83.08595	0.6
85.06538	1.1
88.07639	1.0
91.05467	3.6
93.07047	10.7
94.07383	0.4
95.04942	2.2
95.07970	0.4
95.08605	2.2
97.02894	10.7
97.06541	2.6
97.10172	3.2
99.04472	0.7
99.08079	1.1
100.07608	2.1
105.07024	1.6
107.04941	1.0
107.08578	1.1
111.04452	4.8
111.11655	0.5
113.05988	3.3
114.09165	10.5
119.08546	0.7
121.06501	5.7
121.09269	0.6
121.10143	11.2
123.04415	1.2
123.11755	1.0
125.06003	1.6
128.10709	5.3
131.08568	11.9
132.08928	0.5
139.11182	3.0
142.12254	1.5
149.09618	12.5
150.09984	0.6
155.52998	0.4
155.54297	0.5
167.10670	15.8
168.11024	1.5
183.13834	0.6
184.16965	61.2
185.17299	1.9
202.18013	100.0
203.18396	3.6
229.61028	0.5
253.14220	0.6
280.19055	2.2
326.96323	0.5
351.14993	0.4
368.27988	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	369.1181
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.32277	0.4
60.51943	0.3
63.02380	0.5
69.55981	1.3
77.58276	0.4
78.04740	0.5
83.04996	1.0
83.28963	0.3
89.03918	7.2
89.83587	0.5
95.04984	0.7
103.17578	0.4
106.04117	0.6
117.03375	23.7
119.04874	0.3
129.04524	0.4
134.03618	1.6
135.04414	1.7
145.02843	57.5
146.03162	2.4
149.05975	8.2
150.06265	0.5
154.20456	0.4
161.79373	0.4
163.03893	0.9
167.93001	0.4
177.05461	100.0
178.05792	2.5
195.06535	0.5
207.13762	0.5
230.00819	0.4
294.81198	0.5
307.60913	0.4
324.91321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56424	0.5
57.40271	0.4
63.02385	0.9
66.67572	0.4
67.34434	0.5
71.46648	0.8
74.76835	0.4
78.04707	0.5
83.04986	0.6
85.68973	0.5
89.03910	8.1
90.04266	0.5
110.14486	0.5
117.03375	20.7
118.03697	1.1
134.03638	2.0
135.04417	0.8
145.02841	55.4
146.03143	2.7
149.05969	6.8
163.03917	0.6
177.05464	100.0
178.05840	3.6
186.05504	1.0
231.37511	0.6
248.17610	0.5
305.45639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03945	3.1
55.01871	1.2
57.03436	1.8
61.02920	0.5
63.79561	0.3
64.47758	0.4
65.03953	1.3
69.03431	8.1
69.32923	1.6
71.04994	1.5
73.02918	1.6
74.88014	0.3
76.03193	0.4
77.03932	0.4
79.05515	0.4
81.03416	27.4
82.03757	0.5
85.02905	8.5
89.03949	0.4
91.05479	27.8
92.05820	0.5
93.07031	0.6
94.33024	0.3
95.04987	0.5
97.02890	2.1
99.04459	3.4
101.02345	0.4
101.03931	0.5
103.05492	1.1
105.07015	0.9
107.05015	0.4
107.08610	0.5
108.05824	0.4
109.02882	9.2
109.06506	0.5
117.03350	0.6
118.04173	0.8
119.04942	39.2
120.05283	1.2
127.03928	3.3
129.03372	0.7
129.04430	0.4
131.08592	0.4
132.02049	1.8
133.02914	0.6
133.10130	0.8
135.04391	0.6
136.05197	0.5
137.09604	0.7
137.90517	0.3
145.02866	0.9
147.04407	32.5
148.04781	1.4
149.02348	2.0
149.03419	0.3
151.07565	0.6
157.03969	4.7
161.09634	0.7
164.04691	1.4
175.03906	55.9
176.04242	2.2
177.05515	0.5
179.07004	2.6
189.12726	0.9
192.04141	3.5
207.06520	100.0
207.13824	1.0
208.06808	4.0
225.07541	2.2
235.87090	0.4
309.09680	1.2
351.10742	33.6
352.11057	2.7
369.11475	3.7
369.18839	0.8
369.22778	0.4
376.13266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.8
55.01863	0.8
55.05499	0.7
57.03436	1.5
65.03938	1.1
67.05501	0.6
69.03432	9.2
69.46606	0.7
69.47006	1.4
70.30297	0.4
70.59701	0.4
71.01379	0.4
71.05013	1.1
73.02924	1.1
79.05486	0.8
81.03421	21.5
81.07076	0.7
85.02905	7.5
89.03905	1.1
91.05485	27.9
93.07039	1.1
95.04964	0.8
95.08636	0.8
96.05355	0.4
97.02892	2.3
99.04450	2.9
101.03967	0.4
105.07035	1.4
107.04952	0.6
108.12075	0.5
109.02879	7.7
109.10162	0.6
117.03419	0.8
118.04173	0.8
119.04949	39.7
119.08598	1.5
120.05302	1.2
127.03932	3.1
129.03394	0.9
131.08580	0.7
132.02074	1.4
133.10135	1.2
134.92989	0.5
135.04419	0.5
145.02852	1.4
147.04413	34.4
149.02332	1.4
151.07594	1.0
157.03990	4.2
161.09602	1.3
164.04678	1.5
175.03914	54.8
175.11116	0.5
176.04259	1.9
177.05437	1.1
179.06973	2.2
189.12709	0.8
192.04158	2.5
207.06529	100.0
208.06865	4.4
219.79059	0.4
225.07568	2.4
309.09750	1.0
351.10767	27.0
352.10971	1.5
369.11798	3.4
369.18726	1.8
369.22748	0.7
373.71411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05513	1.1
59.04997	0.6
68.21883	0.6
69.03448	4.3
69.07065	2.3
69.55650	2.6
71.04998	1.1
78.31760	0.6
79.05485	1.7
81.03423	1.4
81.07063	1.6
83.05003	0.9
85.02916	7.1
88.60547	0.7
91.05486	4.5
93.07044	2.7
95.04970	2.3
95.08617	1.7
97.02899	1.8
97.06526	1.6
105.07036	8.7
107.08598	3.2
109.06516	3.8
109.10175	0.8
111.04449	1.1
116.68073	0.5
117.03320	0.8
117.06996	1.1
119.04970	3.2
119.08594	6.6
121.06502	5.0
121.10152	1.8
123.08073	3.3
127.03907	1.6
129.06987	0.7
131.08545	3.8
133.06496	4.8
133.10121	2.2
135.08078	1.5
137.09596	2.2
139.07562	7.5
142.07745	0.6
143.08543	2.9
145.02859	1.0
145.04962	1.1
145.10139	2.8
147.04350	1.6
147.08054	4.5
147.11682	4.2
149.09621	25.9
150.09956	1.1
151.07555	6.6
156.09383	3.3
159.11763	1.2
161.09639	1.2
161.13272	5.5
163.11240	1.3
165.09131	0.7
165.12799	2.1
166.05852	0.6
171.11717	6.8
174.10426	0.7
175.03906	2.7
177.05452	1.8
179.14403	0.9
189.12752	26.6
190.13139	1.2
191.14252	2.2
207.06532	4.8
207.13809	100.0
208.14174	4.9
257.37628	0.7
369.10785	1.0
369.15234	13.2
369.19113	0.9
388.87985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01875	1.5
55.05500	1.7
57.03416	2.0
60.05777	0.7
61.02909	2.4
64.72536	0.6
67.05500	2.0
67.70218	0.6
69.03073	0.6
69.03431	10.2
69.07072	1.5
70.85615	0.8
71.04989	1.8
71.49241	0.6
73.00726	0.8
73.02910	1.4
75.69233	0.6
77.33823	0.6
79.05487	1.2
81.03436	3.7
81.07039	2.6
83.04993	4.8
85.02911	14.4
87.04462	1.2
89.03918	6.5
91.05492	4.8
93.07047	3.9
95.04948	2.1
95.08633	1.7
97.02902	7.8
97.06549	0.8
99.04440	2.8
105.07037	9.2
107.04921	1.3
107.08598	6.6
109.02892	5.4
109.06519	2.5
109.10138	2.2
111.04440	1.2
117.03384	20.3
117.07071	0.8
119.04964	4.8
119.08594	9.0
121.06486	1.7
121.10162	4.3
123.04395	0.7
123.08064	2.6
127.03926	5.4
129.06969	1.2
131.08562	3.3
133.02852	0.8
133.06485	1.8
133.10133	10.9
134.03644	1.5
135.04419	0.9
135.08047	2.2
135.11624	0.9
137.09637	5.3
143.08539	2.1
145.02856	47.3
145.04922	4.2
145.10097	3.9
146.03198	1.5
147.04431	2.5
147.08058	3.6
147.11714	5.5
149.06012	7.4
149.09622	25.1
149.13245	1.0
150.06294	0.8
151.11194	22.4
156.09355	3.2
159.08069	6.7
160.08836	1.0
161.09612	2.9
161.13264	8.6
163.03873	1.0
163.11206	9.1
171.11681	5.2
173.13243	1.3
174.10413	17.7
175.03905	4.5
175.11000	0.7
177.05479	100.0
178.05844	4.6
179.03473	1.3
179.10713	1.1
189.12752	61.7
190.13098	3.5
191.14302	17.1
192.14699	0.8
195.06505	1.0
207.06520	8.9
207.13812	37.7
208.14130	0.8
209.15387	1.4
232.43721	0.8
369.15204	24.7
369.19122	2.5
370.15234	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80234	0.5
53.03941	1.1
55.01858	1.8
55.05494	0.5
57.03434	3.3
59.04991	1.8
61.02929	4.2
67.05496	1.0
69.03429	22.6
69.14127	0.6
69.56175	1.1
69.56561	1.3
71.04989	1.5
73.02914	2.2
79.05486	1.3
81.03424	4.5
81.07058	1.2
83.04963	1.2
83.08664	0.6
85.02903	23.2
87.04461	2.5
91.03947	1.7
91.05479	6.7
93.07047	1.0
95.04969	4.5
95.08601	3.5
97.02899	8.4
99.04450	2.2
99.98203	0.5
105.07042	3.6
107.08584	2.3
109.02873	2.2
109.06519	23.1
111.08110	0.8
116.06212	0.8
117.07005	0.9
119.08590	8.0
121.06466	0.7
121.10133	2.5
123.08067	7.8
125.06036	0.6
127.03915	5.6
129.06993	2.2
130.07799	0.8
131.08565	15.8
133.06479	5.7
133.10135	1.3
135.08052	2.5
143.08563	1.7
145.04948	3.8
145.10120	2.9
147.08049	13.9
147.11699	1.8
148.08325	0.7
149.09624	2.2
151.07541	100.0
152.07896	2.6
156.09361	4.5
161.09596	2.7
163.11176	7.8
163.68094	0.5
165.12755	1.6
171.11682	6.8
189.12743	38.8
190.13106	1.5
203.14258	1.1
207.06555	1.0
207.12213	1.5
207.13797	43.7
208.14134	2.0
231.13828	1.9
242.21973	0.6
249.14932	0.9
250.83334	0.5
292.83124	0.5
331.57214	0.7
345.55185	0.5
369.15085	2.2
369.19070	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	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
55.01867	3.1
55.05523	2.4
57.03435	4.4
59.04998	3.6
61.02926	5.5
67.05504	4.9
69.03436	26.6
69.07076	4.6
71.05005	5.4
73.02920	4.5
81.03425	9.0
81.07057	8.6
83.04981	9.3
85.02909	72.7
86.10477	1.9
89.03940	3.9
91.03956	2.9
91.05494	16.7
93.07048	8.5
95.04980	7.7
95.08633	7.3
97.02892	14.7
98.23082	12.8
99.04483	6.0
105.07045	20.2
107.04992	3.6
107.08636	10.6
109.02899	7.3
109.06513	8.7
109.10159	3.6
109.34056	2.3
117.03397	12.7
117.07016	2.6
119.04943	12.6
119.08604	18.1
121.06538	7.3
121.10137	12.7
123.08068	7.3
123.11711	23.9
123.81361	1.8
127.03909	13.5
131.08597	5.3
133.06508	5.9
133.10107	14.9
135.04343	2.1
135.08086	5.4
137.09618	6.3
139.07503	1.9
141.06923	2.5
143.08572	7.1
145.02849	40.8
145.04898	10.1
145.10130	15.1
147.04436	9.1
147.08070	7.9
147.11676	14.6
149.06013	6.5
149.09621	51.8
151.07570	2.2
151.11171	22.4
156.09360	6.4
157.03928	2.8
159.08084	6.3
159.11708	2.4
161.09663	8.1
161.13298	11.1
163.11176	32.0
165.12810	3.0
171.11713	12.8
173.13252	2.9
174.10423	12.9
175.03908	15.3
177.05479	93.2
178.05841	5.4
179.03447	2.6
179.10710	7.3
189.12752	69.2
191.14310	52.2
192.14676	2.9
207.06473	25.6
207.13818	100.0
208.06723	3.7
208.14217	4.9
369.11496	2.4
369.15164	24.5
369.19290	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	369.2639
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01878	2.9
55.05519	19.5
57.07087	5.8
59.22404	1.4
67.05513	13.8
69.03445	5.2
69.07070	18.3
71.05007	2.9
71.08636	22.7
79.05490	16.1
81.07063	25.5
83.04993	2.9
83.08633	4.3
85.06570	2.9
91.05493	10.8
93.07053	19.7
95.04985	10.4
95.08604	20.4
97.06538	7.1
97.10156	5.0
98.75637	1.5
99.08098	15.0
99.38748	1.6
105.07040	15.8
107.08608	16.6
109.06525	28.9
109.10194	9.2
111.08146	2.1
111.70719	1.6
112.22641	1.7
117.07019	3.0
119.08592	14.8
121.06509	15.9
121.10166	7.7
123.08102	5.6
123.11722	4.7
131.08592	9.9
133.10162	7.0
135.08078	7.6
135.11711	5.5
137.09631	4.2
139.11218	4.3
143.08585	2.1
145.10074	7.7
147.11696	3.6
149.09607	2.1
149.13304	4.4
151.14900	2.0
159.11723	4.7
161.13350	3.6
163.11194	8.2
163.14923	3.8
165.12769	55.1
172.80602	1.8
173.13240	4.8
175.11252	2.0
177.12726	11.9
179.14302	4.9
181.15881	9.6
187.14824	3.1
191.14371	6.3
205.16031	2.3
233.15369	1.7
243.21178	1.9
251.16359	3.1
251.23708	2.4
261.22144	24.3
271.20609	3.7
279.23233	5.1
289.21640	82.2
290.22137	7.8
307.22699	23.0
323.25833	2.2
333.24261	49.0
334.24661	3.7
341.20746	4.0
351.25342	100.0
352.25812	9.1
369.20129	37.3
370.20331	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	371.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99788	0.4
56.96569	27.6
67.58688	0.4
68.96548	0.7
69.55507	1.5
71.95261	0.5
74.97607	0.6
82.39671	0.4
84.01823	0.4
84.96042	9.2
85.02907	0.6
92.02580	0.4
97.02890	1.2
98.97590	100.0
99.97936	0.6
101.00883	2.7
102.97058	0.7
110.97580	47.2
112.99142	5.9
113.00862	0.6
116.98631	27.1
119.01929	4.0
124.99139	3.5
126.97046	1.3
128.98619	32.8
129.98967	0.5
130.93260	0.6
131.00186	4.0
131.01822	0.9
134.99644	3.9
139.04674	0.4
140.00223	0.5
140.98619	3.9
143.00185	8.9
143.01897	2.4
144.98117	2.0
145.03476	1.2
146.99667	9.0
149.01228	0.8
152.98608	11.4
153.00653	0.5
155.00072	0.5
155.01888	1.2
157.03461	0.9
158.99678	7.3
160.01283	0.4
161.01241	5.4
161.02957	4.9
162.99171	1.1
163.54060	0.5
165.00726	0.5
167.00140	0.6
170.99660	13.1
172.94365	0.8
173.02930	1.5
174.99171	0.6
175.39569	0.4
177.00713	4.3
179.00122	0.5
179.02176	0.6
182.99681	0.8
185.01370	0.8
185.03009	2.5
189.00720	7.0
190.95439	1.0
194.99655	1.7
195.01581	0.4
197.01344	0.5
197.02982	2.4
201.00694	8.6
203.04074	1.0
207.01520	1.4
209.01146	1.2
209.03055	0.8
213.00772	1.9
215.02400	0.4
219.01782	76.0
220.02090	1.9
225.02434	1.0
227.02252	3.4
227.04132	0.8
232.96315	0.5
233.03271	0.5
237.02827	91.3
238.03148	3.1
239.02290	1.6
242.03546	0.6
245.05258	2.8
250.97630	0.6
251.04216	0.6
255.03850	4.7
257.03296	1.5
260.04236	0.6
261.02710	1.0
263.02231	4.3
269.03357	0.9
279.03912	1.0
281.03366	2.6
282.93887	0.4
311.04276	2.4
327.75339	0.5
329.05423	27.9
330.05795	2.2
347.06531	13.2
348.06689	1.6
348.92078	0.4
360.03690	0.4
371.06467	57.8
372.06824	4.2
389.07675	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	26.0
70.19302	0.9
74.97613	0.7
84.96027	9.2
97.96841	0.9
98.97576	100.0
101.00856	0.6
102.97093	0.6
110.97564	48.6
111.97943	0.8
112.99125	6.9
116.98612	25.6
119.01896	1.0
124.99087	3.7
126.97043	1.1
128.98596	31.4
131.00182	3.7
134.99654	4.0
140.00238	0.5
140.98570	4.1
143.00157	9.8
144.98096	2.3
146.99634	8.5
149.01195	1.6
152.98570	12.2
155.00253	0.6
158.99646	8.0
159.99937	0.4
161.00026	0.7
161.01227	5.5
161.02908	1.7
162.99152	1.0
170.99644	14.3
174.99184	0.5
177.00729	4.0
179.02257	0.8
185.01247	1.3
185.02835	0.6
189.00713	5.5
194.99646	1.6
201.00665	9.4
203.02205	0.6
203.03984	0.5
209.01195	1.4
213.00703	1.6
219.01752	79.3
220.02113	1.9
227.02220	3.0
233.09065	0.5
237.02798	99.8
238.03223	2.6
239.02228	2.0
242.03404	0.7
245.01250	0.9
245.05264	1.0
251.02238	0.9
255.03836	4.2
257.03244	1.1
261.02698	1.2
263.02243	5.2
269.03171	1.2
278.12820	0.5
278.15799	0.5
279.03842	0.9
281.03244	3.0
311.04349	3.0
329.05399	30.6
330.05734	1.4
347.06458	12.1
348.06775	0.5
371.06442	63.1
372.06830	4.8
389.07504	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	371.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50889	0.9
70.51217	0.7
79.05511	1.9
85.02946	0.9
89.03936	3.9
90.52988	0.4
95.01348	1.5
105.07039	0.8
107.04979	2.7
111.04475	0.8
117.03378	6.0
119.13748	0.5
121.02884	0.6
123.04428	1.5
131.04962	0.7
135.04437	15.5
135.05475	1.1
137.02367	1.1
138.03120	2.1
139.03891	3.2
141.01941	0.7
145.02866	11.0
146.03139	0.8
147.04405	4.8
149.02356	2.6
149.06068	1.1
151.07541	0.5
153.05484	83.4
154.05855	2.7
159.04370	1.4
161.06006	0.9
163.03922	100.0
164.04289	3.3
175.03944	1.8
177.01854	2.6
177.03964	1.6
177.05325	2.6
178.05841	0.9
179.05978	0.5
181.04921	2.6
182.92377	0.6
187.03981	2.3
189.05461	1.9
191.03432	1.5
195.06548	22.1
195.08354	1.1
201.05464	0.8
203.03413	36.1
204.03743	1.3
205.04924	4.2
213.05507	0.9
215.03415	6.4
221.04387	1.4
229.04985	1.1
231.02924	4.3
231.06512	0.6
233.04497	3.7
243.03065	0.5
261.03931	5.0
275.05487	1.9
279.05054	9.9
291.05017	7.2
293.06503	0.6
303.04947	1.6
321.06158	2.3
322.06262	0.6
339.07172	10.5
340.07446	0.8
371.12766	0.7
371.16833	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	371.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.41478	0.4
54.69639	0.5
55.01859	1.0
55.05498	1.6
56.76714	0.4
57.03432	0.8
57.13803	0.4
65.33788	0.4
67.05492	2.1
69.03435	4.7
69.07063	2.2
69.83371	0.6
69.83696	1.1
71.04994	1.8
77.61644	0.5
79.05508	2.9
81.03420	3.0
81.07056	9.0
83.04996	1.0
85.02909	1.5
85.06565	0.8
91.05478	2.1
93.07043	9.7
95.04964	1.5
95.08603	1.5
97.02884	1.9
97.06525	1.9
98.22776	0.6
99.04464	3.2
101.05966	0.8
101.52288	0.4
105.07024	5.2
107.08590	8.7
109.02867	1.3
109.06516	2.7
109.10168	0.7
111.08073	2.5
117.06992	1.2
118.02205	0.4
119.08564	2.9
121.06521	3.2
121.10146	7.8
123.08065	1.0
127.03915	3.5
127.07545	0.8
129.05525	0.8
131.04893	0.5
131.08594	0.5
131.40155	0.4
135.08063	1.0
135.11679	2.9
145.04936	0.8
145.10132	6.7
147.08070	0.7
147.11679	2.0
149.06068	0.5
149.09622	4.3
163.09773	0.8
163.11174	16.1
164.11526	0.5
165.12701	0.4
167.10669	11.2
168.10864	0.5
169.08589	3.6
173.09627	1.3
175.07584	0.5
177.05440	0.4
180.02094	0.4
181.12271	3.7
185.11668	0.6
191.10666	11.7
191.14452	0.6
192.11041	0.6
201.68820	0.4
203.05313	0.8
209.07860	1.6
209.11633	7.0
209.15472	0.5
227.09088	0.6
227.12764	4.9
271.32385	0.4
277.12842	0.5
324.85345	0.5
353.15836	1.0
371.16788	100.0
372.17056	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	371.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.41478	0.4
54.69639	0.5
55.01859	1.0
55.05498	1.6
56.76714	0.4
57.03432	0.8
57.13803	0.4
65.33788	0.4
67.05492	2.1
69.03435	4.7
69.07063	2.2
69.83371	0.6
69.83696	1.1
71.04994	1.8
77.61644	0.5
79.05508	2.9
81.03420	3.0
81.07056	9.0
83.04996	1.0
85.02909	1.5
85.06565	0.8
91.05478	2.1
93.07043	9.7
95.04964	1.5
95.08603	1.5
97.02884	1.9
97.06525	1.9
98.22776	0.6
99.04464	3.2
101.05966	0.8
101.52288	0.4
105.07024	5.2
107.08590	8.7
109.02867	1.3
109.06516	2.7
109.10168	0.7
111.08073	2.5
117.06992	1.2
118.02205	0.4
119.08564	2.9
121.06521	3.2
121.10146	7.8
123.08065	1.0
127.03915	3.5
127.07545	0.8
129.05525	0.8
131.04893	0.5
131.08594	0.5
131.40155	0.4
135.08063	1.0
135.11679	2.9
145.04936	0.8
145.10132	6.7
147.08070	0.7
147.11679	2.0
149.06068	0.5
149.09622	4.3
163.09773	0.8
163.11174	16.1
164.11526	0.5
165.12701	0.4
167.10669	11.2
168.10864	0.5
169.08589	3.6
173.09627	1.3
175.07584	0.5
177.05440	0.4
180.02094	0.4
181.12271	3.7
185.11668	0.6
191.10666	11.7
191.14452	0.6
192.11041	0.6
201.68820	0.4
203.05313	0.8
209.07860	1.6
209.11633	7.0
209.15472	0.5
227.09088	0.6
227.12764	4.9
271.32385	0.4
277.12842	0.5
324.85345	0.5
353.15836	1.0
371.16788	100.0
372.17056	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	371.1683
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.94918	0.3
55.05516	0.6
64.96981	0.3
65.19881	0.2
67.05505	0.6
69.03432	1.0
69.07069	0.5
69.96203	0.7
71.04993	0.6
79.05505	0.6
81.03416	1.1
81.07068	1.1
83.04995	0.5
85.02913	1.1
85.06553	0.3
91.05490	1.0
93.07056	1.8
95.04985	0.5
95.08618	2.0
97.02910	0.6
97.06537	0.8
98.22990	0.7
99.04454	0.6
105.07056	1.4
107.08601	1.8
109.06532	0.7
109.10165	0.5
111.04401	0.3
119.08553	0.7
121.10155	1.5
123.08055	0.4
127.03912	0.9
129.05508	0.4
131.08577	0.6
133.10147	6.7
135.07986	0.4
135.11746	0.4
145.10149	0.6
147.11736	0.3
149.09689	0.6
151.11212	0.9
151.63853	0.3
158.11024	0.4
163.11221	0.9
163.14848	0.5
167.10712	0.5
169.08649	0.5
173.13261	2.3
181.12285	0.4
190.20882	0.3
191.10690	0.9
191.14328	3.2
203.05469	0.3
209.11642	1.1
209.15457	0.5
227.12820	0.7
241.09717	0.4
256.12106	0.3
269.82434	0.3
272.11606	0.9
283.10806	0.4
371.16809	100.0
372.12555	0.6
372.17117	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	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01868	5.8
55.05508	6.4
57.03438	4.5
57.07074	1.2
59.05014	1.4
59.30270	0.9
65.03951	1.0
67.05505	8.1
69.03433	28.8
69.07068	22.1
69.25909	2.3
69.26315	3.2
71.01334	1.4
71.04996	16.6
73.02891	1.2
74.92377	0.8
77.03949	1.6
79.05491	16.7
81.03417	100.0
81.07055	24.9
82.03741	1.9
83.04981	4.3
83.08619	1.2
84.58911	0.8
85.02908	11.6
85.06559	4.4
91.05468	13.6
93.07047	58.9
93.54705	1.0
94.07388	1.7
95.04956	5.3
95.08601	9.7
97.02895	4.8
97.06525	11.7
98.22684	1.9
99.04456	17.1
103.05466	1.1
105.07032	24.9
107.04955	1.5
107.08596	38.6
109.02883	39.9
109.06515	13.6
109.10159	5.9
111.08080	10.4
111.11700	1.8
113.06001	2.2
115.07601	1.1
117.07024	3.8
119.08604	11.1
121.06507	22.5
121.10143	43.0
123.08074	6.8
125.06036	1.6
127.03918	44.9
127.07586	2.5
129.07024	1.3
131.08556	6.8
132.65015	0.9
133.10124	8.5
135.08066	13.9
135.11681	11.2
137.09645	1.6
139.07524	1.6
139.11182	4.1
143.08589	1.5
145.04984	1.3
145.10129	21.9
147.11693	25.8
148.12033	1.4
149.05977	1.4
149.09608	23.3
149.13228	6.1
150.09944	1.2
151.07567	2.3
151.11215	1.0
153.09145	2.4
158.11008	0.9
161.09634	4.0
163.11176	47.8
163.14850	1.6
164.11490	2.3
165.34961	0.9
167.10677	28.4
169.08582	13.5
173.09599	4.3
173.13272	10.1
176.12042	1.0
181.12224	13.6
182.66782	1.1
185.11774	3.9
187.05959	1.9
191.10670	37.5
191.14307	77.7
192.11133	1.7
192.14685	4.2
201.07655	1.1
209.11774	16.7
209.15356	32.6
210.15677	1.1
227.09258	1.0
227.12784	18.3
253.10837	2.3
309.16913	2.2
311.14935	4.8
313.12915	1.3
322.57056	0.9
335.14758	1.1
353.15939	10.7
371.16907	22.3
372.17395	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	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.2
55.01870	6.3
55.05511	8.3
57.03442	6.0
57.07060	1.4
59.04961	0.9
61.02918	1.6
65.03890	0.8
66.92780	0.6
67.05157	1.0
67.05500	11.5
69.03432	26.3
69.06711	0.8
69.07064	14.7
69.37943	2.9
71.01344	1.1
71.04635	0.9
71.04989	9.5
77.03905	0.8
79.05042	1.2
79.05492	20.9
81.02971	1.3
81.03416	19.1
81.03889	1.1
81.07053	41.9
83.04980	5.2
84.99567	0.7
85.02902	11.1
85.06542	6.6
91.05476	13.5
93.07040	65.8
94.07359	0.8
95.04429	0.7
95.04980	8.7
95.08087	0.9
95.08611	8.8
97.02894	13.2
97.06532	13.5
99.04455	26.7
101.05987	2.9
104.78073	0.8
105.04555	0.9
105.07027	40.1
106.07348	1.1
107.04953	1.4
107.08591	49.7
108.08919	2.6
109.02879	9.3
109.06522	15.7
109.10130	2.2
111.04407	1.6
111.08075	12.3
111.11694	1.4
113.06024	4.0
115.07522	0.7
117.06982	5.0
119.08579	13.9
121.06511	19.6
121.10142	64.6
122.10440	2.5
123.08096	3.9
123.11660	0.7
125.05943	1.4
125.09649	1.3
127.03912	20.3
127.07551	5.6
127.59116	0.7
129.05479	1.5
129.07022	1.1
130.07780	2.3
131.08572	5.9
133.06453	1.2
133.10147	4.6
135.04391	4.7
135.08072	9.1
135.11687	17.6
136.04721	2.7
137.09595	3.3
139.07574	3.8
139.11169	5.6
143.08575	1.3
145.04950	2.2
145.10117	37.4
146.10443	2.2
147.06448	0.9
147.08018	1.1
147.11691	7.6
149.05963	2.6
149.09618	29.9
151.07515	2.8
151.11165	1.5
153.09048	0.8
157.15730	0.8
158.07214	1.4
161.09602	2.0
163.11179	100.0
164.11519	5.3
167.10678	49.7
168.10991	2.3
169.08604	18.4
173.09622	9.5
173.13245	1.8
181.12221	28.7
182.12595	1.5
185.11713	7.7
187.06039	3.9
191.10661	76.2
192.10976	3.6
208.13257	4.2
209.11758	29.0
209.13651	5.0
209.15396	2.6
227.08669	3.5
227.12767	44.7
228.13171	2.0
258.44998	0.9
311.15033	1.5
313.12918	1.5
336.36850	0.8
353.15982	6.1
371.12149	1.6
371.16858	30.0
372.17294	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	371.2071
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05512	10.8
57.07072	4.5
62.41988	3.6
62.90394	4.2
63.68406	3.8
63.93200	3.6
66.64144	3.8
67.05508	16.3
68.69619	4.0
69.03444	7.9
69.07091	7.0
69.23631	20.8
71.04999	5.3
74.88194	4.0
79.05503	9.1
81.07075	13.7
83.05036	5.2
85.02934	9.6
85.06547	10.2
89.80083	3.9
91.05455	6.9
93.07062	10.8
93.78470	4.3
95.04998	5.2
95.08647	10.4
97.78432	3.8
98.97615	4.5
99.04407	5.4
101.06020	9.3
105.07060	10.9
107.08598	24.1
109.06525	32.4
109.10165	100.0
110.10491	4.3
119.08587	5.0
121.10149	19.6
123.11752	6.0
125.09657	19.2
129.05525	7.6
131.08607	4.8
133.10159	15.0
135.08087	17.3
145.10170	5.9
147.06490	5.1
147.11702	10.0
149.09618	8.4
149.13251	17.7
153.09119	38.5
158.11084	5.1
163.14819	10.4
173.13290	14.8
191.14333	36.4
209.15363	43.1
289.45993	4.5
371.20547	28.0
372.27206	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.9
63.47704	1.9
64.65617	1.9
67.05507	5.6
69.03433	10.5
69.07067	4.1
69.20804	12.3
71.04993	4.7
76.35812	2.2
79.05489	4.0
81.03398	3.9
81.07066	11.9
85.02902	14.3
91.05499	9.3
93.07053	10.7
95.04967	4.1
95.08598	5.5
97.02893	4.6
98.23417	4.7
105.06980	10.7
107.04939	3.0
107.08601	25.0
109.02940	2.3
109.06532	41.8
109.10147	11.9
115.05453	2.8
117.07045	3.2
119.08579	6.4
121.06530	2.6
121.10133	10.6
122.07258	3.0
123.08070	5.6
124.83212	1.8
127.03928	2.2
129.05473	2.4
131.08560	7.2
133.10139	100.0
134.10457	3.1
134.82896	2.0
135.08064	24.9
135.11703	2.7
137.09625	44.4
145.10170	3.8
147.11691	10.5
149.09627	4.8
149.13257	14.0
151.11168	3.4
163.11160	2.9
163.14830	4.1
165.12807	4.8
173.13257	11.5
176.12048	2.5
191.10583	4.7
191.14330	80.5
192.14680	4.5
203.05304	6.4
209.11490	4.6
209.15363	64.7
210.15778	2.6
224.38045	2.2
360.31085	2.3
371.12741	7.6
371.16809	86.4
372.17126	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.75998	0.8
53.03942	9.8
53.33147	0.8
55.01876	5.1
55.05508	7.3
57.03437	5.2
57.07066	1.4
67.05178	1.3
67.05496	7.4
69.03069	1.6
69.03432	29.1
69.06715	1.3
69.07070	22.6
70.03755	1.2
71.04996	17.8
73.02934	1.3
77.03941	2.4
79.05493	17.4
81.03419	100.0
81.07059	23.5
82.03748	3.0
83.04967	5.3
83.08601	1.2
85.02910	9.9
85.06532	5.0
91.05476	13.0
93.07043	58.9
94.07404	1.3
95.04964	6.7
95.08614	10.2
97.02897	5.7
97.06542	10.7
98.23410	3.0
99.04459	18.4
100.04808	1.0
101.06017	1.7
103.02446	0.9
105.06347	1.7
105.07027	23.8
107.04942	1.1
107.08596	41.4
109.02878	45.2
109.06512	12.9
109.10166	5.7
110.03244	1.4
111.04425	2.1
111.08088	11.2
113.05973	2.1
116.23576	0.9
117.07012	4.3
119.05974	0.9
119.08592	10.2
121.06510	23.4
121.07278	0.8
121.10138	45.3
122.10477	1.7
123.08068	6.1
123.11741	1.0
123.69261	1.0
125.44299	0.9
127.03917	51.3
127.07556	3.7
127.11123	1.2
130.07816	1.4
131.08585	6.9
133.10141	7.8
135.08060	15.5
135.11676	12.1
137.09627	2.2
139.07526	1.1
139.11221	5.4
145.04984	1.9
145.08986	1.2
145.10115	23.2
146.10458	1.7
147.11682	26.5
148.11996	1.2
149.09622	25.6
149.13278	6.8
150.09929	1.3
151.07573	1.7
158.10857	2.1
161.09598	3.9
163.11177	53.3
163.14825	2.0
164.11490	3.3
167.10680	28.7
168.11012	1.3
169.04924	1.4
169.08615	14.4
173.09645	3.6
173.13258	10.1
176.12001	1.2
178.66302	1.0
181.12250	18.4
185.11745	4.5
187.06046	1.4
191.10672	43.2
191.14302	79.9
192.11050	2.7
192.14633	4.4
201.07576	1.0
207.10095	1.0
208.01735	1.0
209.11739	20.1
209.15350	27.7
210.15703	1.9
227.12746	20.6
253.10699	2.2
293.13690	1.2
309.17032	4.6
311.14886	5.4
317.13922	1.2
335.14777	2.7
347.85925	0.9
350.07980	1.0
353.15945	15.1
371.16928	24.8
371.21155	2.0
372.17209	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05500	1.8
62.19088	1.4
67.05489	2.6
69.03429	4.4
69.07086	3.7
70.71223	1.8
79.05490	6.2
81.03403	4.0
81.07063	8.3
83.08639	2.5
85.02909	5.1
91.05473	5.8
93.07037	4.6
95.08618	4.4
97.06558	1.8
105.07024	6.3
107.08585	23.1
109.06499	7.0
109.10155	5.6
117.07018	2.1
119.08571	3.8
120.76694	1.4
121.06487	1.6
121.10122	11.1
122.07255	2.4
123.08109	2.6
131.08582	2.6
133.10124	100.0
134.10461	4.2
134.99232	1.7
135.08044	12.0
135.11678	4.4
137.09608	53.7
138.09955	2.2
145.04935	1.4
147.11691	3.1
149.09695	1.6
149.13248	11.3
163.14824	3.4
173.13286	5.5
183.96408	1.3
191.10793	1.8
191.14296	39.6
192.14664	2.9
193.08965	1.4
194.45551	1.7
201.35712	1.4
209.15337	9.4
227.91528	1.5
244.51602	1.6
316.37576	1.5
321.98395	1.4
349.48889	1.4
359.81241	1.7
371.16846	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01863	2.6
55.05497	1.7
57.03431	1.1
57.13387	0.6
57.91663	0.6
61.02916	1.9
66.51702	0.6
67.05513	1.4
68.61687	0.5
69.03421	4.8
69.06713	0.8
69.07067	14.0
69.62037	0.6
69.67716	2.2
71.04975	2.0
72.13642	0.5
73.02895	0.7
79.05481	2.0
81.03414	2.0
81.07043	1.6
83.04965	1.7
83.08602	0.9
85.02907	8.0
87.04463	0.7
91.05468	4.5
93.07045	13.2
95.04949	1.0
95.08603	2.5
97.02891	3.2
97.06528	1.6
98.22726	0.7
99.04453	1.2
105.07017	4.5
107.08591	13.5
109.02847	1.4
109.06539	1.1
109.10123	1.3
111.08098	0.7
117.07047	1.5
118.44878	0.5
119.08568	3.5
121.06512	15.1
121.10149	9.3
123.08051	1.7
127.03899	1.3
131.08583	4.2
133.10121	6.6
135.08046	6.6
135.11690	4.1
137.09685	0.7
143.08511	1.0
145.04924	0.9
145.10115	2.5
147.11681	29.3
148.12045	1.2
148.72270	0.5
149.09627	4.8
149.13252	5.5
151.11235	0.6
158.10893	1.4
161.09634	4.3
163.11206	3.6
163.14781	1.9
173.13264	8.3
175.17586	0.6
176.11961	1.2
191.14305	100.0
192.14661	4.9
203.05269	9.6
209.11641	0.8
209.15324	1.7
243.87320	0.5
371.16714	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.01873	2.5
55.05508	1.7
57.03443	1.1
57.07087	1.0
61.02943	1.2
67.05494	1.4
69.03443	4.5
69.06709	1.1
69.07073	15.0
69.33765	2.1
71.04996	2.7
79.05487	1.5
80.87697	0.5
81.03404	1.6
81.07063	1.6
83.04996	1.4
83.08615	0.8
85.02911	6.4
91.05481	4.1
93.07055	12.0
95.04973	1.6
95.08591	4.0
97.02887	2.3
97.06520	2.4
98.22781	1.2
98.23431	1.0
99.04431	0.7
99.08102	0.5
101.05997	0.5
105.07036	4.0
107.08604	11.1
109.02863	0.9
109.06543	2.5
109.10165	2.3
111.04475	0.8
111.08084	0.7
117.07027	1.3
117.91541	0.5
119.08575	3.1
121.06520	13.6
121.10157	8.1
122.06828	0.6
123.08057	2.4
123.11668	0.5
127.03891	1.4
127.11146	0.8
129.05481	0.6
131.08556	3.8
133.10139	8.8
135.08070	7.7
135.11688	3.7
137.09608	1.8
139.11198	1.0
145.04913	0.9
145.10132	2.4
147.11697	29.4
148.12045	1.4
149.09616	4.8
149.13263	7.9
151.11206	1.0
158.10829	1.1
161.09618	3.7
163.11192	0.9
163.14836	1.6
173.13283	8.3
175.11276	0.7
176.11958	1.5
191.14320	100.0
192.14709	5.3
197.70441	0.5
209.15390	16.6
210.15678	1.3
226.67480	0.6
310.80441	0.6
313.98224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.129
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80028	0.5
62.95733	0.4
69.44171	2.4
69.44447	0.5
79.05489	1.0
83.04990	0.5
89.03926	4.2
98.11892	0.5
100.11238	0.7
107.04961	1.3
111.04449	0.8
117.03384	5.7
135.04407	13.7
145.02849	10.2
163.03900	100.0
163.83624	0.5
164.04219	3.4
179.03416	0.6
181.03760	0.6
182.15408	1.0
193.07071	0.6
210.14842	1.0
211.15215	0.9
224.85445	0.5
302.50143	0.5
349.86627	0.5
355.24222	1.0
373.14087	0.7
373.18359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35041	0.3
50.41784	0.3
53.03923	0.3
65.03947	4.9
66.89182	0.3
67.05511	2.3
69.03434	0.7
69.37234	0.6
69.37644	0.9
81.03416	0.5
82.04185	1.4
83.04978	1.4
85.02910	5.1
93.03413	2.1
95.04973	2.4
97.02885	1.2
97.06536	1.3
103.03941	1.4
105.04512	0.3
108.02086	0.9
109.02858	0.5
110.03680	2.5
111.04472	1.6
123.00811	0.4
123.04453	3.1
125.02360	0.7
125.05976	1.0
127.03951	0.4
129.05501	0.5
135.04440	0.7
136.04770	0.6
138.03145	1.4
139.03920	0.9
140.04701	6.5
142.02596	0.4
153.05472	4.8
154.05829	0.4
155.07039	1.2
157.05026	0.4
163.03952	2.1
164.04274	1.6
165.05498	3.5
167.03403	2.7
171.06557	4.2
177.05530	0.9
181.04964	100.0
182.05309	4.1
195.06528	0.8
195.61986	0.4
199.06010	1.0
228.52080	0.3
373.14548	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	373.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
57.03424	0.6
59.04974	0.5
69.03420	0.9
69.39761	2.2
70.29349	0.5
73.06577	0.4
73.43188	0.4
81.03426	0.5
85.02885	1.6
97.02874	1.6
101.06024	2.4
103.03949	0.6
108.04516	0.6
117.46601	0.4
120.08075	0.5
127.03918	0.5
145.05000	0.7
153.05269	2.5
162.05489	0.8
163.04021	0.5
167.03391	1.2
168.45940	0.5
177.05487	0.9
177.09087	1.6
185.04259	1.0
193.08348	2.5
203.05200	2.4
211.09433	12.8
212.09796	0.6
301.12589	5.5
315.14087	0.5
344.50095	0.5
373.14584	100.0
373.18524	16.6
374.14844	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	373.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01869	2.2
55.05513	7.2
57.03445	3.8
57.07082	2.8
59.04993	3.0
61.02935	2.1
67.05525	7.4
67.51170	1.4
69.03439	8.2
69.07072	17.4
71.04996	9.9
71.24113	1.7
73.02924	2.0
79.05498	6.8
81.03408	3.7
81.07069	18.7
83.05008	1.9
83.08614	9.6
85.02917	37.1
85.03416	2.3
85.06553	3.6
89.03217	1.2
89.03864	1.5
91.05488	5.0
93.07059	19.2
95.04980	5.3
95.08611	24.6
97.02911	7.8
97.06540	27.8
97.10189	1.8
99.04448	3.0
99.08138	2.1
104.05003	2.5
105.07037	10.4
107.04974	1.2
107.08612	22.6
109.02888	3.8
109.06524	17.9
109.10162	14.6
111.08087	3.8
111.11764	2.9
115.07562	7.5
117.46207	1.3
119.08603	23.2
121.10152	11.8
123.08085	14.0
123.11700	17.1
125.09691	1.9
127.03929	7.5
127.07633	1.4
132.04544	1.6
133.10139	49.8
135.08057	2.4
135.11700	39.7
136.03967	1.7
137.06015	2.2
137.09607	9.1
137.13234	2.2
139.11205	2.6
145.02864	1.7
145.04922	7.7
145.10156	2.2
147.11743	4.1
149.13274	25.9
149.14438	1.9
153.12767	4.3
154.05002	2.1
154.08643	2.3
155.10678	2.8
165.16402	2.6
167.14444	1.4
175.14835	64.0
176.15172	2.6
177.05547	2.7
177.16377	1.5
181.15916	4.8
188.03404	1.9
191.14258	1.2
192.14948	1.3
193.15906	85.3
194.04515	1.6
194.16263	3.9
201.05521	2.2
206.04504	37.4
207.04927	1.4
208.06078	1.4
209.13521	1.3
210.14844	1.5
211.16953	100.0
212.17308	4.7
218.37910	1.2
220.06078	18.2
236.23569	1.3
282.22720	1.3
345.14566	2.2
359.12329	1.6
373.13956	16.3
373.18353	3.3
373.22290	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	373.2223
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.01467	2.0
55.05507	5.9
57.03431	3.1
61.02936	2.6
67.05515	8.5
69.03427	6.9
69.07066	5.4
70.59521	3.4
71.04989	4.4
79.05486	3.4
81.07059	9.3
83.04975	4.2
83.08608	5.5
85.02903	20.3
85.06547	6.3
91.05482	3.4
93.07080	8.9
93.07555	1.7
93.45966	1.6
95.08614	18.8
96.26367	1.7
96.48895	1.6
97.02896	5.0
97.06525	2.9
97.10152	2.3
98.22754	2.2
99.08060	2.8
105.07030	8.4
107.08591	13.7
109.06503	5.0
109.10164	32.3
111.08055	10.7
119.08572	20.6
121.10151	9.1
123.08059	11.0
123.11702	5.7
125.01567	1.9
125.09610	2.8
127.03944	2.1
133.10114	13.4
135.08102	2.6
135.11705	17.3
137.09612	32.7
145.05019	2.2
147.11696	3.0
149.13225	3.4
151.11098	2.1
151.14830	2.7
155.10657	2.3
163.14890	2.3
165.12735	4.7
175.14832	25.7
191.14392	2.7
193.15915	26.9
194.16254	2.7
211.16936	100.0
212.17195	3.4
325.20132	2.4
373.16403	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
54.44851	0.2
55.01867	0.5
57.03419	0.8
61.02921	0.6
67.05525	0.3
69.03435	1.7
69.18435	1.4
71.04960	0.3
73.02919	0.5
74.27731	0.2
81.03420	0.8
85.02902	7.1
91.03935	0.5
94.04178	0.7
97.02892	1.8
99.04441	0.4
107.04946	0.3
109.02881	0.7
122.03659	1.9
127.03882	1.4
137.05977	100.0
137.97523	0.3
138.06334	3.4
145.04959	1.7
146.00497	0.2
153.05463	0.3
161.06039	0.3
167.07037	0.9
177.05515	0.7
177.09155	0.3
180.08623	1.0
191.06972	0.4
195.10156	6.2
195.11954	0.3
195.13774	0.3
201.73164	0.3
212.12790	0.6
374.18311	1.1
375.19791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05511	1.6
56.05038	2.3
57.07082	5.5
58.06602	1.5
58.70980	0.4
67.05513	3.8
69.07072	14.6
70.06599	5.5
70.07404	0.6
71.08633	6.6
72.08971	0.5
74.06091	2.5
79.05497	1.8
81.07066	4.5
82.07372	0.5
83.08602	1.2
84.08148	39.2
85.06564	0.8
85.08492	0.5
85.10211	0.8
86.09711	100.0
87.10047	1.8
88.07633	13.1
88.89128	0.4
91.05506	1.3
93.07049	4.0
93.31006	0.4
95.04969	6.0
95.08603	4.6
96.08932	0.6
97.06540	1.3
99.08109	1.5
102.09180	4.9
105.07020	2.2
107.08597	2.8
109.06528	6.2
109.10157	1.8
111.11763	0.6
112.07610	14.5
113.07955	0.5
118.08643	1.0
119.08596	1.5
121.06533	1.5
121.10168	1.4
123.08067	0.8
126.91225	0.4
130.03947	0.4
131.08586	1.6
132.10205	0.7
133.10136	1.8
135.08049	0.6
140.10716	0.7
141.12772	0.6
147.11664	0.6
148.02698	0.4
149.09715	0.7
154.12285	5.0
163.11156	0.7
165.12761	29.9
166.13083	1.2
168.13913	1.5
169.10005	0.4
173.13295	1.9
175.11270	0.5
177.12706	0.7
182.15486	0.5
191.14323	2.4
193.37451	0.4
194.15428	0.5
196.17012	0.9
201.12794	0.9
222.18542	3.9
224.16452	0.5
229.19537	0.7
252.19626	3.4
260.20169	2.6
268.30215	0.6
271.20679	1.6
276.23224	12.1
277.23746	0.8
289.21643	1.9
291.23077	0.6
312.32578	10.9
313.32867	0.8
326.34149	4.6
327.34500	0.7
356.29221	4.6
356.35284	1.5
374.30640	38.6
374.36334	50.5
375.31210	4.0
375.35992	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	375.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57106	1.7
119.01916	3.6
125.43764	1.6
131.01793	1.7
137.06009	2.6
140.83273	2.1
145.03485	2.7
148.04732	2.6
154.84935	1.6
161.02922	2.3
213.06136	5.5
221.05038	7.0
245.05098	3.5
247.06631	10.4
248.93330	2.0
333.10345	4.8
333.25610	2.2
356.36313	2.1
375.06824	100.0
375.10831	7.0
376.07233	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	375.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35476	0.9
56.96566	1.0
60.25601	1.2
60.72898	0.8
61.45818	1.2
61.46149	1.0
67.05500	2.0
68.11949	0.9
68.98294	1.1
69.03408	1.4
70.52735	2.4
80.04689	1.0
82.99856	2.4
86.99357	1.4
92.08714	1.0
95.04960	8.3
97.02861	1.3
98.97612	1.1
101.00874	17.0
103.02455	2.8
109.02876	1.3
113.00866	7.7
115.02431	2.8
119.01910	24.3
120.02023	2.2
127.02406	7.6
129.03993	2.1
131.01903	19.6
133.03494	2.7
135.01344	0.9
137.02950	3.0
137.05978	0.9
139.02353	2.2
141.04022	1.4
143.01881	12.7
143.02954	1.1
145.03455	22.4
146.03499	1.6
153.03966	1.5
155.01895	19.8
156.02721	1.8
157.03453	10.6
159.05098	1.2
161.02962	19.2
163.04515	1.7
167.01967	1.6
169.03482	3.6
171.05049	5.0
173.02966	15.0
175.04591	2.5
176.14429	1.0
181.03410	4.0
183.05042	2.1
185.02914	10.7
185.06538	1.3
186.03003	1.0
187.04520	4.5
189.05893	1.1
195.05060	9.4
197.02930	7.0
199.04553	2.3
203.03986	26.8
203.42084	1.1
204.04091	1.4
205.03545	1.5
213.06070	51.6
214.06161	3.4
221.05058	60.1
222.05240	4.5
223.04616	1.8
225.06155	4.6
229.05574	25.8
230.05582	1.6
231.07176	4.4
243.06938	1.6
244.06824	1.0
245.05058	51.0
246.05322	3.3
247.06633	100.0
248.06781	8.5
250.32735	1.1
255.07115	23.5
256.07312	2.3
263.06097	12.0
264.05945	1.2
273.08170	15.2
315.09207	5.5
333.10291	72.2
334.10489	6.0
345.55847	1.0
356.11874	1.1
375.06482	1.9
375.11325	29.6
376.11227	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	375.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.38425	1.3
65.03947	6.7
67.05526	3.3
69.07075	2.5
69.48876	3.9
69.49278	2.7
79.05500	1.9
81.07072	4.9
85.02927	2.0
85.06509	1.7
91.05480	2.6
92.05001	3.9
93.07072	4.2
94.06577	2.9
95.04981	1.5
95.08627	2.9
96.08170	2.5
97.10145	1.8
105.07032	2.5
107.08614	2.7
108.08125	8.6
109.10137	1.8
110.09702	5.0
116.04945	1.9
120.04453	7.9
120.08118	5.4
121.10178	2.5
122.06022	2.5
123.11700	1.9
131.24756	1.4
136.07585	2.3
137.09732	1.8
138.09149	4.2
144.04472	5.3
146.06055	1.9
148.03943	100.0
149.04321	3.1
162.05548	5.7
166.05014	21.8
166.08655	17.0
172.03946	15.7
190.04999	8.1
199.12273	1.4
204.06586	37.0
205.06813	2.5
227.11781	2.6
255.11307	17.1
262.79974	1.5
273.12329	8.8
283.10822	14.8
301.11844	96.0
302.12103	4.9
319.12949	4.5
325.11887	2.0
343.12933	24.5
344.13324	1.9
375.11526	7.0
375.15869	2.5
375.19852	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	375.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.38425	1.3
65.03947	6.7
67.05526	3.3
69.07075	2.5
69.48876	3.9
69.49278	2.7
79.05500	1.9
81.07072	4.9
85.02927	2.0
85.06509	1.7
91.05480	2.6
92.05001	3.9
93.07072	4.2
94.06577	2.9
95.04981	1.5
95.08627	2.9
96.08170	2.5
97.10145	1.8
105.07032	2.5
107.08614	2.7
108.08125	8.6
109.10137	1.8
110.09702	5.0
116.04945	1.9
120.04453	7.9
120.08118	5.4
121.10178	2.5
122.06022	2.5
123.11700	1.9
131.24756	1.4
136.07585	2.3
137.09732	1.8
138.09149	4.2
144.04472	5.3
146.06055	1.9
148.03943	100.0
149.04321	3.1
162.05548	5.7
166.05014	21.8
166.08655	17.0
172.03946	15.7
190.04999	8.1
199.12273	1.4
204.06586	37.0
205.06813	2.5
227.11781	2.6
255.11307	17.1
262.79974	1.5
273.12329	8.8
283.10822	14.8
301.11844	96.0
302.12103	4.9
319.12949	4.5
325.11887	2.0
343.12933	24.5
344.13324	1.9
375.11526	7.0
375.15869	2.5
375.19852	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	375.1992
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
52.73908	0.3
59.04992	0.5
69.63442	0.8
69.63831	0.6
71.04999	1.3
81.07034	0.3
81.72203	0.3
85.02919	0.6
121.10166	0.5
127.03970	0.3
137.06030	0.3
149.09703	0.3
153.71603	0.3
213.11182	0.4
249.90195	0.3
329.06329	1.0
357.05899	1.6
357.10040	0.4
375.07114	3.5
375.19885	100.0
376.20224	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	375.2378
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03947	5.0
55.01867	6.8
55.05512	19.5
57.03432	9.2
57.07072	4.4
59.05003	1.8
61.02929	11.6
67.05504	8.8
69.03429	34.3
69.07066	48.3
69.43713	7.5
71.04992	11.3
71.08640	1.6
73.02915	5.3
79.05491	3.7
81.03425	11.9
81.07058	30.6
83.04996	10.1
83.08616	11.2
85.02902	86.4
85.06543	27.4
87.04452	8.7
91.03959	4.6
91.05465	2.6
93.07034	12.7
95.08604	43.9
97.02892	27.3
97.06533	5.5
97.10169	10.7
99.04455	5.3
99.08094	26.3
105.07029	3.5
107.08593	26.7
109.02869	9.5
109.10143	17.2
111.08094	4.6
111.11723	6.5
113.09639	11.5
121.10148	36.4
123.11723	11.3
125.09622	8.6
127.03907	20.2
127.11199	3.4
133.10138	1.6
135.11696	14.5
137.13240	24.6
139.11177	7.5
145.04964	17.2
149.13274	5.5
151.14812	5.1
153.12730	11.5
177.16379	100.0
178.16722	6.2
195.17441	44.6
196.17793	3.3
213.18489	72.3
214.18793	4.2
267.01083	1.7
294.28104	1.6
360.51965	1.7
375.23898	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	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.05510	16.4
57.07066	4.6
65.03941	2.8
67.05510	29.2
69.07059	15.4
69.07575	14.1
71.04971	2.7
74.02058	1.8
74.73952	1.8
77.03919	3.3
79.05490	36.8
81.07056	53.2
83.04950	2.6
83.08616	3.5
87.42569	2.2
91.05478	58.9
92.98384	2.3
93.07047	79.9
95.04968	47.7
95.08608	49.7
97.06525	11.2
103.05484	4.5
105.04546	5.4
105.07030	100.0
106.07358	3.6
107.04956	2.1
107.08592	55.0
109.06528	14.4
109.10155	27.3
113.01832	2.1
115.05447	5.6
117.07018	18.5
119.08581	87.1
121.06484	17.7
121.10143	67.1
123.08073	9.0
123.11690	6.0
128.06221	8.0
129.07021	16.0
130.07794	8.7
131.08566	46.3
133.10132	40.5
135.08073	4.3
135.11694	13.4
141.07022	5.7
142.07779	20.2
143.08560	29.9
144.09341	5.2
145.10124	62.1
147.08052	4.6
147.11687	21.8
153.06990	2.8
154.07689	2.6
155.08553	8.3
156.09364	8.0
157.10138	45.6
158.10817	3.8
159.00978	1.9
159.08076	4.4
159.11699	31.6
161.09642	11.4
161.13318	3.6
165.06970	3.2
167.08534	6.5
168.09341	3.6
169.10132	16.4
170.10892	5.9
171.11697	22.1
173.09621	4.6
173.13251	19.5
175.11198	6.2
175.14815	7.4
179.08553	5.5
180.09286	3.3
181.10150	8.3
182.10934	3.2
183.11690	13.5
185.13240	6.7
187.11209	5.6
187.14775	12.5
193.10194	4.8
194.10841	4.4
195.11658	10.0
196.12543	3.7
197.13255	9.1
199.11125	2.4
199.14807	8.7
200.87840	1.9
201.16394	7.9
205.09987	2.4
206.10812	3.3
207.11682	5.6
208.12463	2.7
209.13300	9.0
211.14809	8.9
213.16447	2.4
220.12486	3.4
221.13223	4.5
223.14844	5.6
225.16344	4.9
233.13376	2.3
235.14882	4.8
239.14078	2.3
239.17970	2.5
251.18066	2.6
253.15891	5.0
253.19522	5.2
265.19397	5.4
357.25937	3.0
375.26813	21.8
375.36752	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	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01868	2.7
55.58336	1.9
56.07547	1.9
57.03426	6.5
58.22935	1.8
59.05002	59.5
61.02912	7.0
66.63396	2.6
69.03134	2.1
69.03436	27.5
69.08647	11.5
71.04989	4.2
73.02909	2.6
74.12202	2.4
80.77143	2.0
81.03421	24.8
82.77237	1.8
85.02413	3.7
85.02909	71.3
87.04469	65.5
91.03950	3.7
97.02895	100.0
99.04465	11.6
101.88128	2.2
103.03953	2.8
105.05505	71.8
109.02884	24.9
127.03924	56.2
137.05975	65.9
145.04959	68.5
145.06097	4.3
163.06024	3.1
177.05435	3.0
179.07048	22.1
179.10692	8.0
189.07545	2.4
197.08165	4.4
213.07617	3.7
230.44290	2.1
231.08646	39.2
249.09718	11.4
289.11862	2.4
317.11383	2.2
359.12387	3.5
376.16794	3.2
377.08337	23.7
377.12909	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	376.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01870	0.7
57.03436	1.5
61.02923	2.4
61.25514	0.5
61.83258	0.5
62.72403	0.4
69.03434	5.2
69.55606	1.6
71.04987	1.0
73.02930	0.9
81.03419	2.1
85.02914	22.9
87.04491	0.6
91.03951	1.1
97.02901	6.5
98.22958	2.0
99.04478	0.9
109.02903	1.5
112.08986	0.5
122.03636	0.8
127.03942	3.7
137.05989	100.0
138.06303	3.6
145.04974	6.4
151.07582	0.9
163.06018	0.7
179.07051	32.2
179.10634	7.4
180.07292	1.3
180.08694	1.5
180.11067	0.6
194.91115	0.6
197.08138	5.2
197.11726	0.8
209.70728	0.5
215.05351	0.9
228.55409	0.5
234.69131	0.6
376.06815	0.8
377.08456	10.6
377.17810	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	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
57.29120	1.8
67.05527	2.1
69.03429	4.9
69.71055	8.0
70.94459	1.9
75.46860	2.1
79.05497	1.8
81.07072	2.7
85.02904	13.2
91.05477	5.4
93.07032	4.7
97.02879	4.3
98.23379	3.9
105.07035	7.8
107.08593	37.4
107.09268	3.6
109.10163	2.2
119.08592	6.2
121.06498	2.7
125.58154	2.1
127.03970	2.8
133.10139	21.1
135.11710	6.2
137.05978	63.5
138.06316	3.9
145.04993	3.4
147.08063	4.5
151.11198	3.7
157.07648	2.5
161.09634	5.9
161.32739	2.0
167.10689	2.7
179.10657	30.4
179.24672	1.9
188.68564	1.9
197.11736	100.0
198.12035	2.4
376.12219	4.5
376.20151	13.7
377.12460	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
55.05515	3.9
56.96579	1.3
57.07076	5.2
59.26949	0.9
66.21841	1.1
67.05502	8.5
69.03442	1.0
69.07069	13.5
71.08633	41.7
72.08948	1.1
79.05495	4.9
81.07051	9.1
83.04965	1.3
83.08620	1.9
85.06570	2.7
86.06049	1.8
86.09709	12.7
88.11270	100.0
89.11622	1.4
91.05482	3.5
93.07044	11.0
95.04972	14.1
95.08606	13.5
97.06534	4.0
99.08101	3.4
104.63468	0.9
105.07017	6.3
105.23524	1.0
107.08595	8.4
109.06517	16.7
109.10173	4.3
119.08578	5.8
121.06523	2.6
121.10162	1.9
123.08041	1.4
128.98567	1.2
131.08563	4.7
132.63538	1.1
133.10130	4.3
135.08081	4.3
145.10138	3.0
147.11713	2.8
149.09671	1.0
149.13258	2.1
156.13837	6.2
159.11745	2.0
163.11220	1.3
165.12755	71.0
166.13109	1.8
170.15401	3.6
173.13252	5.4
175.11227	2.6
177.12735	1.4
184.13388	4.5
184.16998	3.1
191.14323	8.0
198.18434	1.1
198.45154	1.0
201.12813	4.0
222.18538	1.7
224.20018	8.4
226.18076	1.2
229.19559	1.4
254.21167	4.1
262.21637	5.9
271.20557	5.8
278.24808	24.6
279.25244	1.8
289.21686	7.3
314.33304	1.1
317.17947	3.7
320.26126	1.6
335.18921	9.5
353.20059	2.1
358.20593	1.9
358.30960	5.5
376.32159	53.0
376.36902	6.1
377.32544	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	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68086	0.7
69.68438	1.2
72.98520	0.4
97.82500	0.4
98.22745	0.9
135.04420	0.7
137.06017	0.8
153.14996	0.4
154.67911	0.5
163.03883	2.2
166.87263	0.4
179.03185	1.0
185.02094	2.0
197.04175	2.1
215.05246	6.8
215.07138	0.5
244.54260	0.5
283.29263	0.4
306.09598	0.4
325.29593	0.5
331.07739	0.5
359.07309	3.6
377.08411	100.0
378.08722	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	377.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66964	0.5
59.48106	0.4
65.44650	0.4
69.62442	1.5
69.98226	0.4
98.22775	0.9
117.03432	0.6
135.04376	0.6
163.03920	1.5
179.03253	0.9
180.67654	0.5
185.02142	2.2
197.04219	2.0
215.05254	5.5
244.02136	0.5
268.63696	0.5
331.07678	0.6
359.07352	2.7
377.08441	100.0
378.08765	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	378.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.27008	0.5
67.77090	0.5
69.03418	2.6
69.22128	0.4
69.55592	1.6
78.03460	8.1
80.05009	3.5
81.03419	4.8
82.03768	0.5
83.96477	0.4
85.02907	4.4
89.01538	0.4
89.48380	0.4
96.04488	2.4
97.02880	1.9
98.23394	0.5
99.04451	0.9
106.02917	30.1
109.02883	4.3
111.04440	2.5
111.70513	0.5
112.42989	0.5
120.56829	0.4
124.03952	100.0
125.04285	1.9
127.03895	2.5
127.04745	0.4
176.41528	0.5
250.07111	10.9
268.08170	8.4
272.08887	0.5
306.24835	0.5
365.18512	0.4
378.11829	41.7
379.12234	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	378.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59793	0.4
55.05515	5.7
57.03444	0.6
57.07072	3.8
67.05505	0.6
69.03432	0.7
69.07066	0.9
69.58605	1.2
69.58994	0.9
73.73641	0.4
79.05495	1.0
81.07066	2.2
83.04977	3.5
83.08613	0.8
85.02905	1.7
85.06542	3.2
91.05464	0.7
93.07044	4.3
95.08614	5.1
97.06520	1.4
105.07028	1.2
107.08591	7.3
109.06523	1.8
109.10162	1.3
111.04445	47.4
111.08102	1.3
112.04778	0.9
113.05979	1.1
117.06973	0.7
118.49743	0.5
119.08624	0.5
121.06516	0.8
121.10125	1.2
123.08062	0.8
125.05112	0.9
125.05996	12.4
127.07538	1.3
135.08066	6.8
135.11694	9.9
136.12114	0.4
137.09625	0.5
137.13222	1.1
139.07559	1.3
145.10126	9.1
149.06494	0.5
153.12750	3.6
163.11186	12.2
181.12236	100.0
181.56642	0.4
182.12593	4.3
199.13298	43.1
200.13622	1.4
200.15443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05526	1.6
57.19875	1.3
61.02951	1.4
67.05508	19.6
68.24706	1.5
69.03436	4.5
69.07079	1.7
69.61485	4.8
76.23463	1.3
79.05520	1.9
81.03410	1.8
81.07067	12.3
85.02918	13.2
86.47024	1.3
86.83802	1.2
93.07072	3.2
95.04996	2.2
95.08620	10.6
97.02916	3.5
97.06551	1.5
98.23038	4.9
99.04480	2.3
99.08131	1.9
107.08622	1.7
109.10168	64.6
119.08607	2.4
121.10150	3.1
123.11742	1.5
125.06009	9.6
127.03927	2.5
137.09631	98.5
138.09944	2.1
145.04951	1.6
147.08086	1.8
155.10678	35.9
155.11951	1.7
165.09132	54.7
166.09399	1.8
180.08611	1.7
183.08542	1.8
183.10181	36.4
201.11238	100.0
202.11531	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	380.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05507	2.4
59.05013	5.8
61.02923	3.5
67.05496	4.1
69.03432	2.9
69.07073	1.2
71.04999	3.1
78.32577	1.1
79.05495	4.2
81.03410	1.5
81.07054	10.3
82.49683	1.1
83.08625	4.1
85.02908	10.9
85.06563	18.0
86.93175	1.0
91.05489	3.7
93.07042	5.9
95.08625	8.5
95.61033	1.1
97.02893	3.2
98.22826	6.5
98.23511	2.0
99.08080	2.6
101.06044	1.4
105.07037	7.2
107.08604	61.8
108.48695	1.0
109.02869	1.7
109.06541	6.7
109.10143	2.3
113.05995	2.4
114.59110	1.0
119.08582	3.5
121.10155	38.3
122.10451	1.1
123.08082	9.0
123.11718	29.8
125.09639	41.0
127.03932	1.6
135.11700	4.4
136.02545	1.0
137.09621	18.6
137.13252	2.6
145.04987	1.9
147.11697	39.4
148.12018	1.2
153.12827	1.2
165.12769	86.7
166.13121	3.0
183.13821	100.0
184.14095	4.9
201.14877	49.6
201.16771	2.4
202.15247	2.1
279.35870	1.0
381.15164	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71292	1.8
66.06049	2.0
70.82624	2.2
78.06252	1.5
97.13929	1.4
97.20264	1.8
141.08499	1.6
201.01570	4.6
219.02698	2.1
381.07944	100.0
382.08234	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15644	1.9
54.62887	1.6
57.24015	1.7
69.63784	1.8
70.41252	2.6
70.41569	2.1
74.04112	1.9
87.96295	1.9
91.41114	1.7
110.12378	1.9
113.33952	2.1
137.99615	1.8
201.01576	4.2
219.02678	2.5
271.72665	2.1
316.44217	2.1
331.21912	1.9
349.00235	2.2
381.07947	100.0
382.08118	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	381.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58552	2.5
53.09487	2.8
55.01863	6.1
55.05512	47.3
56.23435	2.4
57.03371	3.1
59.05003	3.8
67.05505	27.4
69.03427	16.0
69.07065	7.5
71.04996	13.9
72.08155	4.7
79.05486	14.4
81.07047	20.4
83.04980	16.8
83.08617	46.1
87.04444	4.4
89.23375	2.6
91.05482	32.7
93.07054	26.7
93.20599	3.0
95.04968	88.7
95.08615	32.3
96.05276	2.6
97.06528	48.9
98.22685	4.2
105.07019	37.7
107.08595	39.6
109.06506	14.4
109.10148	11.7
111.08112	9.3
113.09636	23.1
115.05440	7.3
117.07018	10.5
119.08574	35.2
120.75533	3.0
121.06510	11.1
121.10143	13.0
123.08080	9.3
125.09625	18.4
128.06226	7.8
129.07030	12.0
130.07777	7.6
131.08586	20.7
132.09337	3.5
133.10144	8.3
135.08017	16.4
135.11673	6.5
136.08897	4.9
137.09641	4.6
139.11201	16.9
141.06990	6.8
142.07855	13.7
143.08569	27.1
144.09364	4.9
145.06537	5.9
145.10121	32.5
147.08060	15.8
147.11671	7.6
149.09680	4.6
151.11255	2.7
153.12727	6.5
155.08536	12.5
155.10677	18.8
156.09357	10.4
157.10120	41.3
158.10899	3.2
159.08051	22.2
159.11717	7.5
160.08760	2.8
161.09657	6.1
165.07004	11.2
167.08481	5.4
169.10086	15.4
170.10942	8.4
171.08040	8.4
171.11681	24.3
172.08844	9.5
173.09613	24.5
173.13300	3.9
177.12733	3.7
179.08586	10.3
179.14255	3.7
180.09308	10.6
181.10144	5.9
181.12256	13.6
183.08008	4.6
183.11703	10.1
185.09636	4.6
185.13306	17.4
187.11290	6.1
189.12697	4.7
193.10262	5.8
193.12143	4.1
194.10962	9.7
195.11707	21.9
195.13794	9.0
196.12445	4.1
197.09683	6.0
197.13295	10.7
198.10408	9.7
199.11049	4.0
199.14981	3.3
207.11702	8.9
209.13200	17.6
211.11142	3.0
211.14804	13.5
213.12752	42.3
221.13216	10.9
221.15430	8.6
222.10352	3.7
222.13966	3.9
223.14851	8.1
225.12721	7.0
226.13487	3.0
227.14407	7.6
233.15475	5.7
237.12770	3.9
239.14362	8.8
241.15828	3.6
245.15398	6.6
255.17633	4.2
255.44684	2.8
265.92184	2.9
272.17810	5.7
275.16464	4.9
279.17349	8.6
281.18994	5.5
283.16989	3.0
285.18524	4.7
287.18130	3.1
297.18512	5.5
298.19238	17.0
299.20047	3.5
305.19034	6.3
311.19977	5.0
339.23145	5.2
363.23184	7.9
370.16534	2.7
374.42361	3.0
381.24231	100.0
381.31625	5.4
382.24393	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	381.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41850	1.6
53.03957	2.0
55.01864	6.6
55.05258	3.3
55.05510	45.8
57.03384	1.6
57.07064	4.7
59.05001	2.4
65.03911	2.2
67.05495	17.2
69.03428	18.5
69.07054	7.3
69.17709	1.7
69.84856	5.2
69.85222	1.7
71.04981	8.3
71.08633	4.0
74.53837	1.8
79.05495	14.9
81.07063	14.7
83.04984	15.4
83.08620	39.5
85.02891	4.4
85.06569	2.0
86.41532	1.8
87.04469	4.7
89.06025	6.7
91.05482	28.6
93.07046	21.7
95.04967	66.8
95.08609	26.5
97.06532	38.0
99.08104	2.3
105.04532	2.3
105.07019	32.3
107.04990	2.0
107.08585	36.7
109.06539	11.5
109.10142	8.1
111.08084	7.9
113.09641	26.6
115.05418	4.0
116.06249	2.3
117.07034	12.3
119.04903	2.2
119.08586	27.8
121.06512	11.6
121.10137	6.7
123.08073	9.9
125.09632	19.1
128.06201	7.2
129.07014	12.4
130.07767	5.9
131.08562	19.3
133.06485	2.7
133.08620	2.9
133.10114	8.5
135.08078	13.7
135.11670	3.3
137.05975	6.5
137.09596	5.2
139.11137	15.2
141.06963	5.9
142.07745	11.9
143.08542	24.9
144.09288	5.9
145.06476	4.2
145.10117	23.3
147.08029	11.7
147.11688	3.4
149.09605	4.4
153.09143	2.3
153.12727	9.5
154.07756	2.9
155.08597	12.8
155.10626	18.3
156.09354	5.7
157.06569	2.4
157.10133	38.5
158.07309	3.7
158.10930	2.6
159.08047	19.3
159.11699	7.4
160.08841	2.4
161.09605	8.3
163.11125	2.6
165.06995	7.9
165.12790	2.1
167.08569	5.3
168.09381	3.1
169.10129	15.6
170.10916	7.2
171.08061	8.1
171.11705	20.0
172.08862	8.3
173.09618	22.3
173.13243	4.3
175.11192	5.2
177.12784	2.4
179.08514	9.4
179.10715	2.1
179.14244	3.6
180.09322	6.9
181.10107	7.6
181.12242	14.1
183.08015	3.8
183.11656	11.3
184.12506	2.0
185.09647	8.6
185.13246	15.1
187.11159	5.3
189.12666	4.0
191.14326	3.0
192.09315	2.8
193.10092	3.4
194.10916	6.8
195.11697	24.2
195.13791	9.4
196.12314	3.4
197.09616	7.2
197.13332	8.3
198.10323	3.9
199.11186	4.2
199.14838	3.3
201.12698	2.8
203.14297	2.5
206.10896	2.9
207.11688	5.4
208.12511	3.9
209.13252	17.0
211.11139	4.0
211.14748	9.7
213.12737	34.9
214.13252	2.6
215.14474	2.4
215.20009	2.4
220.12617	2.2
221.13261	9.1
221.15427	5.3
222.10455	2.0
222.14011	2.9
223.14780	4.8
225.12729	4.2
227.14265	6.5
233.15346	5.0
235.14857	4.4
237.12674	4.2
239.14325	8.4
245.15359	5.3
248.15718	2.0
249.14728	2.7
253.15982	2.3
255.13808	2.8
255.17407	3.2
261.16519	3.4
272.17783	4.8
273.18539	2.0
275.16318	4.1
277.19614	2.5
279.17365	5.7
281.19009	5.6
285.18362	2.4
286.19412	2.6
287.18033	2.9
297.18439	6.0
298.19257	21.2
299.19904	4.2
305.19040	5.6
311.20099	2.2
323.20105	3.1
339.23059	2.9
348.25970	2.1
363.23099	6.1
365.28891	3.0
381.24185	100.0
382.24640	7.7
383.84967	1.7
384.99310	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	382.1709
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.07062	3.1
58.97018	1.3
59.05007	2.6
64.30797	1.2
67.05509	2.6
69.07063	2.1
70.02951	2.8
71.45997	1.4
72.04506	7.8
73.02905	1.7
85.02892	3.5
85.06549	5.9
86.09737	1.4
90.05556	56.1
90.06122	2.7
90.67805	1.2
92.61783	1.1
95.04986	3.5
97.02914	1.4
98.02393	6.0
98.23007	1.4
103.07589	3.2
113.06009	3.6
116.03460	8.5
124.07608	9.0
131.06961	1.2
142.08650	4.0
143.57112	1.4
166.08665	1.8
184.09674	10.2
202.10733	18.7
220.11804	100.0
221.12160	3.2
226.88136	1.5
283.29810	1.3
297.14313	1.4
382.08133	7.1
383.09622	6.1
383.13809	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	382.1709
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.03760	0.7
55.01880	0.7
57.07070	1.7
59.04993	1.4
66.34833	0.6
66.56709	0.7
67.05493	2.0
69.03414	1.5
69.07071	3.6
69.50330	1.4
69.50735	2.0
70.02942	2.1
72.04176	0.8
72.04515	7.3
73.02909	1.7
74.02441	0.7
81.03416	1.0
83.04988	1.1
85.02911	4.2
85.06543	5.0
86.09693	0.7
86.69642	0.6
87.08086	1.1
90.05553	57.4
95.04951	2.9
96.08154	0.7
96.47369	0.6
97.02874	1.4
98.02411	8.2
98.22780	1.3
98.23431	1.1
100.03968	0.8
103.07566	3.8
108.50072	0.6
109.02862	0.8
113.05994	1.9
116.03455	7.6
124.07575	8.9
131.07016	0.7
142.08606	3.7
153.66714	0.7
156.10310	0.7
160.09695	1.1
166.08655	0.7
167.10744	1.2
171.35043	0.7
174.11272	1.2
184.09671	10.7
185.04120	1.3
185.11743	0.9
202.08882	1.4
202.10744	19.3
220.11794	100.0
221.12112	3.2
301.18134	0.7
382.08167	1.1
383.09402	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	382.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97726	1.0
51.39136	0.7
51.97635	0.9
53.23091	0.8
55.05516	3.0
56.21756	0.9
57.03442	1.0
58.87962	0.8
59.04993	1.4
60.15773	0.9
61.02918	1.0
61.44310	0.9
64.51191	0.8
65.40539	0.7
65.88492	0.8
66.63700	0.8
67.05503	2.2
68.15095	0.7
69.03439	2.7
69.07071	3.2
69.46495	3.5
70.06599	0.9
71.04990	13.2
79.05499	5.9
81.03442	0.9
81.07056	11.3
83.04966	1.2
83.08620	0.9
85.02911	6.1
87.04478	1.7
91.05499	1.6
93.07039	5.6
95.08611	6.5
97.02895	1.1
97.06544	3.8
98.22746	1.8
105.07021	1.3
107.08569	7.9
110.07181	5.0
115.03951	1.8
121.10151	35.5
122.10481	1.8
123.08131	1.0
123.11721	9.4
125.06005	3.8
125.09599	1.9
127.07565	1.5
127.08651	1.0
130.06544	1.7
131.08614	0.9
139.11172	23.1
140.11548	0.9
144.08061	1.4
149.09621	7.1
156.07767	1.4
157.12277	5.0
166.08644	1.0
167.10681	27.9
168.11118	1.0
172.07576	2.4
185.11736	100.0
186.12109	4.4
203.12811	22.9
207.07669	4.4
220.09839	1.2
321.82172	1.0
323.12381	1.7
329.11130	1.0
337.91922	1.0
364.14841	1.0
366.13129	4.8
382.15488	3.9
382.19727	1.7
383.12939	3.3
383.16742	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	382.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.8
55.40117	2.1
57.07075	5.6
67.05501	5.0
69.03423	4.2
69.07067	38.0
71.46487	2.3
79.05495	4.1
81.07056	14.1
83.04952	2.5
83.08616	17.7
85.02907	8.2
93.07049	13.5
95.08611	9.8
97.06539	3.3
97.10165	3.9
104.22040	2.6
105.07030	4.1
107.08624	11.0
109.10184	8.2
111.08095	12.8
121.10160	10.2
125.13270	12.2
127.59068	3.0
133.10143	3.0
135.11737	3.2
144.44421	2.7
149.13232	34.1
154.05099	2.5
155.12701	2.7
159.11815	2.7
167.14319	37.0
180.77782	2.8
185.13655	5.3
185.15359	100.0
203.16515	3.9
247.65356	2.7
383.16742	7.3
383.20880	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03704	0.2
54.98622	0.3
56.96564	7.6
64.11376	0.2
69.45123	0.9
71.95254	0.5
73.88510	0.2
87.25794	0.2
90.80781	0.2
97.30127	0.2
98.97578	100.0
99.97910	0.7
101.26707	0.2
116.98618	48.2
117.98978	0.5
134.99652	13.0
140.00208	0.7
153.00728	0.8
158.01186	0.2
170.73396	0.2
174.57458	0.2
174.97678	0.4
181.97392	0.4
192.01671	0.3
198.97528	0.3
204.28247	0.2
216.98672	1.4
217.98874	0.3
234.99760	1.6
235.99921	0.5
240.98578	5.3
241.00829	0.4
241.98949	0.3
257.96790	0.2
258.99750	65.8
259.75677	0.2
259.99905	4.7
261.03168	0.4
274.97598	0.6
275.97983	0.5
277.00797	75.5
278.00986	5.8
279.01294	0.4
282.01260	0.9
295.01874	0.4
298.97687	0.5
299.97928	1.1
300.02414	0.8
301.01147	0.2
302.01273	0.3
316.98886	0.5
317.99008	1.2
318.98569	0.5
334.03140	0.3
341.99005	0.8
342.98584	0.3
360.00058	1.8
360.99377	0.6
378.01041	0.3
382.99820	1.9
383.99710	0.3
401.00958	5.7
402.01138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.1
69.07059	1.8
70.06587	1.6
71.05003	1.5
81.07101	1.2
85.02898	4.0
97.02908	1.7
97.06538	1.5
98.23199	2.1
109.54213	1.6
120.08149	3.2
121.08453	1.5
123.08165	1.4
125.09629	1.7
136.06190	6.4
148.06270	2.2
149.09590	2.1
163.03928	2.8
164.07123	3.5
167.10721	3.0
185.04234	80.6
185.11713	6.9
186.04558	1.4
186.12024	2.6
194.19221	1.6
204.12608	1.5
204.30232	1.2
221.04240	46.2
222.04500	1.5
222.07628	2.1
222.13516	13.6
236.11058	2.0
238.05374	16.3
240.06946	2.0
302.23260	1.3
311.25201	1.3
383.09436	100.0
383.13324	41.6
384.09866	4.8
384.14148	2.6
384.18555	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	383.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
54.66435	1.3
55.01894	1.4
57.03441	3.9
61.02926	3.5
69.03427	12.4
69.30768	1.2
71.05016	1.6
71.42443	1.4
73.02923	2.9
74.02432	1.8
74.72314	1.1
81.03425	5.7
85.02909	32.2
87.04498	1.4
89.56976	1.3
94.06594	2.8
97.02888	7.5
98.97589	12.5
99.04486	2.1
109.02889	4.5
110.03603	1.3
115.05428	1.2
116.98654	7.1
118.06556	5.4
127.03922	7.0
130.06531	54.3
131.06902	1.3
132.04468	15.8
132.08125	5.1
134.99649	2.6
136.07581	1.3
143.07307	1.7
144.06955	3.1
144.08072	21.6
145.05154	2.8
145.07613	21.2
146.06027	10.9
146.53001	1.5
148.07588	4.1
154.06519	4.3
156.06859	2.5
156.08128	4.3
157.07610	52.3
158.06026	43.5
158.08061	2.1
159.06396	2.2
159.09174	8.6
160.07585	3.5
163.03915	1.5
169.07620	7.0
169.34230	1.4
170.06023	1.7
170.08328	1.5
171.06844	1.9
171.09137	8.4
171.10266	1.1
172.07541	10.5
173.10820	1.8
174.05582	7.3
175.08673	61.4
176.07101	2.9
176.09010	2.7
180.08238	1.7
181.07660	3.6
182.08389	3.1
183.09178	14.1
184.06071	1.8
185.07158	9.9
186.05513	3.2
186.07854	1.5
187.08665	2.4
188.07050	2.3
197.07286	1.4
199.08647	9.4
200.07051	16.7
200.08762	1.8
203.08160	100.0
204.06624	3.9
204.08607	4.0
207.09196	1.8
208.07347	1.5
209.07138	9.8
210.09323	1.5
215.08156	2.0
216.08858	3.1
217.09717	31.4
217.11684	2.0
221.09213	46.8
222.09465	2.1
227.08179	12.5
228.06618	3.2
228.08568	1.6
231.07602	6.3
245.09230	22.9
258.99866	7.6
263.10287	44.6
264.10532	3.0
266.08209	2.1
269.09341	2.2
274.10529	2.0
275.10318	1.7
277.00769	10.1
283.10693	1.4
299.10294	6.5
311.10104	1.6
317.98514	1.5
329.11389	3.0
330.87646	1.6
347.12350	9.7
348.10410	9.3
365.13425	29.8
365.17700	2.7
366.14026	2.1
383.08981	2.6
383.14349	23.7
384.14468	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	383.168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17459	0.3
65.16191	0.3
69.03420	0.4
69.53226	0.5
69.53565	1.3
71.05038	0.3
71.61349	0.3
81.07051	0.3
98.22518	0.3
107.08579	0.4
119.08622	0.4
159.11638	0.4
185.04216	1.4
203.05301	0.4
221.11488	16.6
222.11847	0.5
239.12285	0.3
383.16769	100.0
384.17157	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	383.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49460	0.4
53.10112	0.3
55.05519	2.0
56.05048	0.5
58.06594	1.7
61.02906	0.7
67.05505	0.8
67.91454	0.4
69.03440	0.8
69.88367	0.5
69.88730	1.3
70.06606	0.9
71.05015	0.5
73.02904	0.6
76.15446	0.4
79.05466	0.6
81.03425	1.2
81.05788	0.5
81.07047	1.7
82.06586	4.3
83.04971	0.5
83.08622	1.1
83.44979	0.5
84.08141	100.0
85.02903	1.2
85.08464	1.1
89.57714	0.4
93.07058	1.0
95.04970	0.7
95.08585	1.0
96.08133	3.4
98.09689	6.4
98.98437	0.7
99.04414	0.7
99.75492	0.4
105.07001	0.7
107.08625	1.0
108.08126	0.7
109.06517	0.7
109.10154	0.4
110.09684	3.0
111.08063	3.1
112.11241	14.3
113.02409	0.4
113.09572	0.5
119.08616	0.8
121.10107	0.4
123.08110	0.6
126.09178	0.5
131.08549	0.6
136.11234	0.7
137.05949	0.7
138.11685	0.8
138.12770	5.9
165.09105	0.7
185.04298	0.6
193.12259	1.0
195.10146	0.9
207.18629	0.7
211.09694	1.0
211.13312	0.5
213.11208	1.3
221.07840	1.3
221.11732	0.6
222.29367	0.4
239.09193	1.0
243.03731	0.4
257.10269	0.9
285.16959	1.4
288.14438	1.1
312.14386	1.2
314.15924	1.7
340.17688	0.6
383.13345	1.4
383.16745	23.5
383.21713	43.6
384.17062	2.2
384.22089	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.38287	4.2
55.05509	14.2
55.69079	5.0
57.07076	10.2
57.22007	4.0
59.04997	4.6
60.66122	4.7
67.05501	41.5
69.03426	15.4
69.07060	8.2
71.05013	10.3
76.61915	4.3
79.04487	4.1
79.05103	4.1
79.05493	26.8
81.07043	30.8
83.04995	8.1
83.08644	7.7
85.06562	5.1
91.05475	51.6
93.07044	82.3
95.04967	32.4
95.08605	39.8
97.06522	18.4
105.07037	81.5
107.08596	45.1
109.06533	26.7
109.10172	23.5
110.79700	3.9
111.08116	7.6
111.31782	5.2
117.07011	13.6
119.08583	58.5
121.06523	12.7
121.10163	43.8
123.08054	23.2
126.84818	4.9
128.06233	14.4
129.07034	15.0
130.07750	6.1
131.08580	21.8
133.10138	38.1
135.08020	24.2
135.11722	7.4
137.09601	12.4
141.06985	9.3
142.07747	23.8
143.08582	32.5
144.09378	4.3
145.10156	44.6
147.08058	24.2
147.11682	14.1
149.09615	22.7
151.07541	46.5
155.08562	8.5
156.09357	13.3
157.10107	46.3
159.08105	9.0
159.11661	11.5
161.09599	22.8
161.13240	4.7
163.11131	7.9
163.44389	4.4
165.09120	28.2
169.10106	6.2
171.11726	8.9
173.09624	16.2
173.13232	9.5
175.11131	24.9
175.14807	14.4
177.09056	10.3
181.12170	6.2
183.11682	6.6
185.13217	27.0
187.11183	7.5
187.14763	4.9
188.26778	5.0
189.12785	15.0
195.11794	7.6
197.13293	9.1
201.12686	5.2
203.14302	35.9
207.13779	8.0
209.13249	4.3
209.15369	8.3
211.11211	5.5
215.14455	9.7
221.13254	7.7
221.15349	90.4
222.15677	5.1
234.16226	10.5
238.80717	4.5
281.18939	6.7
286.19122	6.3
287.20135	15.9
299.20081	5.7
303.19431	9.1
365.24896	12.6
383.18039	6.2
383.25848	100.0
383.30621	11.8
384.26031	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03961	5.7
55.05518	10.6
57.07087	8.6
59.04982	6.8
62.66142	4.9
67.05512	22.9
69.03434	13.0
69.07069	7.8
70.22844	4.9
79.05479	23.6
80.78732	4.8
81.07057	32.1
91.05471	44.0
91.05936	5.0
93.07043	100.0
93.07599	7.2
93.66647	4.9
95.04985	26.9
95.08612	45.9
97.06524	13.5
98.14219	5.3
105.07031	74.8
107.04871	4.8
107.08606	36.9
109.06518	19.9
109.10164	20.4
111.08074	8.3
117.06989	9.8
119.06136	4.8
119.08576	51.7
121.06523	19.3
121.10151	34.0
123.08056	27.4
126.78311	4.6
128.06206	8.5
129.07031	12.3
131.08563	29.4
133.06505	6.4
133.10143	26.0
135.08087	21.5
135.11787	7.8
137.09651	11.4
142.04236	5.2
142.07800	21.4
143.08566	24.5
145.10159	32.0
147.08031	27.2
147.11670	12.0
149.09621	17.0
151.07538	41.7
154.41344	4.7
155.08522	5.2
156.09337	9.5
157.10146	42.1
159.08087	6.2
159.11664	13.8
161.09639	20.6
165.09071	35.8
170.10948	5.5
171.11774	5.1
173.09630	10.1
173.13281	6.2
175.11200	21.0
175.14697	6.4
177.09099	9.7
185.13252	13.2
187.11232	8.5
189.12729	10.8
201.12784	6.8
203.14322	25.5
207.13792	12.9
215.14336	5.6
221.15366	92.5
223.11595	6.1
234.16267	5.9
286.09769	5.3
286.19330	5.6
287.20102	7.8
299.20251	5.9
303.19366	8.8
316.39279	5.8
350.57019	5.2
365.24826	6.7
383.11484	9.0
383.25751	82.3
383.30191	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	384.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18514	0.9
55.05516	11.3
57.03443	1.2
57.07080	1.6
59.05006	1.1
61.02934	2.4
67.05511	44.7
69.03452	6.0
69.07065	2.3
71.00529	0.8
71.00896	1.0
71.05004	2.9
73.02918	1.3
79.05505	3.7
81.03419	2.1
81.07066	100.0
82.07397	2.0
82.96172	0.9
83.08627	2.8
85.02910	20.0
85.06561	1.5
95.08598	2.4
97.02895	5.9
97.10184	2.5
98.23107	1.3
109.02904	2.0
114.89884	0.8
123.11720	94.4
124.12077	2.9
127.03931	1.5
141.12756	69.0
142.13135	3.0
145.04971	2.8
145.10173	1.3
147.30067	1.0
159.13817	38.3
163.11220	1.1
187.13301	12.7
197.09358	0.8
205.12329	3.1
205.14362	68.8
206.14774	2.3
293.56958	0.9
384.16843	2.0
385.14075	1.9
385.18280	4.0
385.22250	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	385.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22681	0.5
55.27401	0.5
57.45144	0.5
61.13671	0.4
70.71374	0.8
85.02879	0.7
95.04958	1.1
106.76773	0.5
116.73660	0.5
123.08131	0.6
128.41084	0.5
135.17648	0.6
163.11159	0.8
185.04193	2.8
189.12714	0.7
223.09407	100.0
224.09692	3.1
334.83716	0.5
385.14633	80.8
386.15021	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	385.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53233	0.9
55.05502	1.4
67.05501	1.4
69.03447	1.3
69.07068	1.0
69.20716	1.8
69.21122	2.9
71.05000	0.9
79.05489	1.5
81.03402	1.3
81.07052	3.0
85.02899	2.8
85.06522	1.1
87.04491	1.6
91.05486	1.0
92.52931	0.8
93.07037	1.6
95.04967	1.6
95.08604	1.0
97.02934	1.2
97.06528	1.1
98.22698	1.6
105.06998	2.0
107.08596	1.7
109.02879	1.0
119.08590	2.0
121.06557	1.0
121.10121	1.6
127.03910	1.2
127.24216	0.9
130.12105	0.8
135.08060	0.9
135.11685	1.0
147.11688	1.0
149.22318	0.8
161.09592	1.2
161.13248	0.9
163.11247	2.5
167.60985	1.1
185.04240	4.5
205.12202	6.4
207.32339	0.9
223.09570	2.0
223.13057	54.0
224.13428	2.7
361.02316	1.7
385.18304	100.0
386.18689	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	385.1837
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
53.76231	0.4
67.05508	0.4
69.03418	0.5
69.46520	0.9
69.46921	1.1
81.03442	0.4
81.07051	0.6
85.02915	1.2
85.06567	0.4
89.49198	0.4
95.04967	1.8
95.08669	0.4
121.10185	0.5
123.08038	0.4
124.17216	0.4
145.10124	0.4
163.11223	1.3
177.12872	0.5
185.04228	2.0
203.05360	0.4
205.12233	2.0
215.43637	0.4
223.09416	23.0
223.13145	2.7
224.09840	0.9
293.20432	0.5
385.14578	10.5
385.18457	100.0
386.14590	0.9
386.18790	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
56.01741	0.7
57.03439	1.2
58.67840	0.7
61.02920	1.1
67.05502	0.9
69.03430	4.9
69.60882	2.5
71.04993	1.6
79.05498	1.7
81.03413	1.6
81.07053	1.8
83.05010	0.9
84.08135	1.8
85.02913	20.6
85.08459	1.1
86.76748	0.7
87.04478	1.4
91.05478	2.4
93.07057	3.9
95.04969	7.7
95.08603	0.7
97.02879	3.3
97.06529	1.1
98.23002	2.5
98.97585	0.9
99.04454	2.5
105.07027	3.3
107.08604	6.7
109.02888	2.0
109.06519	1.6
109.10185	0.7
111.04503	1.4
119.08582	4.1
120.49630	0.8
121.06506	1.1
121.10153	8.0
123.08134	3.0
125.05997	2.3
127.03946	2.1
129.06993	0.7
131.08571	0.8
133.10156	1.3
135.08148	0.8
135.11760	0.6
136.75078	0.8
137.09642	2.0
139.17140	0.6
143.10683	3.4
144.11258	1.0
145.05008	0.9
145.10138	4.0
147.08022	3.0
149.05981	0.7
159.11713	1.2
161.09607	1.6
163.11180	8.8
165.09053	0.9
167.07132	1.1
172.08870	0.7
177.12759	1.4
181.12262	2.3
187.11241	2.0
203.05309	0.7
205.12253	55.8
206.12627	2.1
223.13293	23.7
224.13530	0.9
255.08994	0.8
283.08575	1.6
315.11145	0.7
380.61990	0.6
382.92441	0.7
385.18311	100.0
386.18680	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	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
61.02919	4.5
61.08559	2.3
62.74344	2.5
67.05495	6.0
69.03438	17.4
69.11543	16.4
71.04980	6.5
79.05495	3.9
81.03419	7.8
81.07056	7.6
83.05003	2.8
84.08120	4.5
85.02912	35.9
91.04001	2.5
91.05482	7.6
93.07030	5.9
95.04976	81.2
95.08585	4.5
97.02894	10.8
97.06518	6.4
98.22801	9.6
98.23490	6.4
98.97609	2.3
99.04461	3.8
105.07040	7.5
107.08597	8.3
109.02892	5.8
109.06524	3.9
109.10213	2.7
117.07023	3.3
119.08573	8.6
121.06513	6.7
121.10148	11.6
123.08085	20.7
125.06031	12.3
127.03963	9.7
128.06271	2.3
133.10165	4.2
135.08075	3.8
135.11696	6.5
137.09572	4.8
143.10818	2.4
144.09314	2.4
145.10103	14.2
147.08032	9.7
148.08804	2.7
149.05989	3.0
159.11691	4.7
161.09593	10.2
162.10374	8.6
163.07506	2.7
163.11195	52.9
167.07077	13.5
177.12668	3.5
179.10693	2.5
181.12245	20.0
187.11177	4.5
205.12265	67.6
206.12476	5.2
207.13773	3.9
223.13295	48.6
223.79991	2.8
224.13596	2.5
236.36293	2.3
241.07513	6.6
255.09033	3.5
275.78809	2.6
385.14621	100.0
385.18637	10.4
386.14856	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01875	5.5
55.05512	12.9
55.90953	1.6
57.03436	4.3
57.07074	4.9
65.03952	3.1
67.05508	20.0
69.03434	6.7
69.07065	11.4
71.05010	3.2
71.08630	12.7
78.11765	1.7
79.05499	18.6
79.34792	1.8
81.07059	24.1
83.04983	7.3
83.08630	4.3
85.06573	3.0
91.05486	17.1
93.07050	26.8
95.04968	12.5
95.08598	16.5
96.05766	5.0
97.02908	12.0
97.06543	9.6
97.10165	2.1
99.08103	7.1
105.04581	1.9
105.07047	11.6
107.08618	8.0
109.06544	19.1
109.10152	6.0
111.04453	17.7
111.08152	2.1
113.06013	4.6
117.07071	2.3
119.08611	8.1
121.06516	20.8
121.10158	11.5
123.04410	11.2
123.08112	7.3
123.11678	3.8
124.05198	2.8
125.06010	3.8
129.07019	3.2
131.08582	15.6
133.10176	4.0
135.08061	5.2
137.05992	4.8
137.09590	4.0
139.11253	2.3
140.74445	1.9
145.10144	4.2
147.08054	2.5
147.11729	3.0
149.09676	9.8
151.07509	3.6
151.11238	3.8
151.67775	1.8
159.11685	1.8
161.13261	4.3
163.11130	3.9
165.12753	19.4
173.55524	1.7
179.14307	2.5
181.12241	100.0
182.12544	2.1
189.12804	3.5
191.14371	4.8
207.13733	2.9
229.14467	2.1
261.16760	1.8
261.21991	2.0
263.16528	2.3
277.21625	4.6
288.28616	2.1
289.21506	12.4
291.29282	1.7
305.17844	3.0
305.21103	23.5
306.21646	3.0
321.53122	1.9
349.23590	2.4
351.25336	68.8
351.29681	3.3
352.25711	5.2
399.24808	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	386.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01865	3.0
55.05528	1.5
55.75394	1.5
56.96807	1.3
57.03429	5.1
61.02942	10.5
67.05492	1.9
69.03440	16.4
69.07057	2.3
69.53799	5.0
71.04993	3.6
73.02927	3.5
79.05501	26.7
81.03423	7.4
81.07053	3.3
85.02911	92.2
85.06552	40.8
87.04469	4.0
91.03960	4.4
91.05478	3.1
93.07060	3.4
95.04971	4.5
95.08603	3.3
97.02905	23.5
99.04444	4.0
105.03396	19.4
105.07042	4.0
109.02898	8.6
109.06492	2.9
109.10171	4.2
115.03898	2.3
119.08615	5.6
121.10162	15.2
123.04442	100.0
123.08056	6.5
123.11700	2.0
124.04890	1.8
127.03931	24.8
135.11742	1.8
137.09612	2.9
145.04977	41.5
145.10077	2.7
147.08081	2.7
147.11681	2.6
149.09662	5.3
151.07547	3.6
151.37776	1.7
156.09406	2.3
161.13243	8.5
163.06023	9.3
164.07033	2.0
189.09074	2.5
189.12766	10.0
201.12761	1.7
206.15405	3.1
207.13828	10.2
224.16475	5.4
229.10567	2.3
285.09644	1.6
350.93649	1.6
386.18652	2.0
386.29556	2.0
387.19818	2.7
391.29388	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	386.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62147	1.3
55.01879	1.4
55.05518	1.5
57.03442	8.8
57.12631	1.3
61.02945	1.6
63.59264	1.2
68.30646	1.1
69.03428	4.6
70.15591	2.6
71.04997	68.3
73.02932	2.0
75.04491	6.1
77.13036	1.2
81.03439	1.2
83.04974	8.1
83.21597	1.2
85.02911	100.0
86.03265	1.2
87.04485	1.2
94.63326	1.1
97.02900	5.2
98.23107	2.9
99.04447	5.0
101.31160	1.4
103.03928	1.5
109.02882	2.5
109.10166	1.9
111.04440	4.8
114.45410	1.1
117.03428	2.0
123.04462	1.8
127.03934	4.4
129.05484	44.7
131.21388	1.3
135.04448	3.2
145.02904	2.1
145.04968	8.4
147.06541	25.3
154.95641	1.4
163.03911	34.4
163.06061	4.0
164.09195	5.0
167.03406	1.6
191.10706	1.9
195.02933	1.6
225.07274	1.3
255.08714	1.9
258.06531	1.3
273.09857	1.4
295.10626	1.1
309.11719	2.0
345.43558	1.2
373.23120	1.2
386.15051	4.6
387.12131	1.5
387.16367	14.9
399.70566	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	386.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.8
56.67756	1.0
56.95971	1.2
57.03449	9.5
61.02937	1.3
67.21048	1.0
69.03424	2.7
71.05001	64.7
73.02930	2.7
75.04486	4.4
83.04983	7.5
85.02917	100.0
86.03236	1.3
87.04478	2.3
97.02914	4.3
99.04460	2.0
103.03928	1.6
109.02910	1.4
111.04454	5.4
127.03905	5.3
129.05489	46.2
145.04926	7.8
146.08159	1.4
147.06541	26.0
163.03955	5.4
163.06027	3.1
164.09189	6.1
165.07651	1.2
223.11728	1.7
254.74423	1.1
255.08559	2.7
273.09610	2.3
309.11853	2.4
339.24719	1.1
342.45950	1.1
386.14804	2.4
387.12576	1.1
387.16498	7.4
387.20630	1.4
406.48944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46981	1.7
55.01867	3.3
55.05508	4.5
57.03436	3.5
59.04997	2.3
61.02929	3.0
67.05492	3.3
69.03416	5.1
69.78299	5.8
70.06564	1.7
71.01353	11.3
73.02917	6.0
79.05489	3.8
80.31090	1.6
81.07053	6.8
84.04501	2.1
85.02908	10.3
87.04446	2.5
91.05477	6.4
93.07039	6.5
93.34473	1.7
95.04972	2.5
95.08595	5.2
97.02892	6.0
105.07032	33.8
107.08604	9.2
109.06534	2.9
109.10149	2.3
111.04469	2.3
115.03928	4.0
117.07034	3.6
119.04922	3.0
119.08580	21.9
121.10134	7.8
123.08060	3.8
128.06255	3.8
129.06984	5.6
131.08569	34.9
133.04990	4.0
133.10141	5.9
135.08058	11.9
135.11679	3.9
142.07788	3.9
143.08559	20.7
145.10107	18.6
147.08015	8.8
147.11670	9.4
149.09604	5.8
155.08543	8.2
156.09354	21.5
157.06509	3.9
157.10159	9.1
158.10896	6.3
159.08064	6.0
159.11682	21.7
161.09738	2.3
161.13182	3.1
165.06998	3.1
165.09091	1.9
167.08598	4.1
169.10165	8.1
171.11687	64.3
172.12093	2.7
173.13263	92.0
174.14003	8.7
175.14833	5.1
179.07059	3.5
179.08548	2.9
180.09299	3.4
181.10104	6.0
182.10931	3.4
183.08051	3.9
183.11693	8.5
185.13269	21.3
187.14911	2.8
189.12755	24.5
193.10112	5.2
194.10838	4.1
195.11711	14.1
197.09587	3.1
197.13269	22.7
199.11115	3.0
201.12759	7.3
206.10924	2.7
207.11877	1.6
207.13791	39.4
208.12473	4.0
209.13264	9.1
211.11275	3.5
211.14888	5.5
213.09175	4.2
213.12752	3.0
215.14301	6.2
221.13316	3.3
222.96779	1.8
223.14780	8.7
225.12776	3.0
227.14253	7.0
229.12288	4.3
231.10114	4.3
233.13153	3.3
235.14874	3.0
239.14278	8.2
245.15393	3.5
247.13435	1.8
249.12735	5.7
251.14336	8.1
255.13686	2.2
257.15314	4.3
267.13889	2.6
269.15366	33.0
271.12106	1.9
277.10663	3.3
279.05847	1.7
279.13745	2.5
287.16406	32.9
297.14685	3.7
305.17462	23.7
315.16013	4.0
323.18503	7.3
333.16931	27.3
351.18018	100.0
352.18329	7.8
386.14825	2.8
388.98773	1.8
393.95923	1.9
409.79727	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	386.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05515	7.4
57.03433	2.1
57.07077	12.0
59.05005	1.3
61.02928	2.6
67.05503	1.7
69.03443	5.6
71.04979	1.0
71.44541	0.9
73.06577	1.4
79.05530	1.6
81.03416	2.8
81.07057	4.1
83.04986	1.3
83.08628	3.7
84.65271	0.8
85.02910	18.1
87.04472	1.1
89.06040	56.1
90.06339	1.8
91.05471	1.2
93.07064	2.5
95.04988	2.7
95.08609	1.3
95.91021	0.8
97.02905	4.7
101.09675	7.9
105.07033	2.3
107.04948	1.0
107.07069	2.2
107.08587	2.1
109.02899	2.0
109.06534	2.0
109.10178	2.7
111.08129	1.2
119.08578	2.0
119.10717	1.0
121.10158	3.8
123.08058	7.3
123.11721	1.3
125.06013	0.9
127.03938	2.9
129.07047	0.9
131.08649	1.6
133.08612	19.2
135.08096	1.4
137.09605	2.5
142.07819	1.3
143.08585	9.1
144.08902	1.0
145.04973	3.1
145.10156	1.4
145.12273	9.7
147.08072	1.3
147.11714	2.8
149.09659	2.7
151.07701	2.2
151.09671	24.7
152.10004	1.2
156.09337	4.9
161.09758	0.9
161.13206	1.3
163.11162	4.6
165.09047	2.3
165.12752	2.9
171.11702	29.1
172.12000	1.2
179.14325	1.2
181.12260	1.4
189.12773	6.2
193.77002	1.1
206.12875	1.0
207.13898	10.6
207.15915	100.0
208.16330	4.7
223.13159	1.1
225.10324	2.2
225.14827	3.9
235.08809	1.2
253.09833	5.0
281.09152	7.6
309.08698	9.1
327.09668	2.2
332.02036	1.1
333.81714	1.0
337.08054	1.7
355.09293	8.6
373.10446	1.1
386.14175	5.6
386.19012	14.1
387.15536	2.0
387.19901	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	387.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64395	3.0
76.96519	0.8
94.93012	5.6
114.40879	0.7
123.82037	1.0
136.94025	40.4
137.94385	1.0
148.94029	6.2
158.01811	0.8
166.95103	15.9
173.33080	0.9
178.28949	0.7
196.96124	8.9
200.70055	0.7
206.98212	68.7
207.98593	1.9
256.98172	5.0
310.27606	0.8
387.04529	100.0
388.04871	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	387.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10490	1.7
55.05498	6.2
57.03422	1.9
61.02916	2.6
63.51759	1.3
63.86854	1.5
67.05501	11.8
69.03427	11.1
69.07079	4.1
71.04991	4.5
79.05500	3.8
79.93733	1.4
81.03426	5.3
81.07053	8.5
83.08623	16.6
85.02908	24.1
85.06545	3.3
87.04509	1.6
91.05472	3.7
93.07031	6.5
95.04964	6.3
95.08623	8.7
97.02900	13.4
97.06539	1.9
98.32456	1.3
99.04449	3.3
105.07027	8.8
107.08599	14.0
109.02899	3.3
109.06506	3.4
109.10171	40.4
111.04475	1.8
111.08095	3.1
117.07001	1.5
117.75399	1.5
119.08587	9.9
121.06506	2.4
121.10183	9.0
123.08088	9.6
123.11691	2.4
125.05988	3.0
125.09658	2.4
127.03923	5.0
131.08603	2.3
133.10124	3.8
135.08031	2.3
135.11673	3.9
137.06007	3.3
137.09619	5.7
139.07533	5.1
139.11136	2.2
143.08546	3.0
144.39888	1.3
145.04971	4.2
145.10136	2.8
147.08063	2.6
147.11723	9.2
149.09628	7.4
151.07581	3.2
153.09106	2.3
161.09676	2.4
161.13263	6.2
163.11174	4.7
165.09097	4.6
165.12758	3.1
167.10645	2.8
171.11656	2.0
171.14209	1.5
178.13144	1.6
179.14334	3.0
181.04915	1.9
181.12241	7.3
182.74228	1.3
189.12761	11.9
207.13809	29.9
207.15604	2.5
209.15346	1.9
214.39796	1.5
225.11400	1.9
225.14902	19.0
225.17084	2.3
226.84396	1.4
229.60869	1.4
249.14914	4.2
329.15753	2.5
369.19046	1.8
387.14194	100.0
387.19846	26.5
387.23828	2.6
388.09860	1.6
388.14508	4.5
388.20795	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	387.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
60.80856	0.5
66.13615	0.4
67.05524	0.8
69.03432	1.2
71.04997	0.5
74.02493	0.5
79.05501	0.8
81.07072	1.0
83.08656	0.5
85.02892	2.6
86.09689	0.6
91.05508	1.1
93.07050	0.6
95.05003	1.0
95.08615	0.8
97.02883	1.3
98.23087	4.4
99.04484	0.8
105.07032	1.2
106.36208	0.5
107.08599	0.9
109.02890	0.6
109.06547	0.7
109.10170	4.2
119.08562	2.5
121.10105	2.2
123.08115	1.4
127.03978	0.6
133.10144	1.2
137.09665	0.7
143.08614	0.6
145.05130	0.5
145.10161	0.5
147.08101	1.3
149.09683	0.5
151.07591	1.7
155.10661	0.5
161.09657	1.8
163.03757	0.4
163.11208	2.0
165.09148	1.1
167.07132	0.5
171.11723	0.5
179.03476	0.6
179.10718	1.5
179.14322	0.7
185.04201	1.0
189.09143	0.9
189.12805	1.1
195.04732	0.5
203.05284	2.7
207.10101	1.4
207.13795	3.9
225.07727	4.4
225.10980	49.1
225.14833	1.8
226.11269	2.0
272.90732	0.5
325.16437	1.0
369.15378	1.2
387.16299	100.0
388.16626	8.0
388.21323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23775	1.1
53.63684	1.0
55.05511	2.1
57.07076	2.0
61.01378	1.2
63.82943	1.0
67.05505	4.3
68.49244	1.2
69.03408	1.5
69.07075	1.0
69.56019	1.2
69.56343	4.4
69.83548	1.0
71.04988	1.5
77.60617	0.9
79.05484	3.3
79.99825	1.1
81.03443	1.1
81.07060	20.0
85.02908	70.2
85.44408	1.1
85.64338	0.9
85.81292	1.0
86.03223	1.1
87.61109	1.0
91.05492	4.6
93.07060	2.3
95.08583	5.7
97.02860	1.3
98.23466	2.3
99.05114	1.0
105.07052	7.7
107.08591	4.7
109.06541	3.4
109.10157	9.5
117.07043	1.4
119.08590	9.4
121.06484	1.5
121.10151	8.9
123.08096	1.8
123.11708	74.5
125.05977	6.8
131.08562	1.6
133.10207	1.3
137.09625	1.8
142.35638	1.2
145.10065	3.0
147.08038	1.8
147.11696	10.5
149.09592	6.2
151.07553	2.0
156.09442	2.4
161.09625	1.7
161.13220	2.5
171.11693	1.7
189.12747	14.9
190.13097	3.1
196.56296	1.1
203.05344	3.3
207.10025	1.3
207.13806	41.9
208.14145	2.1
213.66927	1.2
215.55733	1.0
220.47453	1.2
225.11000	35.3
225.14507	5.2
234.28488	1.1
320.46219	1.2
329.12177	2.3
343.17209	5.1
385.59744	1.1
387.16220	100.0
388.16592	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	387.2019
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	5.2
55.05511	6.3
57.03432	11.3
60.98092	3.7
61.02910	4.9
65.90334	2.9
67.05502	13.1
69.03438	17.4
69.07064	10.2
69.38850	12.9
71.05003	9.5
73.67449	3.5
79.05514	16.4
80.05802	4.9
81.03451	4.0
81.07059	16.0
83.04966	4.2
83.08616	4.7
83.18026	2.9
85.02916	54.5
85.06564	19.7
86.03261	8.3
86.06880	4.5
91.05489	13.5
93.07061	25.1
95.04979	12.8
95.08610	16.4
97.02905	16.1
97.06523	5.3
98.22757	5.9
98.23390	7.5
99.04463	9.3
105.03411	5.1
105.07035	33.7
107.08611	15.5
109.02874	5.3
109.06539	27.0
109.10163	27.8
119.08587	32.0
121.06564	3.8
121.10157	100.0
123.04423	35.9
123.08086	20.8
123.11678	5.8
124.04762	16.9
125.09660	6.9
127.03917	12.2
129.07007	5.5
131.08589	21.9
133.06497	3.8
133.10153	41.8
135.08072	9.9
135.11681	5.6
137.09599	14.2
139.98421	3.6
145.04953	22.2
145.10127	11.5
146.05316	3.7
146.86169	3.8
147.08070	5.5
147.11710	34.2
149.09625	43.6
149.13293	3.7
150.09970	3.7
151.07535	16.5
151.11177	4.3
156.09352	5.8
158.10857	3.5
161.13287	60.6
163.11188	9.4
165.09081	5.6
165.12715	8.3
171.11752	9.6
173.13254	26.0
177.12625	4.7
179.14354	13.6
189.12764	61.0
191.14317	35.0
207.11903	2.9
207.13818	72.8
209.15382	16.3
225.14960	22.5
236.02585	3.7
249.14853	4.4
284.18021	3.5
333.24243	4.7
387.19907	7.1
388.20892	12.9
388.25558	33.3
395.24649	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	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
51.04789	3.7
51.71177	3.7
54.90470	3.8
55.05510	22.3
61.02922	6.2
67.05501	8.2
67.29971	4.0
67.31722	4.2
69.03433	18.3
69.16028	26.1
71.05012	21.0
79.05498	12.0
79.67114	3.8
81.03425	8.3
81.07065	8.9
83.04975	12.6
83.08635	29.0
85.02902	37.6
85.06536	4.9
86.09715	4.3
87.04470	7.2
91.05496	15.7
92.76796	3.9
93.07054	10.8
95.04977	54.7
95.08625	12.4
97.02923	14.4
97.06599	4.2
98.22836	15.1
98.23532	8.7
99.04458	60.0
99.05073	5.2
105.07043	11.8
107.08602	96.1
109.02926	8.1
109.06509	27.8
109.10167	15.3
111.04424	20.8
111.08139	6.0
113.06049	11.4
119.08604	10.3
121.10173	16.7
123.08076	98.4
123.11715	16.5
125.06001	7.9
125.09630	46.4
127.03917	8.8
131.08586	5.8
133.10159	6.5
135.08078	9.1
135.11800	4.8
137.06075	5.3
137.09618	31.6
147.08098	5.0
147.11656	5.8
149.09602	37.8
151.07600	10.6
159.11690	7.7
161.09685	4.3
165.09140	13.1
165.12769	14.4
167.10677	29.0
177.12761	6.4
179.10558	8.7
180.17551	4.4
183.13829	18.5
183.51529	3.8
187.06204	6.1
189.12753	8.1
191.10727	10.4
191.14401	8.5
195.13843	11.3
201.12825	4.2
203.10568	5.1
204.13860	8.2
207.13885	15.9
208.17004	13.5
209.15419	7.5
219.13817	7.9
223.13405	7.8
225.14854	100.0
226.17984	46.2
235.13435	10.7
237.14838	32.1
249.14902	32.6
261.14886	8.2
264.73758	4.0
267.15878	4.8
279.16180	4.6
279.74509	4.0
291.15936	18.3
296.35590	4.5
310.60895	4.4
333.17068	9.2
351.18021	17.1
387.19763	22.5
388.21167	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2018
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03931	1.3
55.01881	2.1
55.05510	4.7
57.03439	4.2
57.07087	8.0
59.04996	2.2
59.82888	1.1
61.02919	4.8
65.46219	1.0
67.05511	15.9
69.03432	14.9
69.07067	5.1
70.27920	1.3
70.90728	1.0
71.05000	4.7
72.08127	1.5
73.02915	2.0
76.35931	1.2
79.05508	6.0
81.03426	6.7
81.07062	13.9
83.01360	1.2
83.05000	3.0
83.08615	4.2
85.02912	35.8
85.06551	13.0
87.04510	1.8
91.03944	1.4
91.05468	7.5
91.96878	1.1
93.07030	9.1
95.04978	10.2
95.08611	14.6
97.02902	14.9
97.06548	4.0
98.22695	1.0
99.04473	9.7
99.08070	5.4
105.07047	13.9
107.04951	1.3
107.08602	21.3
109.02883	4.2
109.06539	10.5
109.10162	100.0
110.10497	1.8
111.04475	2.7
111.08102	3.4
113.06007	8.5
113.09648	2.3
117.07037	1.9
119.08595	24.8
119.09418	1.6
120.09445	1.1
121.06503	1.4
121.10154	56.8
122.10482	1.5
123.04436	2.4
123.08076	35.4
123.11731	4.8
124.08405	1.3
125.06033	3.6
125.09624	6.4
127.03935	5.1
127.07555	5.6
128.06285	1.1
131.08580	5.6
133.06519	2.4
133.07593	1.1
133.10164	5.6
135.08092	3.2
135.11703	2.8
137.06052	1.5
137.09653	4.7
137.13289	5.2
139.11165	2.3
143.08572	2.6
145.04977	4.3
145.10138	4.6
147.08063	6.0
147.11676	5.9
149.09631	16.1
150.23534	1.4
151.07555	26.0
156.09425	2.9
161.09662	4.1
161.13268	18.3
163.03893	1.3
163.11192	21.6
165.09178	2.5
165.12769	9.5
167.10712	7.0
171.11633	5.9
179.03441	2.4
179.10828	2.6
179.14313	27.4
180.14658	1.2
181.12340	2.2
183.13751	1.9
189.09148	1.9
189.12755	20.7
190.12991	1.3
207.10408	3.4
207.13812	93.7
208.14255	4.0
225.07440	3.4
225.11133	4.7
225.14862	53.5
226.15190	1.3
249.14870	6.1
291.15936	2.3
351.18097	2.9
369.19513	1.3
387.16302	49.1
388.16217	4.7
388.21072	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	387.2018
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05505	1.5
57.07073	2.1
62.21847	0.9
67.05507	3.5
67.26643	1.0
69.03417	2.0
69.45329	1.9
69.45721	2.4
79.05511	2.3
81.07064	14.7
85.02916	62.2
86.03241	1.3
91.05490	3.3
93.07056	2.4
93.20901	0.9
95.08605	4.7
103.05511	1.2
105.07042	6.2
107.08613	3.4
109.06554	1.9
109.10176	8.7
119.08624	7.4
121.10167	5.7
123.08110	1.7
123.11720	66.9
124.12059	1.2
125.06012	3.2
131.08588	2.0
133.10159	1.3
137.09645	2.7
145.10175	2.9
147.08113	1.6
147.11725	11.7
149.09621	5.0
151.07497	1.0
156.09352	1.2
161.13301	2.6
163.11220	1.3
165.12837	2.2
174.10439	1.0
189.12759	14.9
190.13023	2.2
203.05344	2.8
207.04990	1.1
207.13821	41.5
208.14139	2.8
218.90256	1.0
225.11026	23.8
225.14603	5.3
241.27626	0.9
273.09348	1.0
329.11859	2.3
343.17392	3.0
387.16281	100.0
388.16666	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	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.1
55.25683	3.1
57.07076	3.9
63.06313	2.7
64.24351	2.7
67.05488	28.9
69.03426	5.6
69.07077	6.5
69.36958	16.2
77.03951	2.9
83.04984	4.4
85.02939	4.8
85.06532	8.6
88.42580	3.1
91.05495	5.8
93.07020	10.0
95.08017	7.2
95.08605	100.0
98.22739	7.3
105.07026	9.4
107.08618	10.1
109.28594	3.4
113.06004	9.3
119.08602	18.9
121.10159	10.4
122.19457	3.4
122.93356	3.3
123.08084	30.5
135.11684	15.0
137.13170	3.2
147.11697	10.9
149.09607	35.3
149.25883	3.0
151.07489	5.0
161.09615	4.4
161.13261	12.9
163.11157	8.4
165.12787	5.7
189.12782	20.3
207.13776	53.3
207.15565	4.5
207.79718	3.5
227.22212	4.1
387.16235	53.2
388.16437	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	387.201
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01876	1.3
55.05497	2.8
57.03429	1.4
57.07067	3.6
59.04994	2.5
59.75056	0.7
61.02921	1.6
64.21709	0.7
67.05500	3.3
68.52603	0.8
69.03429	6.1
69.07076	2.6
69.21256	3.5
69.21665	1.8
69.85692	0.8
71.01344	1.0
71.04991	5.7
79.05506	4.2
81.03414	1.5
81.07051	9.2
82.47178	0.8
83.04972	8.0
83.08611	5.0
85.02911	14.4
85.06538	4.1
91.05466	1.5
93.07047	3.7
95.04962	3.4
95.08597	8.8
96.01382	0.9
96.91879	0.9
97.02898	5.3
97.06536	29.5
99.04427	2.4
99.08085	9.0
100.13099	0.8
104.92745	0.8
105.07052	4.1
107.04925	1.4
107.08607	2.6
108.25958	0.8
109.02889	1.7
109.06527	13.2
109.10146	4.1
111.04459	1.1
111.08073	3.4
119.08569	4.6
121.06511	1.3
121.10145	21.8
123.08069	100.0
123.11740	2.8
124.08413	2.7
125.05997	30.4
125.09620	1.1
127.03926	2.9
127.07569	5.5
127.08405	0.8
129.09119	2.1
131.08553	1.2
133.06529	1.1
133.10117	1.3
135.11691	7.6
137.09615	4.4
137.13248	20.5
139.11140	1.4
145.04977	2.8
145.10149	1.1
147.08054	2.1
147.11734	1.9
149.09634	3.7
151.07568	7.0
152.34061	0.8
155.10616	4.5
161.09607	2.1
161.13235	3.0
163.11156	1.9
165.09114	2.1
165.12733	1.3
169.08633	1.1
179.14311	47.3
180.14700	1.3
189.12779	5.3
207.13795	25.5
225.14844	40.4
229.81726	0.9
278.20703	0.9
365.47971	1.0
387.15475	3.5
387.19891	54.1
388.20428	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	387.2019
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03965	0.6
55.01870	0.7
55.05513	1.0
55.28956	0.3
57.03453	0.9
61.02926	1.1
65.87597	0.3
67.05504	2.1
69.03440	3.3
69.07070	0.7
70.72006	0.7
71.04988	0.8
72.09741	0.4
73.02923	0.5
79.05499	1.5
81.03413	1.5
81.07059	1.6
83.04977	4.3
85.02914	8.8
85.06527	0.4
91.05487	1.2
93.07053	1.9
94.94948	0.4
95.04974	1.5
95.08618	4.2
97.02894	2.9
97.06533	1.8
98.23273	0.7
99.08105	1.5
103.82553	0.4
105.07040	2.6
107.08610	2.2
109.02906	1.2
109.06525	4.8
109.10158	1.4
110.25932	0.3
110.43723	0.4
111.04447	1.9
111.08064	0.5
119.08580	1.9
121.06511	1.4
121.10152	4.7
123.08076	100.0
124.08414	3.0
125.09654	0.7
127.03928	1.2
127.07552	0.5
133.10141	1.3
135.07997	0.4
135.11705	0.9
137.09616	1.2
137.13231	0.5
139.07584	0.5
143.08644	0.4
145.04967	1.1
145.10181	1.5
147.08070	0.5
147.11699	0.8
149.09659	4.4
151.07591	0.7
151.11192	4.7
161.13284	1.0
162.17874	0.4
163.11192	3.7
165.12810	0.9
167.10672	4.1
171.11687	0.7
181.12238	4.5
189.12785	1.9
202.70361	0.4
207.13824	6.8
208.14217	0.6
225.12656	0.7
225.14864	13.2
355.09152	0.6
381.43069	0.4
387.19928	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.06556	1.9
55.01868	3.2
55.05505	2.8
59.05008	10.4
60.70930	1.7
67.05498	7.1
69.03431	8.8
69.35819	4.7
69.36224	5.5
71.04986	2.4
79.05505	5.0
81.03404	3.3
81.07046	6.2
83.05008	2.4
85.02925	13.7
91.05483	8.5
93.07042	9.5
95.04976	6.5
95.08633	5.4
97.02911	3.1
100.89129	2.4
101.06030	2.8
105.07037	18.1
107.08597	30.2
108.36062	1.9
109.06497	13.3
109.10175	11.0
113.67187	2.0
115.07500	2.1
119.08572	14.1
120.26436	2.1
121.10143	5.5
122.07285	2.1
123.08064	19.4
127.03901	3.4
133.06537	3.0
133.10138	6.5
135.08070	6.3
135.11703	17.2
137.09619	100.0
138.09897	3.2
145.04912	3.1
147.11691	8.9
149.09669	10.5
151.03922	2.6
151.07492	4.1
153.09113	5.5
161.09628	5.4
161.13284	15.8
163.11122	3.3
165.09135	3.9
171.11755	4.4
179.14320	4.1
189.12744	15.6
207.10242	2.9
207.13776	20.5
216.87260	2.0
225.11238	3.0
225.14915	6.8
270.53714	2.3
387.03204	2.4
387.14410	27.4
387.20090	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96684	0.6
55.01868	0.7
57.07063	1.2
61.15006	0.9
67.05503	0.6
69.03412	1.3
69.07058	3.1
69.80135	1.8
79.05477	1.5
81.03442	0.9
81.06618	0.9
81.07054	8.9
82.86864	0.7
83.08587	1.3
85.02885	1.3
85.06535	1.2
89.64621	0.6
91.05493	1.7
93.07043	4.8
95.04985	0.8
95.08591	2.3
95.66499	0.6
96.11965	0.6
97.02883	0.6
97.06522	2.7
97.54929	0.6
97.79732	0.6
105.07030	2.8
107.08599	6.1
109.06512	2.0
109.10149	2.3
119.08518	1.1
121.10145	8.5
123.08060	6.2
123.11707	37.5
124.12060	1.0
125.47062	0.7
131.08583	2.8
132.08955	0.8
133.10129	15.8
135.08057	3.3
135.11688	2.6
145.10115	0.9
149.13304	0.9
154.52257	0.6
154.81274	0.6
158.10849	1.2
163.14828	3.6
173.13257	8.4
191.14308	100.0
192.14661	4.1
204.13823	0.8
209.15393	1.0
249.25620	0.6
268.40128	0.7
344.86917	0.6
349.78809	0.8
388.21167	1.3
408.45911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.5
57.07085	1.4
67.05509	3.7
69.03439	1.5
69.07047	7.2
69.41151	4.3
71.04987	10.4
79.05499	4.8
81.07062	11.0
83.08617	2.3
84.08961	0.9
85.02907	4.2
85.06538	7.6
89.87431	0.9
91.05471	8.4
93.07043	14.1
95.04974	2.0
95.08607	10.5
97.06528	12.2
105.07018	13.2
107.08588	26.9
109.06508	12.3
109.10143	5.4
111.08084	3.9
113.22430	1.0
117.07005	2.3
119.08568	9.5
121.10143	28.0
123.08067	3.2
123.11690	1.2
131.08565	11.3
133.10124	73.8
134.10455	2.1
135.08047	14.3
135.11652	4.9
137.61337	1.0
143.08549	1.3
145.10115	3.7
147.11697	16.0
149.09610	1.1
149.13245	11.6
158.10950	4.1
163.11171	1.5
163.14812	49.9
164.15170	1.8
173.13257	26.5
180.43846	1.0
191.14299	100.0
192.14607	5.5
204.13847	3.6
209.15430	3.4
281.68039	1.0
388.21115	7.2
388.63513	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83537	1.8
59.04984	1.9
67.05520	3.6
71.05003	2.9
79.05503	4.0
81.07043	3.6
85.02910	9.4
91.05492	5.3
93.07047	5.8
95.04978	5.9
97.06560	3.3
98.22675	6.6
105.07023	13.0
107.08599	7.2
109.06532	63.0
109.10181	14.2
117.06963	2.2
119.08595	3.6
121.10163	3.6
123.08080	5.3
131.08574	23.1
133.10136	64.8
134.10461	2.0
135.08067	23.1
143.08549	2.2
145.10132	7.4
147.11748	5.7
149.09595	2.2
158.10889	3.8
173.13264	44.8
174.13702	3.3
191.14326	100.0
192.14673	3.9
209.15390	37.3
212.60820	2.0
239.25983	1.9
280.78113	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	388.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49214	3.6
62.09021	3.8
66.36943	3.7
67.05497	6.9
69.03445	10.7
69.07070	4.0
71.04987	7.7
71.44345	4.7
72.41689	4.1
73.60742	4.2
79.05511	10.3
81.07053	22.4
83.05005	5.5
85.02908	19.0
85.06533	7.7
93.07051	7.6
95.08612	12.2
97.02918	8.4
97.06544	6.2
105.07032	15.3
107.08607	38.4
109.05851	7.7
109.06537	100.0
109.10173	31.5
110.06881	5.2
111.08107	5.7
119.08590	6.1
121.10170	19.2
123.08079	39.9
124.08427	16.1
131.08603	18.9
133.10109	16.4
135.08064	40.9
137.09628	4.5
139.11176	5.6
145.05002	4.2
145.10150	4.4
145.90337	4.3
149.09605	7.1
149.13101	3.7
150.09924	4.9
151.32053	4.2
152.07950	5.8
153.09105	6.1
158.10918	5.6
163.11176	5.8
165.12750	6.2
166.13094	5.3
173.13271	17.0
179.14288	20.7
189.12784	6.2
190.13147	14.8
191.10661	4.7
191.14326	78.9
204.13794	9.6
207.13852	11.3
208.14201	20.8
209.15385	61.8
226.15170	7.0
329.11191	8.2
357.10886	5.2
388.21118	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43840	1.6
67.05500	2.9
70.09507	1.5
70.82926	2.5
71.04991	17.1
79.05489	4.2
81.07063	5.1
83.08614	2.9
85.06536	7.6
91.05493	4.7
93.07040	9.9
95.04977	2.3
95.08624	9.9
97.06532	16.2
98.91929	1.6
105.07038	12.7
107.08599	18.1
109.06486	10.1
109.10192	2.8
111.08073	5.8
119.08614	8.6
121.10151	31.6
123.08060	5.7
131.08571	10.6
133.10135	95.4
134.10477	3.5
135.08075	16.3
145.10141	4.8
147.11678	19.6
149.13268	16.0
150.13692	2.3
151.09314	1.8
158.10907	4.6
173.13261	25.5
191.14311	100.0
192.14636	4.0
195.07593	1.7
204.13890	3.6
209.15450	4.3
388.21234	10.0
389.15723	3.3
401.61673	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	389.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
69.28027	3.5
69.54897	0.6
72.91648	0.6
81.07056	1.2
91.93233	0.6
94.06566	0.7
95.04977	0.7
95.08609	1.2
102.16946	0.7
105.07045	0.9
107.08581	0.9
108.08120	0.8
109.10173	0.8
121.10155	1.2
133.10124	8.6
134.10458	6.5
144.07979	1.1
145.04950	0.8
146.06053	1.2
147.11719	0.7
162.05449	0.8
167.07335	0.9
168.08122	1.3
169.08899	1.1
170.08411	1.4
183.09203	0.9
184.09875	1.0
185.07079	1.3
185.10782	2.6
186.09251	0.8
194.08429	0.9
195.09138	1.8
196.09900	1.1
198.07799	3.5
199.08656	16.4
199.12340	1.9
200.09244	1.2
209.10745	2.7
209.15326	0.8
210.09180	1.5
211.08763	1.8
212.09366	5.8
213.06711	4.6
213.10204	14.9
213.12259	0.9
214.07379	2.0
214.10803	1.3
215.08067	1.6
223.08711	0.8
225.10213	1.3
226.07379	3.0
226.11008	1.0
227.08163	18.9
227.11725	9.9
228.08653	3.8
228.12244	0.8
229.09683	3.6
237.10258	2.9
238.08630	1.3
239.08208	1.5
239.11810	2.0
240.08792	7.6
241.06113	9.7
241.09694	39.4
242.10208	2.6
243.07555	1.3
243.11276	2.3
245.12830	7.6
251.08102	0.9
253.09801	1.9
254.10468	1.0
255.07722	4.0
255.11261	39.0
256.08701	1.3
256.11716	2.6
257.09195	7.0
257.12701	0.9
259.10776	2.7
265.09769	3.1
267.11334	2.0
268.08466	2.0
269.09216	14.9
270.09894	2.7
271.10760	1.3
272.11450	1.0
273.12366	6.2
283.07489	2.2
283.10742	49.5
284.11163	2.8
285.12180	0.9
287.10065	1.0
295.10773	6.7
297.08704	1.9
300.11005	2.4
301.08411	1.5
301.11801	4.9
311.10242	24.4
312.10547	2.0
313.11813	8.8
329.11292	100.0
330.11560	7.2
339.09631	6.6
357.10776	70.6
358.11090	7.4
371.12204	2.3
375.56351	0.7
389.13385	26.5
389.21448	1.6
390.13785	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	389.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.9
55.01875	10.2
55.05511	7.8
57.03449	6.5
57.07076	3.0
61.01590	1.8
61.02946	2.6
67.05508	13.4
67.15714	1.7
69.03441	24.0
69.07066	13.4
69.38734	6.6
71.05000	27.0
76.86084	1.3
77.03952	1.7
79.05506	18.2
81.03419	11.6
81.07063	32.4
83.05003	3.8
83.08605	2.4
85.02914	22.6
85.06553	19.9
91.05478	14.1
93.07056	54.6
95.04984	9.0
95.08624	13.3
97.02926	13.5
97.06546	20.4
99.04465	82.7
99.08067	1.7
105.07040	36.6
107.04942	1.9
107.08604	74.6
108.08932	3.0
109.02932	5.4
109.06535	13.8
109.10164	8.0
111.08092	10.0
111.11728	2.9
113.06030	8.6
113.09673	2.4
117.07063	5.6
119.08601	14.9
121.06520	21.0
121.10159	58.9
123.08083	13.0
123.11723	6.6
125.09677	4.9
127.03932	12.4
127.07574	4.9
131.08585	5.6
132.04428	2.3
133.06548	2.6
133.10165	8.2
135.08060	11.4
135.11707	18.7
137.05991	4.3
137.09648	2.2
139.11200	5.7
141.12852	1.4
143.08606	1.9
145.04971	2.3
145.10146	33.3
146.10463	2.2
147.11732	10.7
147.12700	1.7
149.09650	18.3
149.13306	4.3
150.81290	1.6
151.07565	5.9
151.11209	7.8
153.09109	4.3
153.12820	1.6
160.03943	2.0
163.11201	100.0
164.11578	3.2
165.12767	3.6
167.10675	39.7
167.11995	2.4
168.11047	1.9
169.07185	3.5
169.08626	70.2
169.12302	6.6
173.09703	8.7
173.13272	4.5
181.12282	42.7
182.06444	1.5
182.12630	3.2
183.13808	19.7
185.11740	18.8
188.03407	15.5
191.10686	74.4
191.12451	3.8
191.14331	6.8
192.11098	3.8
206.04567	6.1
209.11755	45.8
209.15306	15.4
210.12100	3.6
227.12836	83.7
227.16383	61.1
228.13116	3.9
228.16818	2.9
276.44113	2.0
284.09775	1.8
315.09839	2.0
329.11209	1.9
339.09598	2.8
353.15988	5.5
357.10876	13.2
371.16910	3.0
389.21555	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	389.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01875	9.3
55.05503	6.8
56.71368	1.1
57.03440	5.2
61.02926	3.0
61.58928	1.0
67.05511	9.5
69.03436	23.6
69.07081	11.4
69.19022	5.5
71.04996	16.9
73.02934	1.1
77.03938	1.6
79.05504	17.7
81.03423	4.4
81.07067	29.2
83.04972	3.4
83.08620	1.3
85.02901	10.3
85.06553	10.4
91.05482	12.2
93.07053	52.1
94.07387	1.8
95.04994	7.4
95.08613	10.3
97.02909	6.8
97.06535	14.6
98.23264	4.3
99.04465	41.0
105.07045	35.4
107.04995	1.5
107.08605	64.1
108.08935	1.9
109.02916	2.7
109.06535	16.4
109.10159	2.9
111.08082	8.5
112.30214	1.1
113.06022	4.1
117.07025	5.2
119.08602	14.0
121.06508	19.5
121.10154	46.7
122.10497	1.9
123.08095	10.4
123.11716	3.9
124.68140	1.1
125.09629	1.7
127.03915	10.8
127.07574	7.0
130.07780	3.7
131.08568	5.0
133.06409	1.8
133.10129	3.5
135.08054	7.2
135.11707	16.0
139.07523	2.2
139.11223	6.7
139.33215	1.0
143.08540	2.0
145.04959	2.4
145.10126	37.4
146.10484	1.9
147.08131	1.1
147.11717	6.5
149.09625	19.1
149.13257	1.3
151.07510	5.5
151.11205	1.2
153.12717	1.2
163.11198	100.0
164.11536	3.8
165.12721	1.1
167.10696	36.9
168.11110	1.3
169.08620	55.7
169.12282	2.8
170.08969	1.5
173.09634	8.9
173.19757	1.0
181.12251	32.5
181.13805	2.1
182.12628	1.2
183.13857	7.0
185.11763	9.0
191.10686	65.7
191.14326	1.9
192.10986	2.8
195.47795	1.1
209.11742	38.1
209.15340	3.6
210.12129	2.3
227.12811	55.9
227.16309	17.6
228.13185	1.1
230.68452	1.2
353.15942	2.4
371.17038	2.4
389.21353	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	389.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.7
55.05519	3.8
57.03429	3.8
57.07067	2.1
61.02940	1.4
61.46323	1.6
65.26788	1.7
67.05514	5.3
69.03431	18.4
69.07069	13.4
69.51151	6.2
71.04994	4.6
79.05499	15.1
81.03430	5.9
81.07056	18.7
83.04993	3.6
85.02914	6.6
85.06548	5.8
91.05468	7.8
93.07050	39.0
93.07608	2.8
93.44528	1.6
95.04990	6.5
95.08602	14.8
97.02909	3.8
97.06527	15.2
99.04446	11.5
105.07024	27.8
107.08592	53.8
109.02903	2.9
109.06523	14.3
111.08076	3.4
113.06004	4.2
117.06998	3.1
119.08606	7.6
121.06517	12.1
121.10147	28.0
121.92425	1.4
123.08087	6.5
127.03909	8.3
127.07584	4.3
131.08604	3.7
133.10147	1.8
135.08064	3.9
135.11687	12.9
139.07634	1.5
139.11212	3.6
145.10120	22.5
146.10440	1.7
147.11742	5.5
149.09653	15.8
151.07561	8.4
163.09804	1.6
163.10132	1.1
163.11182	60.6
167.10686	30.9
169.08603	100.0
170.08975	4.1
173.09657	4.4
181.12206	25.9
185.11751	8.5
191.10670	36.4
192.11107	2.2
209.11736	22.7
210.12091	2.0
227.12769	66.2
228.13063	2.3
240.88771	1.7
284.03018	1.7
311.10028	1.7
327.17841	3.2
343.17322	3.3
389.13550	2.3
389.17758	35.7
389.22418	2.5
390.18048	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	389.1808
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03942	2.6
55.01871	9.5
55.05508	4.7
56.81153	1.3
56.84341	1.3
57.03436	5.8
57.21519	1.2
60.30142	1.3
61.02933	2.2
65.03929	1.8
67.05507	10.3
69.03435	20.5
69.07065	14.4
69.19460	8.0
71.04994	17.5
73.77421	1.2
79.05491	20.7
80.49666	1.2
81.03420	6.1
81.07061	32.7
81.07505	2.7
83.04987	3.5
85.02914	13.0
85.06550	10.0
89.17235	1.2
91.05497	7.5
93.07051	50.6
95.04952	6.4
95.08606	11.5
97.02895	8.7
97.06544	14.3
99.04459	41.3
99.05078	2.8
101.05996	1.7
105.04489	1.6
105.07036	38.4
106.98144	1.4
107.04987	2.7
107.08596	66.3
109.02886	1.8
109.06535	14.0
109.10143	4.5
111.08096	7.6
111.11758	1.9
113.06023	4.6
113.09696	2.6
115.05454	1.4
117.07048	5.6
119.08611	13.1
121.06501	19.4
121.07318	1.8
121.10146	52.4
122.10484	2.0
123.08040	7.5
123.11696	2.7
125.05997	1.4
127.03903	12.2
127.07578	6.0
130.07822	2.0
131.08574	3.7
133.10143	4.1
135.08058	8.9
135.11714	15.5
137.09622	3.0
139.07504	3.2
139.11195	4.5
145.04959	1.8
145.10129	38.9
147.08060	2.2
147.11688	6.8
149.06004	3.9
149.09644	18.0
149.13274	1.4
151.07573	4.0
153.12761	1.9
163.11186	100.0
164.11610	3.0
165.12755	2.2
167.10681	34.6
169.08617	43.5
169.10014	2.8
169.12375	2.7
173.09639	8.6
173.13293	2.1
181.12247	31.6
183.13824	8.1
185.11754	9.8
191.10678	69.8
191.14317	2.4
192.11047	2.4
209.11732	37.3
209.15398	3.9
227.12791	57.8
227.16315	19.1
228.13124	2.1
301.87241	1.5
353.15771	2.1
371.17072	2.2
389.21429	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	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03930	2.8
55.01863	6.6
55.05505	6.9
57.03442	8.4
57.07060	2.2
57.60114	1.4
59.05002	1.6
61.02924	2.4
67.05502	12.0
69.03427	16.1
69.07063	11.8
69.48565	2.1
69.48961	3.1
71.04990	34.4
73.02901	1.6
79.05483	14.5
81.03416	8.2
81.07053	26.5
83.04977	4.3
83.08620	2.8
85.02901	24.8
85.06539	15.2
91.05473	9.6
93.07042	36.1
94.07391	1.6
95.04955	8.8
95.08590	10.1
97.02886	9.1
97.06528	10.2
99.04452	100.0
100.04770	1.7
105.07022	24.9
107.08591	50.8
109.02877	5.1
109.06494	10.7
109.10141	9.8
109.60715	1.3
111.08076	5.9
113.05979	5.0
113.09628	4.8
115.07565	1.5
117.06959	2.2
119.08580	11.4
119.50864	1.4
121.06488	12.9
121.10140	42.9
122.10442	1.4
123.08057	18.0
123.11687	11.6
125.09621	5.5
127.03880	6.8
127.07560	2.0
131.08585	4.6
132.04475	1.6
133.10141	16.6
133.11060	2.6
135.08076	8.1
135.11693	10.4
137.05936	2.1
137.09602	3.0
139.11159	7.2
141.12747	1.6
145.04907	3.2
145.10133	22.4
147.11696	9.4
149.09599	13.9
149.13232	8.7
151.07526	3.2
151.11162	18.2
153.09088	2.9
161.13208	2.1
163.11177	56.0
164.11543	1.6
165.12743	4.4
167.10655	21.3
168.10950	2.3
169.08583	28.9
169.12225	11.0
173.09615	3.9
173.13242	6.3
181.12241	26.3
183.13808	27.5
185.11662	7.4
188.03419	6.4
191.10666	36.5
191.14293	7.6
192.10938	2.2
197.15410	1.5
206.04372	3.5
209.11731	24.8
209.15297	19.9
210.11995	1.8
227.12833	46.4
227.16383	81.7
228.13153	1.9
228.16711	4.7
318.01498	1.5
321.05423	1.6
353.15933	2.9
357.10727	2.6
389.13336	2.9
389.21353	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.33863	1.7
52.29722	1.6
55.05506	9.3
57.03439	3.9
57.07063	3.9
59.04992	2.9
61.02937	2.3
67.05511	6.7
67.46001	1.6
69.03427	6.5
69.07067	14.0
70.92256	1.6
71.04987	9.5
71.46275	1.5
79.05495	11.9
81.03424	4.4
81.07054	19.0
81.07451	2.1
83.04991	6.9
83.08633	4.1
85.02905	19.7
85.06557	6.4
91.05488	16.1
92.44496	1.6
93.07046	37.7
93.07597	2.4
95.04967	98.4
95.08610	13.8
97.02913	6.8
97.06530	39.4
99.04452	22.1
99.04985	2.2
99.08094	4.1
105.07028	21.4
107.04951	2.9
107.08590	39.5
107.27470	1.6
109.06513	45.8
109.07207	2.6
109.10149	14.5
111.08118	3.2
113.06020	2.4
113.09676	2.6
115.07565	53.2
119.08589	16.9
121.10144	100.0
122.10487	4.3
123.08070	3.1
123.11750	3.5
125.09684	2.9
127.03944	1.8
127.07559	2.3
131.08563	11.1
133.06540	1.7
133.10130	49.7
134.86087	1.8
135.08052	8.1
135.11728	5.3
139.11159	2.2
145.04939	2.7
145.10162	5.1
147.08112	2.3
147.11688	29.1
147.12729	2.8
149.09647	2.0
149.13298	5.5
151.11212	6.5
153.09108	38.4
153.10243	2.5
158.10973	3.4
163.14822	25.4
165.12807	3.8
167.14322	2.7
171.10229	4.2
173.13252	27.2
175.07588	2.5
191.14307	43.7
191.15918	2.9
192.14742	3.2
209.15364	95.3
210.15836	6.5
211.09685	2.1
227.12766	5.7
227.16414	45.8
227.18552	2.6
240.05559	1.9
243.58833	1.7
389.17896	76.0
390.18295	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	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
52.74031	1.5
53.03951	2.6
53.50183	1.4
55.01863	3.8
55.05503	3.0
56.20395	1.4
57.03428	4.6
57.07059	1.5
59.05004	1.9
61.02934	2.6
66.08485	1.5
67.05503	7.8
69.03428	12.0
69.07052	8.2
71.04993	28.4
73.02930	2.0
75.04456	2.0
79.05486	6.5
79.70341	1.4
81.03408	6.4
81.07047	17.0
81.40903	1.4
83.04982	3.1
83.08613	2.8
85.02899	23.1
85.06541	15.4
91.05476	5.0
93.07040	24.2
95.04967	5.5
95.08601	13.5
97.02894	8.2
97.06526	6.9
99.04456	100.0
99.08107	1.5
105.07018	16.5
106.07363	1.8
107.08588	37.4
109.02869	7.6
109.06526	12.1
109.10163	9.8
111.08087	4.2
113.05956	2.3
113.09696	1.7
117.07037	1.9
119.08553	9.1
121.06522	7.6
121.10150	26.2
123.08066	13.1
123.11705	13.9
125.09622	5.0
127.03910	7.7
127.07585	2.4
131.08548	4.9
133.10124	17.0
135.08058	4.9
135.11687	7.8
139.11133	7.0
145.04945	2.4
145.10120	13.5
147.11673	6.3
149.09671	7.3
149.13281	10.4
151.11185	17.2
153.09097	4.3
153.12727	3.2
154.09508	1.8
161.13219	2.7
163.11188	32.5
163.14813	2.2
164.11571	2.6
165.09125	1.8
165.12724	5.7
165.85109	1.4
167.10674	13.4
169.08604	16.3
169.12231	14.9
173.13264	9.2
179.14320	2.5
181.12238	18.6
183.13800	22.6
185.11742	3.0
191.10645	20.3
191.14281	7.8
209.11757	12.6
209.15349	24.0
211.09685	1.4
227.12930	26.5
227.16397	92.3
228.16698	5.7
357.09534	1.4
389.13153	2.9
389.17099	2.3
389.21411	25.2
390.21506	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.7
55.05510	44.5
55.05751	5.1
57.03436	6.0
59.04999	27.4
61.02929	8.7
67.65337	3.0
69.03433	32.3
69.08478	19.2
71.05003	5.5
72.08150	3.6
81.03418	25.8
83.04984	70.4
85.02907	47.5
97.02896	100.0
98.23450	6.2
99.04464	17.3
101.06032	37.7
103.03997	4.2
105.07040	4.6
109.02895	27.3
110.07158	5.6
118.06593	2.9
119.07063	16.7
127.03909	50.4
143.06976	4.6
145.04955	95.5
149.02347	3.3
156.07689	3.8
161.05969	4.4
177.05495	3.1
187.06058	5.5
193.08572	6.7
208.09584	3.1
219.06674	3.1
227.09122	15.0
245.10222	68.3
245.12674	6.2
263.11194	9.1
355.57019	3.1
390.17914	8.3
391.10107	4.7
398.19647	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	390.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06843	1.7
53.03957	5.2
55.05521	20.0
57.03446	13.3
59.05016	2.0
61.02935	5.7
62.75334	1.6
69.03436	19.5
69.51937	3.8
71.04990	2.5
73.02924	1.9
73.06565	14.9
81.03427	11.7
81.07075	2.0
83.04992	12.9
83.35657	1.6
85.02915	47.3
87.04427	1.9
91.03944	2.4
93.99484	1.7
95.08540	1.4
97.02274	2.3
97.02904	47.6
97.66529	1.4
98.23256	4.7
99.04473	6.1
101.06030	100.0
102.06396	3.2
105.07079	1.6
109.02888	8.6
119.07069	45.0
127.03931	27.6
139.12796	1.7
141.40099	1.3
145.02884	3.5
145.04968	40.8
145.06091	2.7
149.02455	1.9
153.05466	1.7
163.06053	6.0
177.05502	6.8
193.08586	1.7
197.04254	2.5
199.03758	2.9
215.05215	6.9
227.09262	1.9
245.10265	8.2
260.74417	1.7
263.11322	8.4
373.08875	1.8
375.88712	1.8
390.12701	3.3
390.18073	9.4
390.22513	1.6
391.10052	83.6
391.17294	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19028	2.0
62.05575	2.2
67.05507	3.7
67.73362	1.9
69.03450	3.8
69.07085	4.1
69.90689	2.2
69.91013	4.7
70.12495	2.0
70.50300	1.9
71.04998	4.3
79.05494	3.9
81.07059	15.2
85.02914	10.7
88.46513	2.1
91.05503	6.1
93.07060	11.3
95.08607	21.3
97.02852	3.3
98.22755	2.8
98.23308	4.8
99.08107	8.2
100.11283	2.7
105.07047	15.0
107.08592	16.1
109.10182	5.8
111.08055	2.8
113.09729	2.8
119.08591	54.5
120.08920	2.5
121.10136	4.6
123.08119	2.5
123.11721	5.9
127.04024	3.2
131.08537	2.7
133.10139	89.5
134.10512	3.5
135.11699	25.7
137.09715	2.8
147.11725	4.2
149.02356	8.7
153.12782	2.2
163.14810	17.7
167.14304	2.4
175.14833	100.0
176.15150	4.1
181.15860	2.4
192.55647	2.0
193.12230	6.9
193.15895	21.9
197.21954	2.3
198.72008	2.0
211.16953	61.0
216.13150	2.4
242.10045	2.6
258.09598	2.4
317.11172	3.3
330.11807	5.0
358.11139	5.6
373.13803	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.0
65.91132	1.8
67.05514	4.7
67.52949	1.9
67.92724	2.1
69.03440	5.3
69.07071	15.8
71.04975	3.4
79.05521	5.9
81.03412	2.2
81.07058	11.4
83.08630	6.9
85.02917	19.4
85.06536	2.3
91.05497	3.8
93.07056	13.5
95.08620	21.8
97.02917	6.0
98.23060	12.1
99.04469	8.3
105.07038	21.8
107.08616	20.1
109.02939	2.4
109.10175	14.6
116.56341	1.8
119.08594	16.7
121.10155	24.2
125.00579	3.2
127.03919	2.6
129.12616	1.9
129.93880	2.1
133.10147	12.8
135.11699	10.2
145.04982	6.5
147.11717	5.7
149.02350	5.8
149.13255	6.4
153.53065	2.0
162.44238	2.1
175.14832	97.1
176.15213	4.1
177.16405	100.0
178.16801	4.2
193.15900	6.9
228.04808	68.6
228.16772	3.1
229.05054	4.2
254.44305	2.2
285.15060	2.1
307.57819	2.0
323.74652	2.2
336.25690	2.4
390.10031	5.0
390.22345	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	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.05507	5.9
57.07074	7.2
61.21250	2.0
62.76133	2.2
69.03428	2.8
69.07058	7.5
69.40933	8.0
71.04987	9.2
75.23767	2.4
76.02255	2.5
79.05500	11.2
81.07058	15.0
83.08617	4.4
85.02893	4.3
91.05496	12.5
93.07046	25.4
95.08630	27.6
97.06481	3.2
99.08091	6.7
100.11264	8.3
105.07036	61.7
107.08598	27.9
109.06490	3.4
109.10146	6.8
110.79866	2.5
113.09637	2.9
117.06973	2.5
119.08577	55.0
121.10131	5.6
123.08136	2.3
123.11709	9.9
131.08568	4.0
133.10132	72.2
133.11142	3.7
134.10451	2.7
135.10765	4.2
135.11705	49.7
136.12019	3.5
137.09633	8.1
147.11694	4.9
149.02376	10.8
149.13301	2.3
171.67476	2.5
172.03923	5.3
173.04311	6.3
175.14825	100.0
176.15181	3.7
182.15427	3.5
191.14339	4.0
193.15985	13.6
204.06548	4.4
205.06905	8.2
210.14963	4.4
280.51022	2.5
358.14786	3.7
390.22165	8.5
391.17587	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	391.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	12.7
60.58905	0.8
70.68420	1.1
84.96037	2.9
98.97584	100.0
100.99130	0.8
102.79224	0.9
107.76625	0.7
110.97577	13.9
112.99129	1.5
116.98624	23.2
124.99107	1.9
128.98602	7.7
131.00163	1.2
134.99655	2.8
140.98593	3.1
143.00145	4.5
144.98058	0.9
146.99660	2.0
151.00656	1.7
152.98607	2.8
158.99669	7.6
161.01222	2.1
169.01720	6.1
170.99634	5.1
177.00670	4.4
187.02765	12.0
189.00764	2.6
197.01331	1.1
198.21960	0.7
201.00702	7.4
205.03900	3.2
211.02783	62.8
212.03297	1.3
214.52625	0.9
219.01772	41.0
220.02164	1.0
229.03838	78.7
230.04263	1.6
237.02811	33.7
238.03279	0.9
241.03883	1.2
245.03383	2.3
247.05005	6.2
255.03914	1.0
261.02783	3.2
263.04422	2.9
271.04929	18.7
279.03882	3.2
292.30630	0.8
331.06998	36.9
332.07410	1.5
349.08063	57.5
350.08389	2.8
372.09744	1.1
391.09149	11.0
398.77112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	0.9
56.96561	11.2
58.16780	0.7
70.05096	1.2
84.96025	3.0
98.23381	1.1
98.97579	100.0
110.97559	14.4
112.99091	1.7
116.97781	1.2
116.98620	22.2
124.99112	1.0
126.96999	1.0
128.98598	7.9
131.00220	0.7
134.99683	2.4
140.98587	3.2
143.00131	3.8
145.32849	0.8
146.99684	1.7
151.00621	1.4
152.98595	2.5
158.99660	9.2
161.01244	1.8
167.00201	0.8
169.01715	5.1
170.99667	4.0
173.01155	0.8
177.00713	4.6
182.99693	0.8
183.13321	0.7
187.02777	8.8
189.00719	2.0
197.01106	0.8
201.00595	5.9
203.02156	0.8
205.03853	3.3
211.02769	58.3
212.03081	1.1
219.01756	37.6
220.02190	0.7
229.03828	77.6
230.04155	2.1
237.02798	32.5
238.03287	1.0
241.03838	1.6
245.03423	3.5
247.04918	5.3
252.05531	1.2
255.03836	1.3
261.02856	3.1
263.04428	3.0
271.04883	23.1
272.05234	1.1
279.03897	2.7
313.35049	0.8
331.06976	39.2
332.07275	2.2
349.08032	56.6
350.08203	3.1
369.51715	0.7
391.09076	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	391.1369
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
65.67605	1.1
69.03429	1.4
71.08636	2.1
81.03402	1.2
81.07057	2.1
83.04975	1.0
85.02914	2.6
90.42636	1.0
91.05490	1.6
93.07038	1.4
93.27599	1.1
95.08596	1.8
97.02918	1.8
105.07040	1.7
107.08588	1.3
109.02859	1.3
119.08562	1.5
129.62833	0.9
133.10114	1.8
135.08043	2.0
149.02345	17.2
167.03482	1.5
176.15086	1.2
185.04094	1.3
211.17006	1.8
217.16283	1.2
229.08510	1.2
229.18005	1.3
269.09973	30.4
269.12805	2.1
270.10291	1.8
308.85480	1.2
320.13031	1.3
326.93161	1.1
332.65573	1.1
359.12485	1.3
377.13474	2.1
391.13568	100.0
391.27460	3.1
392.13815	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	391.1731
Annotation	Trp Trp
Peak:m/z	Relative Intensity
50.48919	0.6
53.35546	0.7
57.07057	0.7
67.05521	0.8
71.08632	1.8
71.93291	0.6
81.07056	1.6
89.03822	0.6
91.05483	0.7
93.07043	1.3
95.04971	0.7
95.08636	0.8
107.08625	0.7
109.10195	0.9
121.10120	1.0
135.11678	0.7
137.09563	0.8
149.02347	9.6
167.03470	0.8
183.02701	1.9
200.02950	1.9
206.85629	0.6
229.12006	1.2
391.17288	100.0
392.17599	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.1
57.03431	2.8
63.88330	1.9
67.05504	4.8
69.03441	2.2
69.07071	4.8
69.74906	1.6
71.05004	3.3
71.08645	2.7
72.94529	1.7
74.79853	1.5
79.05511	4.8
80.58316	1.4
81.07067	19.3
83.04990	4.5
83.08613	2.8
83.63744	1.5
85.02914	5.3
85.06534	4.7
91.05508	2.8
93.07069	13.1
95.04969	2.0
95.08612	20.6
98.22932	11.1
99.08114	4.9
100.08460	1.7
105.07034	6.4
107.08606	27.2
107.62997	1.5
108.08965	2.4
109.10159	10.3
119.08596	19.8
120.08936	5.6
121.02879	2.3
121.10121	8.2
123.11730	11.8
133.10150	17.4
134.10463	12.1
135.11702	28.9
136.12117	3.9
139.11247	1.5
142.69957	1.7
147.11713	2.2
149.02356	22.4
149.13301	8.7
151.11253	3.3
153.12807	2.8
163.14835	53.3
167.03490	3.5
167.14360	2.9
175.14845	20.8
176.15170	16.8
181.15891	7.8
190.85999	1.5
193.15894	13.0
194.16249	4.0
211.16946	100.0
212.17310	12.3
228.84924	1.7
229.09668	1.9
229.18118	2.3
257.09216	2.8
281.09296	4.4
299.10229	2.5
373.13800	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.233
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.05513	4.1
57.03431	2.8
63.88330	1.9
67.05504	4.8
69.03441	2.2
69.07071	4.8
69.74906	1.6
71.05004	3.3
71.08645	2.7
72.94529	1.7
74.79853	1.5
79.05511	4.8
80.58316	1.4
81.07067	19.3
83.04990	4.5
83.08613	2.8
83.63744	1.5
85.02914	5.3
85.06534	4.7
91.05508	2.8
93.07069	13.1
95.04969	2.0
95.08612	20.6
98.22932	11.1
99.08114	4.9
100.08460	1.7
105.07034	6.4
107.08606	27.2
107.62997	1.5
108.08965	2.4
109.10159	10.3
119.08596	19.8
120.08936	5.6
121.02879	2.3
121.10121	8.2
123.11730	11.8
133.10150	17.4
134.10463	12.1
135.11702	28.9
136.12117	3.9
139.11247	1.5
142.69957	1.7
147.11713	2.2
149.02356	22.4
149.13301	8.7
151.11253	3.3
153.12807	2.8
163.14835	53.3
167.03490	3.5
167.14360	2.9
175.14845	20.8
176.15170	16.8
181.15891	7.8
190.85999	1.5
193.15894	13.0
194.16249	4.0
211.16946	100.0
212.17310	12.3
228.84924	1.7
229.09668	1.9
229.18118	2.3
257.09216	2.8
281.09296	4.4
299.10229	2.5
373.13800	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	1.2
65.62254	0.4
68.73083	0.4
69.92612	0.9
70.06599	1.4
71.08646	0.5
88.07641	0.7
99.53593	0.4
101.56078	0.4
132.10246	0.6
146.11789	0.6
149.02394	2.3
182.51521	0.4
284.29483	0.7
285.29849	0.8
317.20947	0.5
328.32187	1.8
329.32529	1.1
364.28592	0.4
373.12222	0.8
390.35846	3.4
391.24597	100.0
392.24921	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
55.94280	0.8
57.07062	1.8
57.43007	0.8
67.05520	2.4
69.18875	5.1
71.04987	1.1
79.05482	3.2
81.07060	5.4
83.04937	0.9
91.05475	5.0
93.07069	5.6
95.04967	5.6
95.08617	2.3
105.07027	8.8
107.08573	4.0
109.06516	1.9
109.10118	1.6
115.05449	0.9
117.07010	3.0
119.08591	5.3
121.06495	2.0
121.10113	3.5
121.33207	0.9
123.11705	1.0
127.25328	0.8
128.06190	1.4
129.06990	1.9
131.08548	4.1
133.10158	2.0
135.08014	1.3
142.07753	1.9
143.08510	3.3
145.10126	5.9
146.85046	0.8
147.11668	1.2
149.02327	2.0
149.74240	1.0
153.06906	1.0
154.07761	1.4
155.08522	1.6
156.09357	1.9
157.10110	5.6
159.08049	1.3
159.11676	2.1
161.09625	1.8
165.07008	1.3
167.08539	1.7
169.10121	3.8
171.11699	2.8
173.09550	1.2
173.13242	2.0
179.08583	1.7
181.10049	1.8
182.10872	1.3
183.11665	3.0
185.09550	1.0
193.10095	1.9
194.10904	1.9
195.11655	2.6
197.13239	2.3
201.12740	1.1
206.10846	1.5
207.11757	1.9
208.12454	1.2
209.13213	3.4
211.14839	0.9
221.13210	2.0
223.14951	1.3
225.12689	1.0
233.13255	1.7
235.14691	1.4
243.11575	1.1
249.16391	1.8
259.14725	1.3
282.19696	1.1
295.20660	1.0
297.18442	1.4
335.19742	1.2
373.25357	4.8
389.54791	0.9
391.24512	100.0
391.34970	4.2
392.24951	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39487	4.5
54.44306	5.0
55.05497	11.1
57.07065	9.0
67.05496	14.0
67.37762	4.1
69.07068	14.9
70.06612	4.5
71.04964	6.4
71.61972	4.8
79.05502	23.0
80.95580	6.3
81.07050	31.1
83.08596	8.0
88.07603	7.6
91.05481	25.3
93.07047	37.6
95.04967	35.3
95.08591	14.7
104.18687	6.3
105.07014	49.1
107.08607	18.2
109.06516	13.5
109.10134	5.1
117.07005	9.7
119.08580	44.7
121.06509	17.5
121.10128	21.7
123.08062	7.1
128.06210	11.2
129.07010	14.1
130.07777	7.7
131.08565	22.3
133.10153	15.4
135.08043	6.3
137.00354	4.9
142.07780	14.9
143.08533	24.4
145.10120	32.9
147.11682	10.4
149.02293	25.7
155.08536	9.2
156.09354	9.9
157.10129	24.5
159.07996	5.3
159.11694	15.7
167.08507	5.4
169.10133	17.0
171.11682	16.2
179.08521	6.7
181.10120	11.2
183.11707	13.7
193.10066	11.4
195.11685	13.8
196.12407	7.1
197.13255	13.2
199.14824	6.6
206.10767	10.2
207.11723	14.1
208.12474	5.7
209.13257	11.5
211.14754	6.6
213.12634	6.9
219.11705	6.7
221.13274	13.1
223.14714	7.7
233.13051	5.8
233.15340	7.2
235.14899	8.2
237.16295	7.1
243.11436	6.5
245.13199	5.0
249.16464	9.0
251.14565	6.3
256.26501	10.5
257.26877	23.0
259.14886	5.0
263.17789	7.0
275.18097	6.1
279.17694	5.7
282.20010	5.8
291.17337	6.4
317.24762	14.3
373.25024	9.8
391.25931	100.0
391.36194	22.7
392.26407	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05508	10.6
57.07078	5.2
59.05012	3.4
65.03951	2.9
67.05505	11.2
69.03439	4.3
69.07064	11.5
69.59088	4.8
71.05000	1.8
74.36062	1.3
79.05492	21.9
81.07051	33.1
81.07489	2.2
83.04997	4.8
83.08637	1.9
85.06551	4.2
91.05476	37.7
92.05796	1.5
93.07044	36.4
93.07599	2.9
94.07353	1.7
95.04961	40.3
95.05516	2.4
95.08601	22.7
97.06564	5.5
100.84440	1.4
103.05519	3.4
105.04538	3.4
105.07026	68.2
107.05013	2.6
107.08589	26.7
109.06521	11.2
109.10136	8.0
115.05463	3.9
116.06223	1.9
117.07014	15.4
119.05006	1.7
119.08576	52.0
119.11272	1.4
121.06506	10.9
121.10143	22.5
123.08088	3.0
123.11735	2.1
128.06216	11.9
128.71381	1.3
129.07016	14.0
130.07823	6.6
131.08562	22.2
132.08911	1.5
133.06511	2.0
133.10124	17.2
135.08086	5.3
135.11736	3.7
137.09624	1.8
141.06995	8.3
142.07776	16.9
143.08548	34.1
144.09354	5.2
145.06508	3.3
145.10124	43.8
147.08076	6.3
147.11693	12.3
149.02409	2.3
149.09633	5.6
153.07030	4.6
154.07860	3.2
155.06166	1.8
155.08560	12.4
156.09335	12.6
157.10127	36.1
157.11385	2.2
158.07362	1.7
158.10832	3.2
159.08063	7.9
159.11684	12.6
161.09599	7.9
161.13309	3.2
163.11229	1.7
165.07045	6.7
166.07805	2.7
167.08517	8.6
167.10713	3.5
168.09375	4.4
169.10138	22.3
169.11508	2.4
170.10982	4.7
171.08150	2.5
171.11716	15.6
172.08844	2.5
172.12277	2.4
173.09671	6.4
173.13255	10.1
175.11270	4.5
179.08582	12.1
180.09377	5.8
181.10104	18.4
181.11501	1.6
182.10945	8.1
183.11696	17.8
184.12411	2.8
185.09689	4.1
185.13330	6.8
187.11232	3.6
187.14883	3.7
189.12788	1.6
191.14359	4.3
192.09332	7.8
193.10118	19.0
194.10860	8.8
195.11665	15.8
196.09055	1.4
196.12492	5.9
197.09622	4.2
197.13242	15.5
199.11206	6.6
199.14932	5.9
201.12759	3.1
203.08562	2.3
203.14392	1.7
204.09514	1.9
205.10172	6.2
206.10802	7.6
207.11670	17.7
208.12471	6.5
209.13242	15.5
210.13817	2.3
211.11296	4.0
211.14735	9.0
213.12865	4.3
215.14413	3.1
216.09508	1.8
217.10168	2.6
217.15974	2.1
218.10936	2.7
219.11676	8.7
220.12500	5.3
221.13205	11.9
222.14111	4.8
223.11275	3.5
223.14822	14.0
225.12785	3.0
225.16486	2.5
227.14400	4.7
229.10181	1.6
230.10962	2.8
231.11740	5.0
232.12524	3.0
233.13327	9.2
233.15465	5.8
234.14127	3.5
235.11195	2.0
235.14754	7.1
236.15773	2.1
237.12825	2.3
237.16495	4.8
243.11766	3.4
244.12387	1.9
245.13417	5.5
246.14090	3.2
247.14758	7.1
248.15588	4.0
249.16409	11.3
251.14444	3.9
251.18001	4.7
257.13239	2.6
259.14963	5.5
260.15787	1.7
261.16467	3.9
263.14807	2.0
263.18051	5.8
264.18704	1.9
265.15872	1.8
265.19614	3.3
267.17587	4.3
269.19040	3.6
270.14133	1.6
273.16455	2.9
274.16998	2.4
275.17883	3.2
277.16330	1.9
277.19620	4.7
279.17386	2.6
281.19092	2.5
282.19690	7.0
284.15662	1.9
289.19708	2.4
291.17419	2.5
293.19128	2.9
295.20682	2.8
297.18649	5.7
299.17914	2.4
303.17657	3.0
305.19049	1.7
307.20673	3.5
308.21555	2.7
317.19116	1.9
329.22736	1.8
335.20334	5.8
345.25769	2.4
355.24185	3.1
373.12216	1.7
373.25146	16.0
374.25848	1.6
391.26343	100.0
391.36377	5.0
392.26746	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	393.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06144	16.0
55.72551	15.5
69.65094	67.1
124.13107	16.7
245.04878	24.0
393.05826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35106	6.7
70.94131	9.3
70.94477	11.1
77.16836	7.2
110.06564	8.8
140.73476	6.7
149.02383	11.4
150.09277	8.4
163.75935	7.3
203.11380	15.8
211.80438	7.3
226.06540	7.8
393.05887	100.0
393.11496	11.1
393.18976	10.4
393.98175	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	393.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11562	8.2
61.62738	8.5
69.39495	37.5
98.22791	20.7
98.97626	9.8
113.94025	8.0
136.88324	9.6
144.46004	8.7
153.43204	9.5
187.66553	9.9
200.46684	10.0
248.85576	10.4
393.05783	100.0
394.06033	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	393.1182
Annotation	Breynioside A
Peak:m/z	Relative Intensity
53.03927	1.1
65.03934	3.1
69.03431	4.5
69.90514	2.1
71.05000	0.9
71.21747	0.5
79.01992	0.6
81.03417	10.1
83.15850	0.6
85.02902	2.7
95.04968	6.5
97.02908	6.1
99.04473	0.9
107.08555	0.6
109.02869	3.6
110.06054	0.7
111.04451	1.6
121.02869	100.0
121.03926	4.1
122.03187	2.1
127.03916	1.9
138.05484	1.4
139.03902	15.7
145.05029	0.8
162.49086	0.7
208.62596	0.6
223.06030	0.9
248.21808	0.6
265.07050	12.7
265.09583	1.0
266.07492	0.6
269.93393	0.6
283.08176	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89857	0.5
68.89091	0.4
68.98288	0.6
69.03397	0.7
69.47649	1.0
69.48040	1.2
76.21243	0.5
82.99855	1.0
85.02892	1.2
95.04978	2.3
97.02881	2.8
101.00876	8.6
109.02895	0.7
113.00858	1.8
114.05647	0.5
115.02454	0.8
119.01103	0.6
119.01928	10.4
120.01910	0.4
127.02409	3.1
131.01912	3.5
133.03432	1.2
137.00935	0.5
137.02968	0.8
139.02423	0.5
139.05754	0.6
143.01904	8.9
145.03462	11.0
146.03496	0.6
155.01895	7.0
156.02750	1.2
157.03471	3.8
159.01393	1.8
161.02959	11.4
162.03026	0.6
163.04530	1.0
167.01897	1.4
169.03497	1.9
171.04997	1.3
173.02951	7.9
175.04504	1.8
179.01854	2.3
185.02985	5.8
187.04520	6.6
189.06129	0.7
191.04004	0.5
195.05034	1.8
197.02943	9.6
203.04027	12.0
204.04399	0.7
213.06081	18.2
214.06218	1.5
215.03944	1.2
218.24719	0.6
221.05066	15.4
227.04131	0.9
229.05544	3.6
231.07138	14.6
232.07401	0.9
233.05109	0.5
245.05066	100.0
246.05235	6.6
247.06635	12.4
255.07178	3.3
263.06113	22.3
263.08929	1.2
264.06360	1.4
271.06848	0.5
273.08231	6.6
274.08276	0.6
286.07675	0.8
291.09311	0.7
297.08200	0.7
315.09286	1.3
333.10345	11.0
334.10443	0.8
351.11340	5.6
393.12408	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	393.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73647	0.4
70.73967	0.5
75.56311	0.3
96.40762	0.3
151.22000	0.3
155.86543	0.3
201.03789	0.5
203.05261	21.0
204.05576	0.5
213.12454	2.8
231.13641	0.6
263.75693	0.4
279.20740	0.3
285.81299	0.3
393.18805	100.0
394.19138	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90025	0.2
61.33348	0.2
70.18933	0.2
70.73785	0.3
98.22765	0.3
109.10136	0.3
123.08073	0.6
131.08531	0.3
133.10124	1.4
173.13310	0.6
203.05270	4.5
213.12469	0.5
231.13652	0.3
243.03139	0.2
393.18820	100.0
394.19196	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	393.1887
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
53.13517	0.3
70.71751	0.6
119.66444	0.4
148.06726	0.3
189.08772	0.4
199.91025	0.3
203.05241	1.2
231.13556	1.8
309.78476	0.4
393.18854	100.0
394.19217	7.6
405.40015	0.4
418.59332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.189
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
52.49363	0.3
70.71735	0.4
89.63008	0.4
201.03777	0.9
203.05287	27.6
204.05730	0.5
213.12529	3.7
393.18869	100.0
394.19199	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	393.1885
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05512	0.4
55.92864	0.3
58.67401	0.3
63.96739	0.4
67.05512	0.3
69.07085	0.4
70.74718	0.6
79.05489	0.5
80.12453	0.4
80.16696	0.3
81.07054	1.3
85.06551	0.5
93.07046	0.7
95.08622	1.0
106.11181	0.3
107.08558	0.8
109.10101	0.4
121.10147	0.3
133.10141	0.5
135.11687	0.4
157.66319	0.3
184.50694	0.3
199.56615	0.4
199.67447	0.4
203.05302	0.8
297.12262	0.4
303.23111	0.8
360.92816	0.4
393.18839	100.0
394.19162	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	0.3
77.07983	0.3
98.23478	0.6
110.61471	0.3
121.97333	0.4
131.08588	0.4
157.10078	0.4
176.00888	0.3
190.01456	0.3
195.66684	0.3
247.70668	0.3
277.18536	0.4
298.92233	0.4
374.92551	0.4
376.25879	0.6
393.26086	100.0
394.26462	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27487	0.5
50.77204	0.6
57.07077	14.7
58.07415	3.0
62.05264	0.5
67.05498	0.7
69.21337	3.5
79.68462	0.5
81.07053	0.8
83.08598	0.5
93.07059	0.7
95.08552	0.6
109.10223	0.7
142.99927	0.5
149.05995	1.0
207.11366	1.4
208.11629	2.1
218.48871	0.6
225.14270	0.7
308.19638	2.4
309.19977	8.6
375.24704	8.1
376.25659	1.9
393.26096	100.0
394.26498	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50697	3.9
53.69571	4.1
55.05515	16.0
57.07074	63.9
61.35040	4.4
67.05506	38.9
69.07083	22.5
71.08261	6.2
71.08631	49.4
79.05499	21.0
81.07054	48.5
82.07414	4.9
83.08620	19.4
85.10186	23.2
89.06038	44.3
91.05487	39.7
93.07043	47.3
95.04976	35.3
95.08606	51.5
97.06507	6.0
98.98466	60.6
99.11697	5.0
105.07026	52.4
107.08595	31.3
109.06529	7.5
109.10154	26.3
117.07034	15.1
119.08569	62.2
121.06529	16.7
121.10157	19.5
123.08060	5.5
123.11724	12.1
128.06223	5.9
129.07021	8.2
131.08580	26.5
133.06529	5.2
133.08606	20.9
133.10124	37.4
135.11699	16.5
140.77783	4.8
142.07805	17.9
143.08551	23.6
145.10103	44.3
147.11722	14.7
155.01030	100.0
155.08531	6.7
156.09297	8.7
157.10117	38.4
157.61446	4.5
159.11664	28.7
161.09593	11.1
169.10182	13.4
171.11655	14.1
173.13281	16.6
175.11226	9.8
175.14891	9.7
181.10178	7.5
183.11717	13.8
185.13229	7.0
187.14764	7.5
194.10854	4.9
195.12340	44.5
197.13316	9.4
201.16316	8.2
209.13272	9.0
211.14807	9.6
223.14868	7.2
239.23778	13.4
323.04953	5.4
340.52664	4.5
376.26376	6.8
377.32611	22.9
393.27655	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68019	1.9
53.03941	4.8
55.01870	3.3
55.05511	22.5
57.07078	15.1
59.05005	3.3
65.03946	3.2
67.05505	30.6
69.07063	16.5
69.09978	5.8
69.10381	7.5
71.05012	2.6
71.08627	2.8
72.42603	1.7
77.03940	5.1
79.05499	34.1
80.06290	2.3
81.03438	2.8
81.07056	59.8
83.05006	4.5
83.08617	10.8
85.06559	2.2
91.05479	51.5
93.07044	83.1
94.07386	3.8
95.04971	60.2
95.08604	46.3
97.06510	11.3
97.10214	1.8
103.05476	4.1
105.04532	6.4
105.07030	100.0
106.07327	3.5
107.08589	51.5
107.76096	1.9
108.97514	1.9
109.06531	10.4
109.10151	27.4
111.08046	2.4
115.05455	6.4
116.06284	2.1
117.07015	16.8
119.08576	94.3
120.08881	2.6
121.06503	23.3
121.10140	41.3
123.08075	6.4
123.11694	9.5
128.06218	9.4
129.06995	16.2
130.07768	7.2
131.07655	3.2
131.08572	42.4
133.06500	2.8
133.08621	3.2
133.10132	52.8
134.10480	2.3
135.08038	4.6
135.11708	14.5
137.09569	3.2
139.11205	2.2
141.07004	4.6
142.07791	26.1
143.08565	33.2
144.09340	8.8
145.06490	4.4
145.10127	61.8
146.10559	2.9
147.08102	3.6
147.11678	25.5
149.09613	6.0
149.13283	3.1
154.07716	3.1
155.08578	10.6
156.09358	10.6
157.10126	54.3
158.07234	2.2
158.10764	7.2
159.08083	6.3
159.11696	44.3
161.09595	19.0
161.13286	9.0
165.06888	2.7
167.08536	6.7
168.09297	4.0
169.10120	21.2
170.10847	4.4
171.11650	25.3
172.12434	4.1
173.09637	4.9
173.13213	22.5
175.11186	14.1
175.14807	15.0
177.12802	2.1
179.08583	5.5
181.10078	10.2
182.10905	7.1
183.11673	17.8
185.09608	2.4
185.13298	9.3
186.13895	3.1
187.11180	8.8
187.14809	9.6
192.09323	3.3
193.10104	3.8
194.11003	6.7
195.11601	10.9
196.12411	4.2
197.13263	13.5
198.13924	3.2
199.11296	2.3
199.14774	6.1
201.12851	2.4
201.16402	10.5
206.10956	4.3
207.11711	6.5
208.12334	4.7
209.13226	14.5
210.13953	3.2
211.14815	8.7
213.16420	6.7
215.14311	3.8
219.17288	2.8
220.12498	3.4
221.13315	5.9
223.14777	9.5
225.16344	3.4
235.14882	8.3
237.16405	3.4
239.14265	2.3
239.17978	2.3
251.17908	3.4
253.15800	4.6
255.17218	3.0
263.18176	2.9
265.19531	3.7
266.20490	2.1
271.20517	2.2
283.20560	3.2
304.62329	2.2
319.20245	2.5
375.26923	6.1
376.25821	2.7
393.27780	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	394.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61567	1.2
53.60471	1.0
55.05507	6.6
57.03436	2.0
57.07074	4.6
61.02929	1.9
67.05508	22.0
69.03424	3.4
69.07069	6.1
69.32095	5.0
71.05003	4.6
72.95373	1.2
79.05518	3.0
81.07063	46.1
81.71984	1.3
83.04967	1.9
83.08611	5.6
85.02915	6.4
85.06553	3.1
85.65435	1.2
91.05503	3.4
93.07064	3.8
95.04940	1.5
95.08607	32.2
97.02908	3.3
97.06525	1.5
97.10188	3.3
99.04461	1.2
105.05613	1.1
105.07057	5.1
107.08604	2.7
109.02890	1.6
109.06561	1.9
109.10175	4.7
119.08599	5.9
121.10178	3.9
123.08096	1.9
131.07091	1.2
133.10150	3.9
135.11722	9.0
137.09663	3.1
137.13261	89.1
138.13644	3.7
155.10733	1.0
161.13269	15.1
165.09109	4.5
174.69305	1.0
179.14336	16.4
197.15355	11.7
199.10980	1.2
203.05345	2.9
215.16438	100.0
216.16797	4.6
234.11214	1.2
373.16293	1.2
394.19180	33.3
394.23935	2.3
394.34924	1.6
395.11276	2.7
395.16202	3.0
395.21017	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	394.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.05521	7.0
57.03431	1.1
57.07081	4.8
63.10704	1.0
67.05504	19.9
68.19261	1.1
69.03430	2.2
69.07053	8.5
69.38903	4.8
69.92390	1.0
70.06562	1.0
71.04993	3.0
79.05492	5.3
81.03461	1.1
81.07059	46.3
82.07389	1.0
83.04953	1.4
83.08627	4.1
85.02921	7.6
85.06522	2.0
91.05465	2.6
93.07039	4.6
95.08605	36.6
95.09219	2.1
97.02897	1.8
97.06528	2.2
97.10167	2.8
99.08112	1.6
105.07034	5.1
107.08621	2.1
108.36837	0.9
109.02870	1.5
109.06500	1.5
109.10140	6.4
111.08060	1.2
112.36629	1.0
117.99924	0.9
119.08577	6.1
121.10155	2.6
123.08060	3.1
127.03912	1.6
133.10147	3.4
135.11679	11.0
137.09612	3.5
137.13254	88.0
138.13591	3.3
145.25192	0.9
155.10765	1.0
161.13274	16.1
165.09082	1.5
179.14308	17.4
180.14612	1.5
186.41296	1.0
197.15382	10.4
203.05354	1.2
215.16420	100.0
216.16727	5.6
247.11772	2.8
291.84177	1.0
394.19180	32.8
395.11176	3.3
395.15796	1.9
395.20828	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1125
Annotation	Justicidin C
Peak:m/z	Relative Intensity
60.84735	0.4
63.40401	0.3
67.05524	0.5
81.07047	0.7
93.07049	0.5
95.04987	0.7
95.08573	0.5
98.23415	1.1
109.10166	0.7
131.13992	0.4
131.33022	0.4
158.07166	0.6
185.05986	0.5
186.06728	0.5
189.07018	0.6
191.08586	0.6
203.08536	0.8
205.06531	1.2
206.07242	0.9
207.08064	1.6
211.14287	0.4
214.06227	0.9
218.07251	1.0
219.08093	2.8
220.08815	1.1
221.09601	0.6
222.10455	0.4
223.07536	0.8
229.08603	1.3
230.07454	0.6
231.08087	1.4
232.08813	0.5
233.06081	1.3
233.09647	1.5
234.06776	1.6
234.10370	0.6
235.07504	4.1
236.08167	0.7
237.09175	0.6
237.85136	0.4
245.05974	0.9
246.06760	1.3
247.07489	5.2
247.09709	0.6
248.08345	2.6
249.05241	0.7
249.09055	2.5
250.06331	0.6
250.09842	1.3
251.07092	1.1
257.08054	2.3
258.06735	0.5
259.07574	1.0
260.08340	1.3
261.05499	1.4
261.09061	3.6
262.06274	4.1
262.09875	1.8
263.07028	7.2
263.10443	0.8
264.07724	1.0
265.08606	1.9
265.12079	1.0
266.09131	0.5
273.05594	0.7
274.06223	0.5
275.07004	6.4
276.07748	4.2
277.08548	3.8
278.05783	3.8
278.09378	2.8
279.06442	1.8
279.10214	1.2
281.11493	0.7
287.06924	0.6
288.07825	1.4
289.04898	1.5
289.08578	3.6
290.05759	3.3
290.09372	3.9
291.06509	3.9
291.10092	2.0
292.07330	2.0
292.10852	1.3
293.08090	2.8
293.11755	3.7
294.08636	1.0
295.09537	2.3
297.11273	0.7
303.06503	2.1
304.07242	3.9
305.04739	0.5
305.08035	8.0
306.05447	0.8
306.08777	4.3
307.05978	1.1
307.09653	2.9
308.07077	0.4
308.10382	1.5
309.07764	0.4
309.11234	1.3
317.04367	0.8
317.07925	0.9
318.08868	1.0
318.14044	0.4
319.06110	1.5
319.09613	18.5
320.06860	1.1
320.10367	17.1
321.07535	3.2
321.11148	5.7
322.08258	1.4
322.11774	0.7
323.12726	0.8
331.05917	1.0
332.06802	2.2
333.07501	4.5
334.08319	2.8
335.05618	0.7
335.09122	4.4
336.09885	10.9
337.10461	1.5
339.12210	0.8
345.07581	0.7
346.08365	2.0
347.09109	4.7
349.10721	0.9
350.07751	2.1
350.11533	3.7
351.08405	0.5
351.12228	10.5
352.12750	0.7
362.07843	1.6
363.08801	1.5
364.09326	6.5
365.10104	5.5
366.10468	0.7
377.10306	1.8
380.08984	1.5
395.11249	100.0
396.11633	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	395.1319
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
53.79158	0.7
55.05520	0.8
57.03427	2.4
60.77731	0.6
67.05500	0.8
69.03429	1.1
69.07067	1.2
69.11507	4.1
71.04995	10.0
73.02902	0.7
75.04487	2.0
81.07078	1.3
83.04991	2.9
85.02908	20.9
85.06566	0.8
93.07059	1.4
95.08587	0.8
97.02905	2.1
98.22798	2.2
98.23493	1.3
99.04504	0.9
103.11980	0.5
105.07030	0.7
107.08610	1.1
108.56475	0.7
109.06609	0.7
111.04462	1.4
111.08046	1.0
123.08074	0.9
127.03912	1.6
129.05476	6.7
131.07121	0.7
135.08014	0.7
141.31517	0.6
145.04982	1.7
145.80130	0.5
147.06523	4.5
153.09122	1.6
160.89346	0.6
179.10690	0.7
181.12178	0.8
195.10237	1.1
197.11769	2.2
199.09666	1.1
213.11243	0.9
233.13893	0.7
255.08826	0.7
303.09561	0.7
319.09708	1.1
371.91229	0.6
395.13135	100.0
396.13467	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	395.2049
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
63.83309	0.6
71.43673	0.7
80.71234	0.6
92.23727	0.6
97.26144	0.7
98.22899	0.8
130.37074	0.7
135.46889	0.7
137.09610	0.9
145.02354	0.8
182.95016	0.7
264.30487	0.6
289.08505	0.7
291.06583	0.8
305.07791	0.7
319.09628	1.7
320.10483	1.1
336.10269	0.8
365.10303	1.1
395.11475	6.0
395.20416	100.0
396.20865	6.2
397.70670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2049
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.05500	0.8
67.05504	0.9
69.03424	1.2
69.07076	0.7
69.53410	1.0
69.53814	1.9
79.05519	1.1
81.07053	1.9
95.08617	1.6
98.22771	1.2
100.97163	0.6
103.97110	0.6
105.07036	1.0
107.08602	1.3
109.10167	1.1
121.06506	1.2
121.10157	1.2
123.08035	0.6
133.10110	0.7
145.10149	1.2
149.09575	0.8
159.08046	2.3
177.09134	1.4
187.14854	1.3
203.05289	2.7
233.15416	1.4
319.09662	1.5
320.10291	0.8
336.10068	0.7
347.09268	0.9
351.12134	1.2
358.05194	0.6
395.11469	5.1
395.20398	100.0
396.11661	0.8
396.20743	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	395.331
Annotation	Ergosta-5,7,22,24(28)-tetraen-3beta-ol
Peak:m/z	Relative Intensity
52.19507	0.6
52.75307	0.7
55.05507	3.0
55.66374	0.6
57.07072	0.8
62.78446	0.7
64.43814	0.6
67.05505	3.5
69.07076	7.5
69.23666	0.6
71.08627	1.1
79.05485	2.7
81.07057	8.3
83.08612	2.9
89.06030	1.9
91.05479	3.3
93.07041	4.8
95.08604	7.0
105.07030	6.4
107.08595	5.6
109.10159	6.3
111.11766	0.7
113.92153	0.7
116.41486	0.8
117.07047	1.3
119.08552	5.9
121.10151	4.2
123.11662	3.4
129.07072	0.8
131.08580	3.9
133.08601	1.0
133.10104	3.7
135.11702	1.8
137.13315	0.9
142.07787	0.7
143.08548	3.2
145.10089	5.8
147.11685	3.7
149.13243	1.6
155.08611	0.8
156.09267	0.9
157.10112	5.9
158.10884	0.7
159.11696	6.2
161.13266	2.7
163.14868	0.8
169.10118	1.9
171.11676	6.1
173.13260	5.2
175.14865	1.1
183.11711	2.1
185.13249	4.4
187.14825	3.0
189.16342	0.9
191.14432	0.8
195.12259	1.7
196.12674	0.9
197.13182	2.0
199.14857	2.8
201.16432	4.9
209.13268	0.8
211.14857	2.6
213.16408	2.8
223.15001	0.9
225.16373	1.1
227.17961	3.0
237.16542	0.8
239.18018	1.2
241.19479	0.7
251.17946	2.8
253.19539	1.6
255.21188	1.7
267.21222	1.0
269.22733	3.5
270.22833	0.9
272.69791	0.7
279.21005	1.7
281.22653	1.0
283.24478	0.8
295.24258	2.2
307.24255	0.9
313.21048	0.6
319.24130	1.6
335.27472	0.8
362.29858	1.2
377.31924	6.0
395.11258	3.0
395.33078	100.0
396.33353	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	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.3
58.08899	1.5
61.02914	1.6
67.05508	2.5
69.03426	6.8
71.46321	1.6
74.04183	1.6
79.05500	4.6
81.03416	3.4
82.16302	1.5
83.04985	2.9
83.09055	1.5
85.02904	6.4
90.66342	1.4
91.05482	4.9
93.07044	4.2
95.04979	3.2
97.02886	4.1
97.06538	8.1
99.04456	2.2
102.46391	1.5
105.07018	3.3
107.08591	36.8
108.13850	1.3
109.02937	1.6
109.10159	2.1
111.08117	2.1
115.05429	1.6
117.07011	2.3
121.06490	4.0
121.55638	1.3
125.09571	2.1
127.03917	5.8
135.08049	100.0
136.08389	2.7
139.07521	2.4
145.04973	2.6
148.38924	1.5
153.09105	19.0
157.08595	5.3
163.07535	29.3
181.08588	19.6
199.09654	48.3
200.09988	2.3
208.16641	1.3
217.10713	6.3
235.21564	1.9
282.48349	1.4
311.82724	1.5
343.13831	5.7
362.89313	1.5
396.13013	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	396.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18489	0.6
52.27612	0.5
55.05511	4.2
57.03430	0.6
61.02922	0.8
67.05499	0.9
69.03429	2.4
69.07050	0.7
70.05315	1.2
70.05645	0.9
75.42603	0.7
79.05496	3.5
81.03411	1.3
83.04967	2.1
85.02890	3.6
91.05494	2.0
93.07040	3.3
95.04954	1.9
97.02889	1.7
97.06535	7.4
98.22758	0.7
99.04466	0.8
105.07039	1.8
107.04909	0.7
107.08593	34.0
107.49831	0.6
108.08891	0.8
109.06548	1.4
109.10166	1.7
109.13960	0.6
111.08029	0.7
115.05475	1.4
117.07040	3.2
120.08125	1.1
125.05958	0.7
125.09650	1.1
127.03926	2.0
130.06528	2.1
134.02347	0.5
134.85715	0.7
135.08049	100.0
136.08389	3.3
137.09616	0.8
145.04948	1.4
153.09100	16.5
157.08585	0.9
163.07538	19.6
164.07974	0.7
167.15265	0.7
181.08601	7.3
181.12106	1.0
199.09656	37.3
200.10027	1.7
215.59409	0.5
217.10767	1.9
249.12309	1.7
257.00253	0.5
343.14059	0.7
349.05286	0.7
396.13068	2.5
397.09006	2.5
397.14688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05498	1.0
57.07065	1.5
65.03631	0.3
65.03936	2.2
65.11498	0.3
67.05505	2.3
68.90417	0.3
69.07082	2.6
69.79079	1.4
71.04997	0.4
71.08630	3.3
79.05498	2.5
81.07056	4.2
83.08620	0.6
85.06540	0.7
91.05479	100.0
92.05798	2.1
93.07046	2.9
95.04969	4.5
95.08613	4.0
96.08949	0.4
97.06543	1.1
99.08089	1.6
101.09648	0.4
105.07034	2.1
106.05815	0.5
106.06549	13.9
107.08582	2.9
108.08116	18.9
109.06525	7.1
109.10165	1.7
112.79247	0.3
117.07020	1.4
119.08552	2.4
121.06504	1.4
121.10165	1.1
129.06984	1.0
131.08566	2.2
133.10107	1.9
135.08096	0.9
137.09572	0.9
143.08549	0.4
145.10106	1.5
147.11734	1.0
149.09622	0.6
149.13329	0.7
157.10139	0.5
159.11723	1.0
161.09743	0.3
161.13220	0.5
163.11217	1.2
163.14766	0.7
165.12749	26.4
166.13104	1.3
171.11720	0.6
173.13292	2.0
175.11224	1.5
176.10684	1.1
179.14404	0.6
183.11697	0.8
189.12753	0.4
190.12279	0.7
191.14328	2.7
201.12770	1.1
204.13826	0.6
229.19456	0.6
242.15396	0.4
244.16960	2.0
246.14850	0.4
255.17476	0.5
271.20572	2.0
282.18542	1.4
289.21564	4.3
291.23206	0.5
298.21622	5.4
326.06635	0.4
340.22836	0.6
378.28012	1.4
379.26361	0.9
396.28995	19.4
396.34506	14.6
397.29385	2.0
397.34637	0.8
407.56644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30515	0.7
64.64217	0.7
72.49797	0.7
79.83649	0.8
171.22830	0.7
194.05911	0.8
198.50014	0.7
219.50156	0.9
240.65176	0.9
397.11047	100.0
398.11548	5.4
407.65872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2222
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03937	2.1
55.01872	2.6
55.05509	16.0
55.05777	0.9
55.39286	0.4
57.03438	2.9
57.07053	0.6
59.05006	0.6
61.02924	4.6
65.03941	0.5
67.05504	1.2
69.03427	16.3
69.07067	2.0
69.32903	1.0
69.33299	1.3
71.04970	1.9
73.02911	2.4
79.05482	3.1
81.03413	5.7
81.06629	0.6
81.07056	8.7
83.01311	0.7
83.04975	2.7
83.08592	0.6
85.02903	32.8
85.06530	4.9
87.04456	1.7
91.03939	1.9
91.05476	3.7
93.07054	4.4
95.04976	2.4
95.08593	3.3
97.02885	12.4
97.06520	1.1
99.04475	2.6
103.03913	0.7
105.07024	8.5
107.04974	0.4
107.08591	5.0
109.02878	4.5
109.06502	1.5
109.10136	1.3
111.08086	0.9
115.03928	0.9
117.06989	1.1
117.75658	0.4
117.86671	0.4
119.04943	0.7
119.08582	7.6
121.06499	1.2
121.10136	2.7
123.08031	1.6
123.45547	0.4
125.05975	2.7
127.03916	8.6
128.06218	1.0
129.06973	0.9
131.08592	3.0
133.06468	1.0
133.10126	12.8
133.11137	0.6
135.08058	3.1
135.11694	2.0
137.05940	0.5
137.09583	1.3
142.07764	1.5
143.08571	3.7
144.87566	0.5
145.04959	6.3
145.10109	2.9
146.07227	0.5
147.08040	8.2
147.11670	1.6
149.09612	13.5
151.11133	1.0
156.09303	1.0
157.10114	3.4
159.11690	2.1
161.09618	16.1
162.10393	11.6
163.11205	6.6
165.09149	0.9
170.10896	1.1
171.11687	1.5
173.13222	1.4
175.11169	1.3
175.14842	0.8
179.10649	15.6
181.12297	0.7
183.10147	1.3
184.12445	1.2
189.14923	0.5
189.16298	3.0
199.14882	2.4
217.15866	100.0
218.16234	4.6
235.16902	4.8
247.11710	1.0
397.22192	37.2
398.22446	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	397.2223
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
53.03942	2.1
55.01882	1.7
55.05511	7.7
57.07075	2.9
59.05000	4.3
65.03954	2.2
67.05504	29.3
69.03428	16.2
69.07069	23.7
69.23114	2.6
69.23524	4.7
71.04996	29.5
73.06550	3.2
79.05499	15.4
81.03410	6.4
81.07058	41.7
83.04969	5.7
83.08626	8.9
85.02902	8.5
85.06536	1.7
87.08053	1.7
89.06023	5.3
91.05468	17.0
93.07047	35.5
95.04969	31.4
95.08602	19.6
97.02892	5.3
97.06535	4.0
97.10141	2.1
98.25484	1.3
99.04458	1.4
105.07036	33.7
107.08595	100.0
108.08886	3.0
109.02826	2.7
109.06536	7.2
109.10159	50.6
111.07323	2.5
111.08081	45.5
117.07026	2.5
119.08582	46.6
121.06496	3.7
121.10141	26.0
123.08054	2.7
123.11697	5.6
124.11907	1.7
125.05975	2.0
125.09632	44.1
127.03886	3.9
127.11215	3.8
129.07013	1.9
131.08566	14.7
133.10143	18.0
135.11690	38.3
137.09618	3.3
142.07808	1.7
143.08504	4.2
144.29039	1.7
145.10118	32.7
147.08037	5.7
147.11682	79.3
148.12067	3.6
149.09630	3.5
149.13292	4.5
153.12737	39.0
157.10106	7.4
159.11687	11.5
161.09636	4.6
161.13283	3.2
163.11174	7.0
165.12833	7.1
171.11659	2.4
173.13266	3.0
174.44466	1.4
175.11212	10.3
175.14842	5.2
179.10722	2.2
189.16399	39.3
190.16724	2.0
191.17963	4.2
193.15941	4.2
197.13269	1.8
199.14792	5.1
207.17439	6.7
217.15877	36.6
235.16931	32.9
236.17192	2.6
239.08943	1.7
253.18011	16.9
293.29929	1.5
379.21088	7.7
397.22046	7.2
397.25723	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	397.3103
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
53.03945	2.1
55.05509	13.0
57.07081	3.7
67.05505	23.5
69.03441	2.0
69.07069	64.0
71.08636	2.2
79.05485	9.6
81.07058	45.1
83.04994	3.7
83.08614	13.3
85.06535	3.7
87.04460	2.0
91.05465	18.2
93.07048	24.7
95.04970	3.1
95.08607	39.6
97.06528	9.0
97.10173	7.7
99.04443	5.1
105.07030	29.5
106.83177	1.8
107.08595	27.0
109.06519	6.7
109.10155	59.9
111.08096	5.4
111.11726	6.9
115.05518	1.9
117.07008	6.5
119.08591	23.2
121.06503	20.4
121.10144	18.5
123.08076	4.5
123.11701	9.8
125.09632	23.8
129.07013	4.9
129.54982	1.7
131.08577	17.7
133.06480	4.1
133.10141	16.2
135.08025	8.9
135.11676	8.9
137.09619	19.4
137.13268	6.4
142.07747	2.7
143.08557	13.9
145.10123	19.4
147.08038	7.5
147.11697	12.9
149.09621	7.1
149.13252	6.0
155.08585	8.0
157.10138	13.1
159.11673	15.0
161.09645	12.8
161.10806	2.0
161.13264	6.8
162.10178	1.9
163.11205	7.7
163.14819	4.7
165.16412	5.7
169.10133	8.7
171.08025	3.2
171.11690	14.0
173.09570	11.7
173.13272	15.4
175.11162	9.1
175.14810	2.6
177.16435	2.9
179.08435	2.1
181.10217	2.4
183.11694	7.4
185.13266	18.1
187.11185	2.8
187.14857	7.9
189.12750	5.4
189.16385	3.2
191.17963	4.6
195.11757	3.0
197.13257	5.7
199.11124	2.9
199.14807	10.6
201.12724	10.0
201.16397	5.1
203.14337	2.2
203.17937	7.7
209.13245	6.6
211.14908	7.2
213.12718	8.6
213.16412	2.5
215.14287	19.2
215.17813	3.5
217.15938	2.2
223.14767	3.9
225.12692	4.3
225.16350	2.1
227.14308	35.2
227.17838	3.8
229.15936	8.1
229.19574	3.4
237.16376	2.4
239.14415	3.4
241.15836	5.8
245.15410	8.8
249.16339	3.3
251.17992	6.4
253.15851	2.7
255.17445	2.6
255.18599	2.4
255.21088	15.0
265.19537	2.3
267.17398	10.1
269.19019	11.8
273.22101	7.9
277.19632	2.2
279.21170	3.1
283.20657	3.2
287.20294	1.8
287.23608	2.6
295.20688	5.1
297.22287	4.0
297.25647	2.4
305.22467	2.7
309.22079	1.9
311.27383	4.9
323.23657	6.8
337.28809	8.8
351.30634	3.6
361.28906	19.6
379.29962	71.7
380.30331	6.7
381.15463	1.8
392.65115	2.0
397.30997	100.0
398.31262	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03939	1.8
55.05505	0.5
57.03431	1.1
57.12862	0.4
61.02911	0.6
67.05507	2.4
69.03429	8.8
69.07053	1.5
69.92295	1.2
71.01353	1.0
71.04993	20.2
72.05321	0.5
73.02903	0.9
78.03456	15.0
80.05022	1.9
81.03416	13.0
81.07045	0.4
84.13879	0.4
85.02903	8.6
85.06541	0.5
89.02386	2.9
95.04984	3.1
96.04498	4.0
97.02884	4.4
99.04430	2.3
100.11259	0.8
106.02914	64.3
107.03236	1.3
109.02881	8.1
113.06008	12.6
115.03916	0.4
124.03953	100.0
125.04311	2.7
127.03915	6.0
131.07037	9.0
132.90631	0.5
145.04932	0.6
166.04997	2.1
195.45111	0.4
196.06108	0.6
201.09221	0.6
219.10265	0.5
226.07144	0.9
232.06061	1.8
240.51070	0.4
250.07104	14.7
251.07420	0.8
268.08151	51.2
269.08411	2.5
286.09222	3.5
338.62830	0.4
368.37576	0.4
398.14450	53.4
399.15317	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	398.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03445	4.6
61.02927	2.4
64.27971	0.7
67.05511	5.1
69.03432	6.4
69.07070	9.8
69.82362	2.7
71.01336	0.7
71.46109	0.7
72.06506	0.7
73.02541	1.0
73.02923	12.6
81.03439	1.9
81.07069	1.2
83.08614	0.7
84.92741	0.8
85.02914	16.6
87.04491	0.9
91.04008	0.9
91.05486	9.0
93.07054	4.8
95.08616	12.0
97.02899	10.2
98.22933	1.3
99.04474	1.8
101.02395	4.4
109.02932	0.7
109.10172	8.0
114.81067	0.9
115.03945	7.8
119.07740	1.7
119.08593	29.7
120.08915	1.4
123.08073	1.5
127.03951	4.4
133.04942	3.2
137.09633	31.7
138.09943	1.6
145.04968	8.3
147.08078	4.2
155.10692	3.9
163.06033	9.1
165.09126	6.2
183.10138	5.2
201.11240	100.0
202.11586	3.4
212.09123	1.3
213.11250	1.2
219.12317	17.5
223.06062	1.3
231.12245	0.9
235.95648	0.7
236.03757	1.3
241.07140	2.5
259.08041	2.4
284.96350	0.8
295.10339	2.6
399.16388	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	398.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76764	1.0
55.01885	1.8
55.05515	1.0
57.03430	2.0
58.16874	1.0
67.05506	13.2
69.03444	3.3
69.41251	4.5
71.04976	1.3
79.05508	1.4
81.03411	1.7
81.07066	14.2
85.02935	5.4
91.05484	1.6
93.07053	3.1
95.04981	4.9
95.08615	8.7
97.02884	2.6
99.04445	2.7
99.08097	2.3
106.46293	1.0
107.08654	1.5
109.02911	1.1
109.10165	73.8
109.82351	1.1
110.10495	2.5
111.04459	6.2
119.08613	4.2
121.10162	6.5
123.04440	1.9
125.06009	5.6
127.03931	1.8
137.09625	58.8
138.10014	2.1
147.08066	5.7
155.10675	40.6
165.09126	68.9
166.09494	2.7
173.11743	5.5
183.10182	51.7
184.10612	2.1
201.11238	100.0
202.11671	5.5
219.10202	1.5
219.12270	26.6
220.12648	1.6
303.10080	1.6
345.15250	1.4
363.16412	4.4
399.15881	10.0
399.20190	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	398.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76764	1.0
55.01885	1.8
55.05515	1.0
57.03430	2.0
58.16874	1.0
67.05506	13.2
69.03444	3.3
69.41251	4.5
71.04976	1.3
79.05508	1.4
81.03411	1.7
81.07066	14.2
85.02935	5.4
91.05484	1.6
93.07053	3.1
95.04981	4.9
95.08615	8.7
97.02884	2.6
99.04445	2.7
99.08097	2.3
106.46293	1.0
107.08654	1.5
109.02911	1.1
109.10165	73.8
109.82351	1.1
110.10495	2.5
111.04459	6.2
119.08613	4.2
121.10162	6.5
123.04440	1.9
125.06009	5.6
127.03931	1.8
137.09625	58.8
138.10014	2.1
147.08066	5.7
155.10675	40.6
165.09126	68.9
166.09494	2.7
173.11743	5.5
183.10182	51.7
184.10612	2.1
201.11238	100.0
202.11671	5.5
219.10202	1.5
219.12270	26.6
220.12648	1.6
303.10080	1.6
345.15250	1.4
363.16412	4.4
399.15881	10.0
399.20190	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	399.1421
Annotation	D 4476
Peak:m/z	Relative Intensity
52.77155	1.5
55.05517	2.4
57.07068	2.4
60.05264	1.4
67.05486	3.4
69.01157	1.6
69.03433	2.4
69.11105	3.3
69.11510	7.3
70.33104	1.3
81.07053	4.5
85.02937	1.7
93.07058	2.1
95.08601	3.5
98.97591	2.1
105.07022	3.0
107.08568	3.6
109.10130	2.1
119.08601	2.3
129.05484	2.0
162.08681	1.7
219.17596	1.8
237.18613	2.1
274.97488	4.2
399.14194	100.0
399.19662	4.5
399.27267	13.6
400.14532	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	399.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66810	0.5
51.67069	0.5
52.27250	0.5
55.05530	0.7
56.73262	0.5
67.05524	0.9
69.23302	2.4
71.05032	0.9
71.08665	0.5
79.05535	0.6
81.07079	1.0
85.02882	0.6
91.05478	0.6
93.07106	0.5
95.08636	0.6
98.23442	1.2
98.97613	0.6
107.08605	0.8
109.10184	0.7
119.08494	0.8
121.10146	0.7
135.08055	0.5
149.13347	0.6
160.48041	0.5
185.04204	1.3
189.51154	0.5
211.02223	0.6
237.10966	100.0
238.11287	3.7
243.47699	0.5
274.97598	0.6
399.16006	65.5
400.16449	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	399.1992
Annotation	Lys Asp His
Peak:m/z	Relative Intensity
57.07063	0.5
62.46918	0.4
63.21119	0.4
67.05495	0.5
69.21222	1.5
69.21631	0.8
71.04980	0.5
81.07069	0.5
93.07057	0.9
95.08606	0.5
98.97620	0.4
105.07058	0.4
107.08562	0.4
119.08559	0.6
121.10155	0.9
123.11774	0.5
129.05492	0.6
133.10138	0.6
139.64053	0.5
207.01489	0.4
219.17545	0.5
237.11107	0.6
237.14766	1.7
237.18581	0.6
274.97586	0.7
337.26825	0.4
350.68384	0.4
399.19946	100.0
400.20322	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	399.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
67.05497	0.9
69.03449	0.5
71.08627	0.8
73.70306	0.5
78.92074	0.4
81.03429	0.7
81.07063	1.6
83.08624	0.4
85.02949	0.6
93.07044	1.3
95.08652	0.7
97.02856	0.5
98.98494	0.6
104.82002	0.4
105.07063	0.8
107.08610	1.0
109.10139	0.8
119.08588	0.9
121.06541	0.6
121.10130	0.6
129.05565	0.5
133.10139	1.0
145.10138	0.6
147.11676	0.5
149.13277	0.5
159.11803	0.7
161.09671	0.5
173.13370	0.6
201.12827	0.8
206.15576	0.4
219.13893	1.1
237.14922	1.6
264.99704	0.5
266.10760	0.5
274.97586	1.0
301.20163	0.7
399.20090	100.0
400.16000	0.4
400.20392	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	399.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	50.8
67.05505	23.2
68.84337	4.9
69.03439	11.6
69.07079	9.0
69.59525	15.3
70.06590	6.9
79.05486	16.1
81.07072	17.4
83.04993	14.4
83.08626	52.0
85.59321	5.0
87.57974	5.9
88.07632	22.3
91.05486	22.6
93.07040	24.6
95.04976	50.0
95.08616	25.0
97.06519	28.7
98.22652	9.0
99.04451	5.8
105.07012	33.2
107.08591	40.7
109.06520	7.9
109.10162	16.8
111.17945	5.6
113.09622	13.5
117.07037	10.0
119.08599	14.6
121.06503	11.0
121.10142	8.1
123.08108	9.8
123.40086	5.7
125.09659	28.9
128.06168	6.7
129.06992	9.9
131.08569	16.7
133.10146	6.9
135.08076	6.5
137.09727	6.0
139.11179	11.1
142.07813	9.2
143.08542	24.4
145.10109	20.2
149.09627	5.8
155.08601	7.2
155.10672	13.2
157.10144	32.9
159.08099	15.1
159.11697	9.9
168.09373	5.4
169.10114	12.4
171.11719	10.1
172.08920	9.8
173.09656	12.9
179.14401	9.0
181.12285	11.8
183.11674	7.2
185.13319	14.0
187.11121	6.6
195.11690	20.6
195.13727	10.0
197.13237	7.4
199.14836	6.1
209.13292	8.6
211.11171	5.9
211.14899	7.6
213.12720	31.3
227.14458	7.6
233.13257	5.9
233.15488	11.4
259.42685	6.2
279.17557	9.7
298.19446	12.0
337.46063	5.6
381.19113	8.9
381.24231	100.0
382.24344	5.8
398.36273	29.9
399.36462	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48239	0.7
51.48554	0.6
53.03913	0.9
54.37826	0.7
55.01869	1.9
55.05509	12.8
57.03435	1.8
57.07074	3.8
59.04976	0.8
67.05162	0.9
67.05503	11.4
69.03425	3.3
69.07062	11.5
70.55803	1.5
71.04978	2.2
71.08623	12.7
79.05492	9.9
81.07053	20.2
83.04970	1.4
83.08612	3.3
85.06525	2.4
91.05482	7.6
93.07037	16.3
93.57030	0.8
95.02707	0.7
95.04961	8.0
95.08601	13.6
97.06519	3.0
97.10158	2.6
99.08089	12.6
105.07025	13.0
107.04925	1.0
107.08598	13.3
109.06509	23.2
109.10149	4.8
111.08055	1.5
117.07008	2.1
119.08566	11.1
121.06490	12.8
121.10141	7.1
123.08083	3.5
123.11691	3.0
125.09608	1.0
129.07031	1.0
131.08536	6.7
133.10112	3.9
135.08023	7.4
135.11688	2.0
137.09602	2.1
139.11163	2.8
143.08562	1.3
145.10077	5.7
147.08047	1.1
147.11667	4.6
149.09627	3.9
149.13206	2.3
151.11147	0.9
155.08481	0.9
157.10162	0.8
159.11674	3.7
161.13264	4.4
163.11176	7.6
163.14819	1.7
165.12750	44.0
166.13072	0.9
171.11642	1.2
173.13261	4.0
175.11211	0.9
175.14827	2.8
177.12712	9.1
177.16360	0.8
179.14302	1.4
181.15854	8.5
183.11674	1.4
187.14888	1.7
189.12695	1.5
189.16365	1.2
191.14287	9.5
197.13126	1.6
205.15723	1.0
209.15289	1.2
215.14441	0.8
233.15425	1.7
243.21008	1.9
251.16382	2.0
251.23610	1.2
253.19565	1.5
261.22134	21.4
262.22546	1.6
271.20560	3.2
279.23172	3.7
289.21597	100.0
290.21890	7.0
307.22644	24.9
308.23154	1.3
363.25232	15.5
364.25571	1.0
381.26334	62.2
382.26736	5.7
399.29202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03439	8.7
59.05011	0.9
61.02927	2.0
69.03435	3.6
69.40074	0.6
71.01381	0.9
71.05000	64.8
72.05313	1.4
73.02911	2.3
75.04493	4.9
81.03427	0.8
83.04989	8.7
85.02912	100.0
86.03243	1.3
86.09747	0.9
87.04453	1.9
91.03984	1.0
93.07047	0.8
97.02914	5.5
99.04451	2.0
103.03948	1.0
109.02895	1.5
111.04447	6.7
118.40755	0.7
121.15945	0.7
127.03922	5.2
129.05492	42.2
145.04961	6.6
146.08116	1.1
147.06535	24.0
148.06856	0.9
152.07077	0.8
153.01804	1.1
163.06015	3.0
164.09200	5.9
171.06410	0.8
177.05499	2.1
178.52005	0.7
181.05115	0.8
194.08060	0.8
203.06985	0.8
219.16725	0.7
231.06552	1.2
237.07674	0.9
237.13332	1.0
238.10773	1.0
239.08875	6.4
239.12662	0.8
255.08688	2.7
273.09720	1.4
309.11621	2.0
339.14194	4.5
357.15387	0.8
400.16473	3.4
401.14096	19.7
401.18066	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	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49105	1.5
55.05513	2.1
56.96566	4.2
57.03439	10.4
57.48707	1.6
59.04972	1.5
61.02928	2.8
69.03454	2.9
69.72034	2.5
69.72425	3.5
71.04996	63.0
73.02911	3.2
75.04488	3.7
82.53172	1.4
83.04977	8.4
84.34928	1.3
84.96026	2.6
85.02906	100.0
87.04467	2.6
97.02890	6.1
98.40719	1.3
98.97593	15.4
99.04463	2.6
109.02874	2.4
110.97588	3.0
111.04461	5.1
116.98632	3.9
119.08559	3.5
126.90430	1.7
127.03941	7.4
128.98630	1.9
129.05484	37.7
137.09639	3.2
140.64157	1.4
143.00067	1.8
143.15063	1.7
144.98094	2.2
145.04951	5.6
146.08165	1.5
147.06531	25.4
158.99702	3.7
163.05972	3.6
164.09180	5.0
177.00740	2.7
180.51120	1.4
201.11290	3.4
202.11589	1.6
203.11765	3.6
219.01801	4.3
237.02835	3.5
239.08958	5.4
339.14297	3.0
340.07037	3.4
358.08060	17.0
400.09103	2.4
400.16315	3.6
401.13477	14.6
401.17975	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1218
Annotation	Thymusin 6-isobutyrate
Peak:m/z	Relative Intensity
56.96550	5.5
71.10259	2.7
79.83877	2.1
81.07052	2.8
85.02922	2.6
119.08482	2.5
121.02847	2.7
123.08071	2.6
137.09674	2.4
163.11108	2.5
165.09084	2.8
165.40033	2.5
179.35406	2.4
179.67299	2.1
183.03215	2.8
188.28333	2.2
213.08040	15.0
231.09050	14.7
239.06795	12.2
257.07022	15.8
269.13535	3.0
275.07797	7.4
401.11765	100.0
401.16248	12.7
401.21317	13.8
402.12155	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	401.1425
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
56.46583	0.7
56.69333	0.8
62.71371	0.7
66.25185	0.7
70.06567	0.7
71.14944	1.1
84.08158	1.0
86.98279	0.9
100.41677	0.8
130.06494	1.0
161.09695	1.0
165.05266	1.0
176.07057	1.1
177.08899	7.8
185.04260	4.1
221.07851	3.5
222.07574	2.8
239.08922	81.5
240.09216	3.3
279.81961	0.9
321.13202	1.2
339.14163	22.7
340.14478	1.9
401.14050	100.0
402.14560	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	401.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45922	0.5
57.32097	0.5
66.74010	0.5
67.05501	0.6
68.93511	0.5
69.03419	1.2
81.03413	0.8
81.07062	0.7
83.04984	0.7
85.02888	2.2
91.05479	0.6
92.85670	0.5
93.07045	0.7
95.04971	1.3
97.02878	0.9
105.07019	0.6
107.08577	1.0
109.02834	1.2
109.10165	0.8
119.08594	0.6
121.10084	0.5
123.08041	1.0
125.05997	0.5
127.03863	0.8
133.10097	0.7
137.09615	0.8
151.11157	1.4
164.00598	0.6
165.09053	0.6
179.10640	1.2
197.11722	1.6
205.08702	1.0
221.11707	1.1
239.12566	4.1
303.15939	1.1
317.19205	0.5
342.88062	0.5
357.18835	14.0
368.87442	0.6
401.17770	100.0
402.18134	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	402.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57911	2.0
61.02936	2.6
65.03935	2.7
69.03423	6.1
79.05516	2.7
81.07059	5.1
85.02915	24.7
85.06549	18.9
93.07044	3.5
95.08606	3.6
97.02896	7.8
99.04433	2.6
109.02901	4.0
121.02878	61.1
121.03761	3.0
122.03246	2.8
123.08022	1.8
127.03951	8.4
139.03908	100.0
141.34361	2.0
145.04967	12.3
149.02362	25.2
149.09709	2.4
223.09692	4.3
259.12210	4.0
402.27197	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	403.1965
Annotation	Spionoside B
Peak:m/z	Relative Intensity
52.69965	7.4
57.03438	9.0
59.05001	12.3
61.75745	7.7
67.05505	14.5
69.03448	9.6
70.63850	9.8
70.64207	13.2
71.04992	11.6
79.05491	8.6
79.69257	6.9
81.07059	14.5
83.04980	10.4
85.02918	41.8
87.92987	10.0
91.05482	17.4
93.07049	29.2
95.04992	24.7
95.08638	31.6
99.04428	41.0
105.07027	11.7
107.08613	26.2
109.06512	61.9
109.10173	25.7
111.08095	19.6
113.05943	8.9
119.08628	21.5
121.06524	36.9
121.10159	18.8
123.08098	14.3
123.11679	11.5
125.09640	15.4
127.03918	8.8
135.08069	25.3
137.09608	48.5
139.11215	10.1
145.10144	14.2
147.08084	10.0
147.11716	9.9
149.06009	12.1
149.09647	33.0
151.11211	29.2
153.09094	23.2
159.11708	14.0
163.11237	22.1
165.09119	18.2
171.11658	10.5
175.11195	41.4
177.12788	9.0
179.10701	19.0
189.12772	10.2
193.12263	87.2
205.12292	34.7
207.13823	49.2
211.13266	31.9
223.13306	83.9
231.08441	7.9
241.14426	23.9
249.25945	7.9
288.13208	8.0
336.47906	9.7
403.15118	100.0
403.20370	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05513	5.0
57.03440	4.8
61.02931	5.7
61.14826	1.8
63.61659	1.8
67.05508	20.0
69.03424	12.5
69.07093	3.1
70.51654	3.0
71.05003	4.3
71.40512	1.9
72.97693	1.7
75.44675	1.7
76.06210	1.7
79.05501	5.3
81.03432	4.1
81.07062	9.8
83.05002	11.7
85.02913	38.7
91.05489	6.4
93.07038	8.5
95.04978	8.7
95.08643	3.0
97.02894	8.4
97.06593	4.7
97.10187	3.3
98.22818	2.1
99.04467	3.6
105.07025	4.5
107.08592	13.3
109.02900	5.0
109.06544	7.4
109.10165	79.4
111.04494	3.1
111.08103	25.3
113.06047	2.2
113.94920	1.7
119.08588	7.0
121.06506	7.1
121.10168	13.6
122.07302	9.0
123.04422	3.7
123.08091	7.9
125.09629	27.9
127.03963	8.3
127.07629	2.3
131.70201	1.9
133.10176	5.2
135.08078	8.4
135.11711	3.0
137.09624	100.0
138.10130	1.7
139.07562	8.7
139.11201	7.1
145.04996	8.8
149.09616	9.7
149.13194	2.6
151.11223	2.3
153.09113	39.1
153.10274	3.0
157.08611	2.6
159.11694	6.1
161.09634	4.1
163.06087	2.4
163.11250	5.5
165.09116	5.9
167.10695	74.2
168.11053	2.3
177.12775	7.3
179.10680	21.3
183.10178	2.1
195.13925	3.4
197.11800	4.6
205.12265	5.6
223.13371	7.5
241.14334	32.9
270.22336	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	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15053	2.1
53.03944	2.9
55.05511	9.9
57.03432	4.1
59.05002	4.5
59.56853	2.4
61.02933	3.6
61.08316	2.2
67.05503	26.2
69.03429	14.2
69.07053	3.8
69.87180	4.6
69.87543	5.1
71.05009	3.9
79.05516	6.2
81.03438	6.1
81.07071	11.9
83.04991	18.6
85.02919	29.3
89.05990	2.8
91.05498	8.7
93.07060	10.1
95.04967	12.0
95.08614	7.5
97.02899	5.6
97.06544	6.1
98.92931	2.2
99.04492	4.0
105.07031	9.3
105.85403	2.1
107.08588	17.0
109.02820	2.6
109.06509	8.2
109.10170	84.6
109.99857	2.0
110.10473	2.3
111.04402	2.2
111.08084	35.9
117.07075	2.7
119.08585	10.2
121.06490	10.8
121.10139	21.0
122.07280	9.1
123.04428	6.0
123.08089	16.4
123.11708	3.1
125.09630	27.3
131.08571	3.9
133.10149	8.6
135.08099	13.6
135.11740	4.6
137.09618	100.0
138.09926	2.8
139.07559	10.6
139.11218	8.4
142.53876	2.5
143.08589	4.4
145.04979	6.7
145.10109	5.5
147.08026	3.5
149.09656	14.6
149.13187	2.7
151.11168	4.4
153.09114	42.7
159.11690	7.8
161.09628	7.6
163.11154	12.0
165.09164	7.6
167.10693	66.1
168.11058	3.7
171.11719	3.6
173.91051	2.3
177.12755	11.6
179.10675	23.0
187.11099	3.9
189.12766	6.2
195.13896	2.9
197.11725	2.4
205.12260	14.7
206.09019	2.9
207.13803	23.0
223.13231	11.4
241.14340	28.8
295.24338	2.7
326.04001	2.6
403.15012	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	403.1963
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.05500	11.4
67.05490	6.7
69.03414	4.6
69.07066	5.2
69.50079	7.0
69.50475	5.0
71.04985	7.9
77.85568	2.4
79.04991	2.5
79.05491	10.9
81.07047	15.8
83.04961	14.7
83.08614	64.5
84.08975	2.5
85.02888	6.1
91.05465	8.5
93.07053	8.7
95.04963	4.5
95.08601	17.3
97.02890	36.1
99.04443	6.8
105.07034	11.3
107.08589	100.0
109.06461	5.9
109.10153	6.7
111.08028	4.6
119.08572	18.5
121.10104	13.1
123.08055	6.9
123.11681	4.6
125.06008	6.2
125.09625	80.5
125.10514	5.6
131.08575	4.7
135.11676	14.5
137.09596	9.5
139.07527	5.8
143.22664	2.6
145.10081	8.4
147.08084	13.1
147.11674	12.3
149.09601	4.4
151.07559	8.0
153.12752	12.8
159.11679	12.2
161.13275	5.5
163.11182	25.3
165.09125	16.7
165.12805	10.2
177.12749	12.3
181.12209	54.1
187.11156	3.5
189.12801	14.9
195.13913	3.2
205.12215	25.7
207.01843	3.5
207.13800	26.6
215.14464	2.7
223.13278	89.4
224.13457	5.2
225.14841	17.7
295.92120	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	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16533	0.6
55.86068	0.6
56.96565	15.3
94.04166	1.7
95.08649	0.6
98.97581	100.0
99.97911	1.0
109.06499	0.6
116.98620	58.4
122.03641	3.8
134.99660	25.6
135.00722	0.9
137.05978	51.2
138.06267	1.2
140.00200	6.3
153.00674	2.2
158.01282	3.1
160.99101	0.9
171.14307	0.7
179.00121	1.8
193.01761	0.9
197.01202	2.6
198.02069	0.8
208.10022	1.6
211.02806	1.0
220.00531	3.2
222.39621	0.7
224.09482	2.8
226.11140	20.0
235.02769	66.1
236.03107	2.0
238.01488	3.0
242.10646	1.5
244.12187	8.2
245.05934	0.8
253.03839	87.9
254.04204	2.5
267.13770	1.3
268.12180	2.9
271.04929	3.6
276.05399	14.4
277.05786	0.6
280.12262	1.9
286.13086	0.9
329.12817	1.6
343.17233	0.7
344.15277	5.5
362.16385	2.1
374.09653	0.9
381.75500	0.8
404.17407	94.0
405.17682	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.05509	2.4
59.05004	2.9
66.96433	2.1
68.61842	1.9
69.03416	5.5
69.07069	3.9
69.16879	9.7
71.04991	6.3
79.05487	2.9
81.03393	2.1
81.07052	4.6
83.04967	6.2
83.08626	1.9
85.02929	12.3
89.80748	2.0
91.05492	2.1
93.07068	4.3
95.08604	7.8
97.02899	4.2
97.06522	7.2
99.04464	4.6
99.08095	4.4
105.07059	4.9
107.08607	4.8
109.06531	11.5
109.10198	2.6
116.69907	1.9
119.08570	6.2
121.10146	17.1
123.08076	100.0
125.06010	6.1
127.07517	5.1
133.10127	1.9
135.11725	13.8
137.09619	4.2
137.13243	14.2
145.04994	5.1
146.80260	2.0
147.11676	4.3
149.09631	4.1
151.07570	3.5
152.32285	1.7
155.10713	2.5
160.51700	1.8
161.13249	4.7
167.03436	1.9
171.11647	2.1
179.14319	76.5
180.14656	3.9
189.12732	11.0
207.13821	19.6
225.14890	19.2
404.20016	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78949	1.3
53.76260	1.5
55.01065	1.3
55.05505	3.3
57.03431	1.8
57.07079	8.1
59.04991	2.3
61.02942	2.0
67.05509	2.1
69.03429	2.7
69.40781	4.4
71.04985	2.2
80.75975	1.5
81.07081	5.4
83.04978	6.0
85.02920	16.2
85.06532	7.6
91.05473	3.4
93.07069	2.6
95.08593	4.3
95.99424	1.6
97.06554	4.0
98.22945	5.9
105.07030	5.5
107.04999	1.6
107.08601	8.5
109.06535	12.3
109.10181	3.3
111.08098	4.6
119.08623	7.6
120.09013	1.4
121.10175	12.4
123.08077	71.9
123.11683	12.8
125.05918	1.6
133.06517	1.7
133.10107	2.3
133.82411	1.5
135.08092	5.3
136.68178	1.6
137.09622	19.7
139.11197	6.9
143.08514	1.7
145.04987	3.3
145.10100	2.4
147.08047	9.1
147.11697	11.2
149.09608	7.5
151.07556	30.9
156.09286	2.5
161.13263	7.8
163.11150	2.7
165.12770	72.2
166.13148	3.4
171.11673	8.3
174.10416	3.5
179.14340	5.1
189.12747	44.5
207.13817	100.0
208.14214	2.5
225.14922	4.4
289.31360	1.6
426.80051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.4
55.06369	1.2
55.57595	1.1
57.03431	1.4
58.85896	1.1
62.34529	1.4
67.05502	2.0
69.03452	1.3
69.07088	1.5
69.58986	3.0
69.59368	2.5
79.05480	2.0
81.07055	5.3
82.99091	1.3
83.04993	7.1
85.02903	19.7
91.05484	2.3
93.07053	3.4
93.25461	1.2
95.04968	1.5
95.08610	3.3
97.06545	3.5
105.07040	6.0
107.08586	7.5
109.06511	16.4
109.10160	2.8
111.08093	3.2
119.08605	7.8
121.07832	1.1
121.10147	14.3
123.08035	6.4
123.11695	17.1
133.10112	1.8
135.08032	2.5
135.11711	1.6
137.05952	1.1
137.09607	29.1
138.77394	1.1
145.10100	3.0
147.08055	2.8
147.11684	16.4
149.09615	6.5
151.07521	2.5
151.11224	1.2
161.09692	1.3
161.13220	7.7
163.11198	6.6
165.12752	100.0
166.13072	3.6
171.11705	3.0
174.10439	1.9
179.14334	7.8
186.52812	1.3
189.12744	20.4
207.13792	48.6
208.14127	2.2
225.14896	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90947	1.0
57.07068	1.5
59.82685	0.9
63.44955	0.9
67.05524	2.9
68.48498	1.0
69.03436	3.6
70.83612	1.6
79.05508	2.0
81.07066	14.4
83.08615	1.2
85.02912	83.0
85.06594	1.3
91.05479	3.0
93.07072	3.0
95.08588	5.4
97.02909	2.7
100.37675	1.1
105.07059	5.6
107.08591	5.1
109.06547	2.9
109.10168	11.0
119.08607	10.0
121.10152	9.1
123.08104	2.8
123.11716	100.0
124.12055	2.6
125.05989	6.1
125.09637	1.2
131.08601	1.3
133.10178	1.1
137.09619	5.3
138.09853	1.3
141.05482	1.4
145.04994	1.8
145.10144	3.6
147.08055	3.0
147.11688	11.3
149.09647	8.1
151.07607	3.3
156.09389	2.0
159.11725	1.3
161.13295	2.0
165.12794	2.0
167.10710	1.9
171.11678	2.5
189.12743	22.7
189.14314	2.0
190.13109	1.3
207.13818	67.3
208.14174	4.5
225.14894	18.2
233.33907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25452	1.9
54.28407	1.7
55.05508	3.5
58.46956	1.8
60.78514	1.8
67.05505	2.7
69.03432	5.0
70.53831	2.0
71.05011	3.0
81.07062	2.2
85.02919	9.8
85.06542	7.6
91.05491	3.7
93.07011	4.0
93.39032	1.7
95.04964	5.5
95.08591	7.0
97.02896	2.8
105.07057	7.0
107.08595	7.7
109.02800	1.9
109.06519	100.0
109.10165	3.9
119.08578	9.7
121.10131	13.9
123.08083	17.7
127.03864	3.3
131.08566	16.8
137.09650	12.9
145.10152	4.6
147.08092	5.5
147.11699	11.3
149.09621	33.2
151.07536	68.3
151.08749	4.0
152.07930	2.1
161.13258	5.9
165.12752	3.3
171.11673	5.0
189.12758	29.4
207.13812	77.6
225.14850	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
59.04991	1.2
61.02926	2.1
69.03436	13.3
69.36954	5.1
73.02917	1.0
78.22367	0.8
79.05503	1.3
81.03426	2.9
85.02916	14.1
91.05489	7.7
95.04981	3.8
95.08607	3.1
97.02917	6.4
97.67059	0.9
98.22803	2.0
99.04518	0.9
100.32331	0.8
105.07063	5.4
107.08610	1.9
109.02876	1.8
109.05857	1.5
109.06541	20.7
109.10136	1.0
111.08102	1.1
119.08579	9.1
121.10157	3.9
123.08086	8.0
123.11745	0.8
127.03913	4.0
129.07010	1.7
131.08586	25.2
132.08891	1.2
133.06502	3.3
133.10081	1.3
135.08084	1.8
137.09601	1.6
143.08505	2.4
145.04938	1.9
145.10147	1.8
147.08060	20.8
147.11629	1.2
149.09624	4.3
151.07558	100.0
152.07899	3.7
156.09354	3.5
159.11697	1.0
161.09660	2.5
161.13239	1.0
163.11197	6.1
165.12747	1.2
171.11674	10.5
189.12766	33.7
190.13139	2.6
203.14313	1.2
207.13829	73.5
208.14180	3.4
225.14905	1.1
231.13821	2.4
369.19083	15.3
370.19281	1.5
423.51462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17090	1.8
53.03933	2.3
55.05511	8.7
57.03418	2.1
57.07078	24.6
57.38829	1.7
59.05027	1.7
61.78089	1.8
67.05499	11.7
69.03432	6.0
69.07060	11.2
69.44861	7.5
70.23920	1.9
71.04979	3.1
72.63433	2.0
79.05495	25.4
81.03428	8.0
81.07059	60.5
83.04977	31.3
83.08614	3.5
84.05470	1.7
85.02916	13.5
85.06542	3.7
91.05466	13.3
93.07055	20.8
95.04971	8.5
95.08601	27.2
97.02904	3.0
97.06552	7.4
97.10194	3.2
105.07021	26.7
107.08600	23.6
109.06518	68.8
109.10145	14.9
111.04426	3.8
111.08083	3.2
113.06011	3.0
117.07047	3.7
119.08579	43.0
121.06491	10.9
121.10152	36.6
123.04464	6.1
123.08061	27.4
123.11687	12.4
125.05969	16.6
125.09631	36.8
127.03894	2.8
131.08575	6.8
133.10138	9.7
135.08038	8.0
135.11691	7.8
137.06004	2.1
137.09602	10.5
137.13232	4.2
145.10078	3.5
147.04408	2.3
147.08054	7.7
147.11681	29.5
149.09648	18.5
151.07571	8.4
151.11171	3.6
151.14824	3.2
156.09329	4.5
159.08051	2.1
161.06070	2.5
161.13251	43.1
162.06343	2.4
163.11201	11.7
165.12749	3.8
171.11610	4.6
174.10432	2.6
177.12755	15.3
179.14308	17.7
180.72311	1.8
189.12714	23.4
207.13797	100.0
208.14087	4.5
219.36534	1.9
225.14890	2.8
231.06406	2.0
231.50189	2.0
272.10376	1.9
404.17368	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.3
57.03441	2.0
59.05000	1.6
61.02942	3.2
67.05511	3.1
69.03434	9.6
69.07076	1.4
69.21190	7.9
71.05003	5.1
73.02928	1.5
79.05512	1.7
81.03446	1.4
81.07068	3.4
85.02917	19.6
85.06575	1.4
85.41988	1.4
91.03930	1.5
91.05465	7.1
93.07050	6.6
95.04994	3.9
95.08620	4.9
97.02908	5.7
97.06558	2.3
99.04485	3.6
105.07050	9.9
107.08615	4.9
109.02853	1.5
109.06512	15.5
109.10172	10.4
119.08566	18.8
121.10145	57.0
122.10512	1.7
123.08087	14.5
123.11713	2.0
125.06104	1.2
127.03944	3.2
129.06981	1.9
131.08577	15.3
133.06517	1.9
133.10120	6.5
135.11705	4.2
137.09613	9.5
137.13271	2.0
145.04878	1.8
145.10118	4.0
147.08043	18.5
147.11707	13.5
149.09618	32.5
151.07547	52.3
151.08743	2.8
152.07870	1.7
156.09412	4.1
159.11787	1.7
161.09650	1.7
161.13261	43.0
163.11073	6.2
165.12808	4.1
171.11690	8.7
174.10394	2.1
179.14297	10.6
181.12398	1.4
181.84114	1.3
189.12744	57.5
190.13171	3.1
206.15353	1.8
207.13809	100.0
208.14166	5.1
224.16484	5.7
225.14856	69.3
226.15187	4.0
267.70685	1.3
369.18839	7.3
415.24173	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	404.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70116	1.9
50.79436	1.9
53.54375	2.0
60.76541	1.8
62.40591	2.2
62.88449	1.9
68.46715	1.9
69.03448	2.2
70.83383	3.4
79.05494	1.9
81.07076	3.8
85.02895	15.6
91.05499	4.4
93.07068	3.2
97.60032	2.0
98.22780	2.2
98.23338	2.5
105.07049	10.6
107.08617	5.5
109.06527	5.6
119.08596	11.1
121.10147	16.2
123.08077	5.6
123.11726	10.6
131.08601	6.2
133.06532	4.7
133.10091	2.8
135.08032	4.2
143.08604	4.3
145.10135	16.7
147.08099	7.9
147.11710	23.3
148.58313	2.0
149.09641	15.1
156.09454	10.0
161.13286	3.4
163.11108	2.9
165.09158	2.8
171.11719	14.7
189.12759	100.0
190.13078	3.0
193.08664	4.1
207.13814	47.5
225.15060	2.5
292.27588	2.5
296.53958	2.1
326.25104	2.5
354.51047	2.2
419.24005	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92847	0.8
54.61157	0.8
55.05486	1.1
56.75134	0.8
62.40768	1.0
62.93933	0.9
64.19903	0.8
67.05507	1.3
67.68710	1.0
69.03429	1.0
71.04993	4.4
72.10966	0.9
79.05502	1.8
81.03412	1.1
81.07052	1.8
83.04979	3.1
83.08596	2.5
85.02917	6.7
87.04480	4.3
91.05483	3.1
93.07032	2.6
95.04960	4.3
95.08614	1.9
97.02858	1.0
98.23428	2.7
99.04467	7.3
105.07003	2.2
107.08596	34.6
108.08972	1.2
109.06525	4.2
119.08588	1.1
121.10139	8.3
123.08068	100.0
123.11700	5.4
124.08387	4.5
125.06000	3.1
125.09627	24.7
125.10507	1.6
131.08556	3.4
133.06528	0.9
139.11177	3.8
145.10129	1.2
147.11716	1.8
149.09613	35.9
149.10808	1.8
150.09822	1.1
151.07568	4.8
163.11168	1.0
165.12729	4.4
167.10669	11.7
171.11789	0.9
183.13843	3.9
189.12773	7.1
207.13774	10.9
207.15327	1.2
208.13873	1.0
225.14854	69.2
226.15211	3.7
229.19482	0.9
237.14888	2.1
249.14879	3.1
275.41162	1.1
417.38345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22356	5.2
55.05509	29.8
57.03436	19.8
58.42285	4.9
67.05508	72.4
69.03425	7.5
69.07059	20.9
71.04984	5.7
71.08636	16.7
72.73914	5.0
79.05495	44.8
81.03355	4.8
81.07057	67.8
83.04984	13.9
83.08620	12.8
88.29749	5.1
91.05484	28.0
93.07031	55.0
95.04967	17.7
95.08096	5.2
95.08603	33.2
97.06529	13.6
97.10160	10.0
98.22607	11.3
99.08073	29.9
103.12681	5.2
104.99268	15.5
105.07040	18.0
107.08575	31.0
109.10155	12.2
111.08088	9.6
117.07045	7.8
119.08575	11.7
121.10156	25.0
123.08045	6.6
125.09612	5.7
131.08582	10.2
133.10139	17.9
135.11693	11.2
149.13252	22.7
151.11221	13.2
159.11690	21.1
161.13275	16.4
163.11095	8.3
173.11746	7.9
177.12781	22.5
179.14294	8.4
227.12814	17.0
241.19672	9.5
259.20483	13.1
262.98038	5.7
269.17471	100.0
277.21857	11.9
322.99030	6.6
351.25278	35.9
404.14661	6.4
404.20605	13.4
415.14490	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	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19935	0.7
50.70601	0.6
53.03948	2.9
55.01872	2.1
55.05517	1.5
56.05037	1.4
57.03437	3.6
58.99599	0.9
65.03949	2.3
66.82186	0.8
67.05508	30.2
68.97916	0.7
69.03434	14.3
69.07063	1.8
69.13003	4.5
70.27238	0.7
71.01359	7.0
71.04999	79.9
73.02909	1.5
76.02233	1.8
76.12186	0.6
79.05486	2.0
81.03419	8.0
81.07078	3.2
82.06574	0.8
83.04983	1.9
84.04499	2.2
85.02912	61.3
85.06549	1.7
86.99075	0.8
87.04448	0.9
89.02402	15.0
89.06039	1.9
91.05509	1.7
91.87218	0.6
92.82301	0.7
93.07059	0.9
95.04974	59.4
95.08614	1.6
96.05315	1.6
97.02274	0.9
97.02901	15.5
97.06567	0.9
98.09698	2.2
98.22627	1.2
98.23326	2.9
99.04472	7.3
99.08092	0.8
105.07021	2.0
107.04989	0.8
107.08552	1.6
109.02898	9.2
109.06507	1.4
109.10176	1.6
111.04453	2.6
113.06013	100.0
114.06364	3.3
116.01692	2.6
119.08597	2.0
121.10129	1.3
123.04391	1.1
123.08099	1.3
127.03924	20.4
129.05472	1.2
131.01237	0.6
131.07050	85.1
132.07368	2.2
133.06474	0.9
133.10124	4.3
135.08109	0.9
137.09624	1.0
139.11235	1.1
143.08539	0.9
144.01125	1.0
145.04970	16.4
147.08064	1.7
149.09660	0.7
151.07524	2.1
156.08414	1.5
156.10263	1.6
161.09648	1.9
162.02168	1.8
163.11166	0.8
164.76088	0.7
165.09096	0.9
169.05029	0.8
173.04495	0.7
173.08084	1.6
173.13353	1.6
174.09525	1.2
179.10738	0.7
186.35110	0.7
189.09096	1.6
189.12781	1.0
191.14326	2.8
197.04478	1.1
207.10353	1.0
207.13823	0.9
209.15366	5.3
221.08150	0.9
225.11290	1.0
225.14929	0.9
239.09158	5.9
244.05836	5.1
257.10233	23.5
258.10526	1.2
259.11136	14.8
275.11227	3.6
331.13300	0.9
387.16449	13.4
405.16931	3.2
405.21667	1.3
406.11172	10.0
406.16458	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	406.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01869	1.9
55.05510	1.4
56.05041	5.7
57.01793	0.6
57.03443	4.4
58.99590	9.2
63.55962	0.6
68.05021	1.2
69.03416	0.7
69.07062	1.2
70.32336	0.6
72.08118	0.6
73.01128	2.2
74.00658	1.7
76.01809	1.0
76.02235	17.6
76.04019	1.3
79.05498	4.7
81.07066	15.8
83.06100	1.2
84.04024	1.2
84.04515	20.7
85.01126	2.3
85.02870	0.7
86.00668	4.7
86.09720	1.2
86.99062	5.2
87.02692	5.0
88.02205	2.3
93.07073	0.8
94.06571	1.0
94.39439	0.6
95.08599	2.8
97.01126	0.8
97.06533	1.7
98.09697	10.7
99.08088	2.9
99.63214	0.7
100.38503	0.6
102.05556	3.7
105.07014	2.0
107.08602	1.0
110.09687	1.3
112.03984	2.4
113.04227	5.0
114.03760	0.8
115.05800	1.8
116.01686	17.5
122.09663	1.2
123.08067	1.0
127.05759	1.4
129.06602	2.2
130.05022	6.2
130.06850	3.8
130.08649	1.7
131.08580	2.4
133.06482	1.7
133.10173	1.5
135.06432	0.7
139.05734	2.1
142.03250	1.4
143.02742	0.8
144.01151	7.5
145.10132	0.9
146.02658	0.7
151.07578	4.6
155.78641	0.6
156.08438	15.2
156.10205	9.6
157.06816	6.8
162.02209	17.7
167.07069	2.1
174.09511	12.2
179.04871	7.6
179.88547	0.7
189.03311	1.6
191.14244	0.7
209.08073	1.0
209.11769	4.4
209.15408	1.4
210.11232	1.7
212.78394	0.6
215.04846	0.7
216.06903	5.5
219.60223	0.6
227.09079	0.8
227.16518	1.3
233.05940	1.7
245.05945	1.2
259.11139	100.0
260.11462	2.7
277.12177	1.3
285.12625	1.5
308.09271	1.1
313.12018	4.5
331.13150	5.8
379.42487	0.6
388.15201	1.4
406.16486	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	406.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
57.03448	0.9
61.02919	1.2
61.40778	0.5
69.03434	7.0
70.51691	1.3
71.04998	15.7
71.91309	0.6
73.02942	1.0
81.03419	5.4
83.04992	1.5
85.02915	12.7
89.06036	100.0
90.06373	1.2
97.02267	1.4
97.02901	28.0
98.23053	1.4
99.04467	5.1
101.60151	0.6
103.03942	0.9
107.06982	0.6
108.04578	0.8
109.02891	9.9
111.04462	1.3
127.03922	15.6
135.06538	13.0
145.04967	15.7
146.05318	0.7
149.71896	0.7
152.87126	0.6
163.06073	0.9
167.07091	0.7
177.05386	1.2
197.08122	2.4
197.59808	0.6
202.17639	0.6
208.20073	0.7
215.09143	2.9
217.07140	1.3
219.06589	1.3
219.08539	0.9
233.10258	1.2
239.84564	0.8
243.08690	2.8
244.05869	1.5
251.11282	1.5
261.09741	10.6
279.10791	4.7
309.41705	0.7
353.88553	0.6
406.11212	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	406.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
57.03434	1.4
61.02930	0.9
69.03438	8.1
70.88498	1.0
71.04998	15.6
71.21191	0.6
71.27280	0.5
73.02933	0.6
76.02219	0.7
80.71011	0.5
81.03423	3.7
81.07053	0.7
85.02909	18.8
87.04477	0.6
89.06037	100.0
90.06384	0.9
97.02896	11.2
99.04462	4.0
109.02895	2.1
109.64368	0.6
111.04510	0.6
115.03928	0.6
115.04861	0.6
116.01681	0.6
127.03929	14.2
127.28972	0.5
133.10168	1.4
135.06525	8.0
145.04956	10.7
146.63460	0.5
153.01891	0.8
155.06993	0.7
156.08464	0.6
163.06049	2.9
167.07098	1.1
168.68071	0.6
173.13318	0.9
191.14331	1.3
197.08141	1.7
209.15361	1.6
215.09192	3.5
217.07095	1.6
217.66513	0.5
227.09013	0.9
233.10204	3.1
239.50223	0.5
243.08658	0.6
244.05823	1.0
251.11299	3.1
259.11157	2.7
261.09625	2.6
279.10748	12.1
299.79123	0.6
307.44046	0.6
352.96423	0.6
353.88547	0.5
406.11121	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	406.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
57.03433	1.4
61.02926	1.5
65.09299	0.5
69.03432	7.7
69.44118	1.8
69.70544	0.5
71.04995	16.5
75.31348	0.5
81.03419	7.3
82.88225	0.6
83.01358	0.6
83.04991	2.0
85.02911	9.3
86.63814	0.7
89.06036	100.0
90.06356	1.1
97.02900	36.4
98.03232	0.7
98.23166	2.4
99.04461	5.4
101.15556	0.5
103.03960	1.0
108.04439	0.7
109.02888	12.9
111.04436	0.6
115.03944	0.7
123.04453	0.8
127.03924	15.0
135.06535	15.8
145.04965	18.3
147.04424	0.5
163.06061	0.7
167.07034	1.1
177.05476	1.2
177.07652	1.3
186.47800	0.5
197.08141	2.1
198.08485	0.6
198.38536	0.6
199.05971	0.8
201.05482	0.7
215.09256	2.1
217.07181	0.8
219.06631	0.7
219.08720	1.8
233.10332	0.6
243.08684	3.0
251.11227	0.6
261.09723	15.3
279.10757	2.0
414.56052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01879	6.7
55.05501	4.1
56.04331	1.7
57.03435	2.3
61.02936	2.2
65.03915	1.9
67.05505	5.5
69.03432	11.4
71.05001	5.8
71.44376	1.8
79.05488	6.9
81.03429	4.2
81.07068	11.2
83.04995	2.5
85.02906	11.2
85.06549	4.2
86.42293	2.1
91.05494	15.4
93.07049	24.3
95.04978	5.5
95.08607	7.7
97.02903	8.3
97.06527	6.3
99.04457	18.8
105.07037	23.1
107.08606	44.5
109.02888	8.5
109.06534	7.2
109.10179	4.4
111.08111	5.0
113.05997	2.0
117.07062	3.6
119.08599	9.1
121.06535	9.2
121.10155	38.1
123.08072	4.8
123.11755	2.0
127.03931	5.2
127.07619	3.0
131.08621	4.7
133.10118	3.2
135.08064	6.9
135.11754	12.4
139.11218	1.8
145.04994	2.9
145.10138	21.9
147.11662	5.0
149.05972	3.3
149.09615	10.0
149.13283	5.6
151.07529	3.6
163.11205	69.2
164.11490	2.1
165.12802	2.8
167.10698	13.9
169.08627	25.2
173.09666	6.2
173.13260	3.8
181.12251	19.4
185.11745	5.2
191.10674	62.6
191.12439	3.1
191.14230	9.6
209.11740	30.9
209.15376	26.2
227.07013	6.2
227.12794	100.0
228.13101	2.6
245.58646	1.9
353.15982	6.7
371.17130	3.2
377.10629	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05513	6.8
56.05027	2.9
57.03432	3.5
57.07067	5.2
58.99582	2.8
64.77701	2.1
67.05502	11.0
69.03426	6.4
69.07069	16.3
69.75404	2.1
71.04989	6.9
76.02248	5.4
79.05493	17.7
81.03426	4.5
81.07061	25.2
83.08623	7.0
84.04508	7.2
85.02900	12.5
85.06545	41.9
87.02692	2.7
91.05478	18.3
93.07047	33.3
95.04945	5.2
95.08618	27.2
97.02900	2.8
97.06542	3.0
98.09708	3.1
98.22643	6.6
99.04446	3.5
99.08080	2.6
105.07038	26.7
107.04923	3.2
107.08596	100.0
109.06519	10.4
109.10152	6.9
111.04391	3.2
111.08124	3.9
111.51698	2.3
116.01679	6.4
117.07032	6.6
119.08578	24.8
121.06514	19.6
121.10139	32.2
123.08062	4.1
123.11673	2.4
127.03885	2.8
129.06938	3.7
131.08568	57.3
133.10130	30.0
135.08043	13.4
135.11703	14.6
137.09583	4.5
143.08551	4.9
145.04935	2.3
145.06293	2.4
145.10132	24.7
147.08061	2.6
147.11696	15.7
149.09599	23.2
149.13269	2.4
156.08397	5.1
158.10907	12.1
161.13275	2.9
162.02199	9.0
163.11154	8.1
163.14819	99.0
164.15102	2.7
165.09116	3.3
167.10678	9.0
173.09789	2.6
173.13269	71.8
173.14781	3.6
174.13623	4.1
175.14789	4.9
176.41920	2.2
179.04932	3.5
191.10664	19.6
191.14319	65.7
191.15962	4.7
209.11714	25.2
209.15424	4.7
215.08330	2.8
216.08543	2.8
227.12776	49.9
228.13165	3.2
243.07567	4.1
244.07932	6.1
251.67218	2.2
257.20517	2.4
259.11133	33.0
407.07761	2.5
407.13171	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19590	2.0
55.01875	2.2
55.05501	5.0
57.03444	3.2
61.74352	1.6
67.05505	3.8
69.03432	4.1
69.07062	6.8
69.38838	3.8
69.39224	5.6
71.04983	4.6
76.79304	2.1
79.05498	2.7
81.03408	3.7
81.07066	13.7
83.04976	2.5
83.08627	3.2
85.02902	6.2
85.06538	3.2
86.47108	1.5
91.05468	5.7
93.07043	13.9
95.04982	8.8
95.08619	11.1
95.09113	2.0
97.02876	3.0
97.06548	10.2
97.10170	4.4
98.22604	1.6
99.04453	6.1
99.08142	2.0
105.07029	13.3
107.08000	2.0
107.08606	17.9
108.33426	1.6
109.06520	16.5
109.10154	8.3
111.08096	2.7
115.07553	4.0
118.85825	1.6
119.08611	8.1
121.06506	2.4
121.10154	18.4
123.08067	4.6
123.11715	3.8
131.08549	4.6
133.10123	20.9
135.08025	3.8
135.11682	5.8
137.09528	3.1
139.11160	6.5
145.10117	6.5
147.11717	17.0
149.09605	4.1
149.13263	6.0
149.64328	1.7
151.11183	40.1
153.09149	3.8
161.13258	4.4
163.11197	8.7
163.14836	4.4
165.12775	12.7
167.07083	1.9
167.10692	2.6
169.08612	13.3
173.13263	8.3
179.14326	3.1
181.12231	4.2
183.13901	2.0
191.10728	6.0
191.14323	17.2
197.15363	2.6
209.11688	4.8
209.15378	39.5
210.15782	2.8
210.67772	2.0
227.12997	19.3
227.16414	100.0
228.16785	4.6
357.10849	1.9
389.13412	4.0
407.16904	22.9
419.43726	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66748	1.4
51.71330	1.3
55.05505	2.2
57.03446	2.1
59.04995	2.8
67.05508	2.2
69.07079	4.2
69.16225	8.5
71.04978	3.2
76.69473	1.5
79.05499	14.8
81.07063	27.4
85.02921	3.2
85.06546	1.6
91.05479	3.6
93.07028	10.7
95.08620	8.8
97.06540	4.3
98.23445	2.3
99.04465	3.0
100.45266	1.4
105.07035	5.8
107.08599	79.4
108.08923	2.7
109.06515	4.9
109.10172	2.1
113.60542	1.4
115.07548	1.8
119.06113	1.8
119.08604	6.3
121.10153	20.1
123.08089	4.5
125.09650	5.4
131.08569	2.3
133.10149	4.8
135.11720	5.4
139.11206	1.8
147.11751	2.5
149.13264	3.4
151.11214	1.9
161.13261	17.7
163.14854	7.9
173.13292	5.0
179.14316	100.0
180.14677	4.3
180.57100	1.4
191.14349	19.6
193.15834	2.0
209.15369	28.5
210.15723	1.9
227.16483	2.1
275.40601	1.6
276.55801	1.6
317.06000	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01879	2.9
55.05511	14.6
57.03430	6.0
57.13855	2.1
61.02910	4.5
65.03913	2.7
67.05500	15.7
69.03432	16.0
69.07073	19.3
71.04987	25.3
74.15310	1.8
79.05492	26.4
81.03414	10.1
81.07056	37.6
83.04969	9.9
83.08619	7.7
85.02909	32.3
85.06538	10.5
91.05476	12.5
93.07051	35.6
95.04964	11.0
95.08604	34.3
97.02890	9.3
97.06512	10.6
97.10188	3.8
99.04459	74.7
101.06005	17.4
105.07034	35.8
107.08593	89.1
108.08917	2.9
109.02876	4.7
109.06509	20.6
109.10161	14.2
111.04489	2.8
111.08096	3.8
113.06007	3.5
115.07577	2.4
117.07012	3.2
119.08589	19.8
119.32142	2.0
121.06516	8.1
121.10151	62.2
122.10452	2.3
123.08070	9.6
123.11680	5.1
125.09665	3.9
127.03908	9.5
127.07571	3.3
129.09102	3.2
131.08559	15.3
133.10135	28.9
135.08049	11.9
135.11703	17.8
136.41559	2.1
137.09656	2.5
137.13191	2.7
139.11189	8.2
145.04977	6.7
145.10121	13.5
147.11682	17.0
149.09619	7.7
149.13269	13.4
151.07578	3.9
151.11218	6.1
158.40160	1.9
161.13271	41.1
163.11188	35.8
163.14806	19.5
164.11478	2.3
165.12776	34.9
166.13055	2.1
167.10635	5.7
169.08614	17.5
173.13258	22.6
179.14305	84.1
180.14722	3.3
181.12181	11.3
185.11749	2.7
191.10684	20.1
191.14316	81.6
192.14664	3.6
197.15356	34.6
198.15480	2.8
209.11891	17.1
209.15369	100.0
210.11903	2.4
210.15744	5.0
227.12833	40.2
227.16389	42.9
228.13068	3.1
228.16945	2.8
254.00084	2.0
353.15915	7.5
371.17322	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	407.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14687	0.5
66.03468	1.0
67.04261	0.7
69.03432	0.6
69.20958	3.1
80.05035	2.9
81.03433	1.2
81.05781	0.9
85.02910	1.1
89.06030	1.8
92.03737	0.6
96.06889	1.1
97.02908	1.0
98.22706	0.9
98.97612	0.7
107.06080	20.4
108.04497	1.6
108.06892	1.5
109.07644	2.1
119.01912	0.5
121.03989	0.9
126.05501	0.5
135.05548	84.9
136.05891	1.7
153.06599	100.0
154.05049	3.8
154.07031	2.3
155.01857	1.2
155.46950	0.5
156.71942	0.4
157.03502	0.6
165.10211	0.7
173.02985	0.7
180.04022	0.5
189.77261	0.5
195.07721	1.0
203.03955	1.6
221.05031	5.4
229.05602	1.5
235.10846	1.1
247.06677	6.2
253.11829	0.9
259.06659	1.7
277.07559	2.4
279.09787	2.2
280.08087	0.7
281.11343	3.0
297.10815	10.9
298.11325	0.6
347.04114	1.0
373.85284	0.5
407.14496	93.6
408.14886	7.3
408.80905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	1.7
67.92213	0.9
69.95722	0.8
69.96057	2.1
70.06595	5.2
71.08634	1.4
72.08163	0.8
74.08389	0.8
84.08145	1.4
86.09723	1.4
88.07610	2.7
93.43669	0.8
101.33813	0.8
104.99257	0.9
132.10229	1.4
138.74437	0.7
146.11739	1.5
160.37360	0.9
216.05322	0.8
256.26425	3.4
257.26666	2.8
268.20172	0.9
300.28937	4.0
301.29413	4.4
309.16791	1.4
345.32077	2.1
365.16205	0.9
406.35233	8.9
407.24057	100.0
407.35516	21.0
408.24411	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	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	1.0
69.77316	1.2
69.77664	1.4
91.05453	1.0
93.07031	1.0
94.16041	0.6
95.04964	0.9
103.45059	0.6
116.05066	0.6
121.06496	6.7
132.10185	0.8
143.35027	0.6
145.10152	1.1
149.06004	1.1
195.11465	0.7
257.08139	0.6
274.39938	0.7
321.16846	3.8
321.20096	0.8
406.35190	2.3
407.24023	100.0
408.24323	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01869	7.3
55.05508	44.9
56.56781	2.4
59.05006	3.3
63.74482	2.7
65.03925	5.3
66.58772	3.1
67.05511	19.7
67.05801	3.1
69.03427	19.3
69.07063	11.4
70.69953	4.9
71.04996	12.3
76.07349	2.8
79.05500	21.9
81.07052	29.7
83.04975	18.0
83.08624	46.1
85.06526	3.2
87.04456	5.2
91.05487	38.4
93.07038	46.1
95.04967	100.0
95.08607	42.4
97.06528	58.4
105.04487	5.7
105.07032	68.1
107.08598	54.5
109.06509	11.8
109.10159	11.4
111.08088	7.5
113.09638	33.7
115.05434	6.1
117.07026	9.2
119.04933	4.3
119.08591	32.5
121.06513	21.6
121.10141	14.5
123.08083	15.6
125.09652	19.7
127.11135	3.9
128.06223	12.5
129.07007	17.4
130.07790	9.2
131.08591	24.5
133.10106	23.3
135.08061	7.8
135.11742	3.5
137.05963	4.1
137.09637	4.4
139.11169	25.7
141.06979	6.8
142.07779	19.2
143.08551	39.3
144.09329	11.8
145.06490	5.4
145.10133	39.7
147.08075	8.0
147.11717	5.1
149.09618	4.0
151.07523	3.3
153.07014	5.1
153.09070	4.8
153.12741	7.4
155.08580	15.9
155.10649	23.7
156.09341	20.6
157.10126	46.5
158.07266	3.9
159.08076	18.9
159.11684	14.2
160.08757	3.0
161.09590	13.9
161.13251	3.3
163.11143	5.4
165.06996	8.0
166.07782	6.8
167.08554	8.5
168.09285	5.2
169.06551	3.1
169.10101	28.2
170.10812	10.0
171.11691	38.2
172.08833	4.0
173.09683	13.1
175.11198	5.6
178.07819	4.0
179.08549	10.0
179.14314	4.7
180.09268	3.3
181.10156	17.4
181.12247	18.4
182.10905	7.5
183.08092	4.8
183.11647	15.0
185.09547	4.8
185.13242	7.8
187.11145	4.8
189.12717	3.9
191.08604	3.8
191.14284	4.2
193.10130	11.0
194.10873	8.4
195.11731	19.8
195.13432	4.6
196.12486	10.3
197.09584	4.9
197.13222	13.7
199.11111	15.0
199.14816	3.2
205.10115	4.1
206.10951	6.7
207.11673	6.2
208.12579	4.3
209.13271	23.8
210.13931	3.0
211.11258	3.5
211.14796	26.4
212.15446	3.1
214.13614	7.2
219.11641	5.5
220.12491	3.0
221.13229	16.9
221.15373	9.0
222.13881	4.9
223.14772	9.6
227.14215	4.1
233.13217	5.0
233.15405	11.3
235.14780	13.9
237.12680	3.5
237.16322	4.1
239.14285	25.1
245.15303	8.9
247.14754	7.0
249.16560	2.7
251.14297	3.3
251.18181	2.9
253.15952	8.9
259.16992	3.7
265.15918	5.4
272.17880	5.1
273.18521	6.0
275.16483	9.5
285.18512	6.2
286.19193	5.8
287.17703	4.6
289.19379	4.2
297.18369	6.5
298.19305	42.3
299.20038	12.8
301.17932	7.8
305.18936	3.6
311.20059	3.8
389.24002	3.3
407.25745	84.0
408.26370	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	407.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.2
57.07075	8.8
58.53877	0.6
65.03942	1.5
67.05505	0.6
69.07069	20.9
71.08636	12.0
81.54758	0.6
89.06027	1.3
93.03396	0.7
93.07048	1.1
95.08591	0.8
111.11730	5.9
111.12975	0.6
113.13278	1.2
119.08551	0.7
121.02866	5.1
121.03991	0.7
121.10091	0.6
129.12778	2.9
133.08662	0.7
149.02342	100.0
150.02673	2.7
167.03400	7.8
190.04984	1.1
239.67688	0.6
289.59818	0.7
407.25467	0.6
407.35461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86062	1.2
67.05501	1.3
69.07075	2.9
69.33020	3.1
69.33417	4.0
70.09938	1.3
71.04998	2.3
81.07068	3.9
85.06561	8.2
93.07048	6.5
95.08629	5.1
99.08098	3.9
99.22697	1.1
105.07050	1.5
107.08595	6.5
109.10165	13.2
111.08101	1.3
119.08637	2.6
121.10143	2.4
123.11738	1.5
127.11147	2.5
133.10139	3.4
134.74889	1.4
135.11703	21.8
147.11662	1.5
149.13271	6.1
151.14902	1.7
153.12735	11.6
160.96561	1.3
175.14853	7.1
177.56505	1.2
193.15910	1.8
211.16954	100.0
212.17278	4.0
213.33371	1.2
355.53320	1.2
378.21002	1.5
409.18311	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	408.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
55.05511	3.1
59.04985	3.1
67.05510	6.0
69.07072	11.6
69.27679	8.0
71.04996	7.6
79.05494	4.4
81.07069	15.9
83.08638	4.8
85.02922	8.8
85.06535	2.3
91.05504	4.6
92.05840	2.1
93.07043	11.0
95.08614	16.9
97.06554	7.0
99.04486	6.4
105.07069	8.7
107.08607	17.5
109.02917	2.2
109.06544	6.2
109.10171	24.6
111.08070	2.2
115.07588	5.7
119.08597	13.4
121.10148	13.8
123.08085	5.3
123.11703	20.3
125.09658	3.8
127.11250	2.0
133.10139	30.7
135.11708	26.0
137.09621	9.1
147.11664	3.7
149.13272	15.9
151.14793	2.4
153.12833	2.0
153.25346	2.5
155.10654	2.4
175.14842	42.6
177.16385	3.5
193.15918	55.8
211.11212	2.6
211.16962	100.0
212.17198	2.7
229.14175	1.9
247.13222	2.5
257.67923	1.9
318.26276	2.2
337.23721	2.9
409.18451	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11550	0.6
55.05508	1.0
58.32012	0.6
67.05473	1.3
69.07064	4.4
70.96908	1.0
70.97279	0.6
71.04993	1.8
73.96517	0.5
79.05470	1.4
81.07043	4.0
83.08617	2.4
85.02896	2.0
85.06537	0.7
91.05453	0.7
92.88482	0.5
93.07051	3.4
95.04995	0.7
95.08594	7.1
97.06520	4.3
99.04444	1.5
105.07036	2.2
107.08591	6.5
109.06487	2.8
109.10162	6.4
115.07578	3.1
119.08561	4.3
121.10146	3.1
123.08034	1.1
123.11702	2.5
127.11170	0.8
131.82776	0.6
133.10127	9.2
135.11682	6.9
137.09605	1.3
149.13261	3.5
153.12762	0.9
175.14824	16.4
175.16338	0.9
177.16420	1.2
179.14343	0.8
193.15872	18.1
203.05264	0.8
211.16925	28.7
212.17439	0.9
247.13019	2.3
268.02069	0.7
389.33081	0.7
409.18323	100.0
431.21237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53029	0.4
55.05507	0.7
67.05495	1.5
69.03408	0.6
69.07056	4.5
70.11926	1.2
71.04987	15.3
73.89822	0.4
79.05501	1.0
79.66499	0.4
81.03381	0.5
81.07047	3.0
83.08633	0.7
84.98620	0.4
85.02896	2.8
85.06530	1.9
91.05449	1.0
93.07032	3.5
95.04958	0.5
95.08598	6.9
97.02884	0.8
97.06526	1.9
97.10148	1.0
99.04452	44.6
99.08035	0.8
100.04766	0.7
105.07017	1.3
106.09815	0.4
107.08582	5.0
109.10148	4.9
111.11697	0.7
113.09637	4.7
115.07553	1.7
119.08580	3.6
121.10168	2.1
123.08027	1.1
123.11691	2.5
125.09578	1.2
127.03946	0.5
127.11230	0.5
127.55975	0.4
131.07047	0.4
131.08473	0.4
133.10115	4.2
135.11682	15.3
136.11963	0.5
137.09613	0.8
139.11180	0.8
141.09138	0.8
141.12730	2.1
145.05005	0.6
147.11650	0.6
149.13249	1.7
151.14772	2.4
153.12778	2.1
165.88535	0.4
169.12233	0.6
169.15947	1.4
175.14793	6.9
175.16167	0.6
179.10602	0.7
193.15887	7.5
211.16920	100.0
212.17242	4.0
220.86406	0.4
229.08647	1.1
408.17291	0.5
409.18375	4.8
409.87241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
86.40019	1.3
91.05497	1.4
95.04979	2.8
95.30054	1.4
99.46265	1.5
103.44682	1.5
109.05009	8.0
109.10136	1.5
122.05791	2.5
125.30720	1.5
136.07355	2.7
145.10091	1.5
151.09084	1.8
207.10033	1.7
207.15952	4.2
234.14699	14.5
246.18355	6.5
250.17934	1.5
252.15726	2.1
290.17282	3.0
292.18826	11.4
346.27103	15.8
347.27618	1.4
362.26712	3.7
374.26675	100.0
375.27228	8.5
390.26135	52.2
391.26367	4.4
408.24438	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	409.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64849	0.8
56.96287	1.0
56.96570	16.6
57.49087	0.7
60.02872	0.6
69.96020	1.4
98.22878	1.4
98.97594	74.1
100.99154	8.7
110.97591	2.0
116.98637	15.9
119.00198	2.3
124.99138	8.0
128.98595	1.6
134.99673	2.5
140.98590	0.7
141.02246	0.9
143.00177	14.9
151.00706	1.5
158.99673	7.1
161.01242	10.2
169.01732	12.1
177.00752	2.8
179.02243	1.2
185.01263	3.5
187.01118	1.3
187.02800	24.6
199.02815	1.0
203.02310	3.6
205.03853	11.5
211.02798	40.9
219.01831	3.9
223.04771	0.8
229.03859	100.0
230.04248	2.0
237.02774	2.3
241.03850	0.7
247.04918	46.0
248.05162	1.8
265.05978	2.7
270.06451	1.1
271.04935	10.9
278.56314	0.6
289.05966	28.0
307.07065	0.8
349.08115	10.5
367.09146	12.5
368.09595	0.8
385.07550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
58.80894	0.3
71.04981	1.1
71.44137	0.4
78.01809	0.7
81.03412	0.6
81.07047	0.5
84.04531	0.4
95.04987	0.5
107.04918	0.5
109.02875	0.6
113.06022	0.6
113.62954	0.4
153.01840	5.5
153.03026	0.5
173.07071	0.4
187.12303	0.5
191.08173	0.4
196.09950	0.5
197.10785	0.4
198.07870	0.8
199.08667	1.9
200.09450	1.2
201.10147	0.8
203.05206	1.0
210.07805	0.8
211.08652	4.0
212.09331	1.3
213.06837	0.5
213.10191	2.8
215.08142	0.4
215.11804	1.2
217.09732	2.4
223.12291	1.0
224.05925	0.3
224.09398	0.4
225.06706	0.7
225.10234	4.5
226.07249	0.9
226.10881	0.5
227.08127	1.4
227.11617	0.6
229.09729	2.6
231.07712	0.4
231.11282	0.9
237.10301	0.5
238.07353	0.7
239.08168	6.6
239.11783	3.8
240.08907	2.6
241.09717	5.4
241.12146	0.4
241.13327	0.9
242.10463	1.2
243.07535	1.4
243.11264	7.0
244.11795	0.6
249.10222	0.6
251.11951	0.5
252.08945	0.6
253.09758	7.1
254.06807	0.6
254.10281	1.2
255.11375	0.7
257.09280	2.5
257.12784	1.2
258.09930	0.9
259.10797	3.5
260.11420	0.7
261.10959	0.6
262.11053	1.6
267.07611	1.9
267.11246	5.4
268.05704	0.4
268.08438	6.1
268.11258	0.6
269.09100	1.2
269.12772	1.3
271.10788	27.4
272.11172	1.6
273.12299	2.1
275.10287	2.0
277.11926	4.2
281.09262	1.5
283.10547	0.4
285.08704	2.1
285.12299	5.8
286.13083	0.6
287.13889	0.5
289.11816	1.8
295.10825	4.0
297.12265	0.6
299.10291	0.7
299.13705	0.8
300.11035	2.2
301.11743	0.5
303.09708	1.0
303.13309	1.4
305.25995	0.3
313.08551	0.5
313.11868	7.2
314.12207	0.8
315.13391	0.6
317.11392	2.0
317.14673	0.4
318.11893	0.6
323.10284	9.2
324.10562	0.7
326.09036	0.4
327.13290	1.9
331.12900	0.8
335.12448	3.3
336.13123	0.3
341.11325	16.9
342.11581	1.2
345.14594	2.8
347.15814	0.7
349.13937	0.7
355.12979	3.4
359.12466	2.7
363.15244	0.4
373.13959	15.0
373.18683	0.8
374.14233	1.3
377.13474	0.6
391.15042	20.3
392.15076	1.3
409.15967	100.0
410.16302	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	409.1629
Annotation	Pestalospirane A
Peak:m/z	Relative Intensity
62.25367	0.4
69.37345	1.7
74.81025	0.4
117.68613	0.4
153.05396	0.4
175.65094	0.3
183.67812	0.3
190.67245	0.5
409.16165	100.0
410.16437	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	409.1625
Annotation	Pestalospirane A
Peak:m/z	Relative Intensity
56.46325	0.7
70.44037	0.6
71.04962	1.0
72.56668	0.7
73.73830	0.7
81.07023	1.5
93.07019	1.4
95.08551	1.1
98.97552	1.2
99.04389	1.9
100.04737	0.7
113.52496	0.6
115.98241	0.7
133.10103	0.7
135.11574	0.7
203.04965	0.9
211.16742	1.9
212.17050	2.7
247.09425	3.2
247.12874	0.9
289.10965	0.7
359.07547	0.7
409.16104	100.0
410.16470	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	409.1625
Annotation	Pestalospirane A
Peak:m/z	Relative Intensity
60.20952	0.6
63.90348	0.7
69.98649	0.7
70.07086	0.7
70.82723	1.2
85.06506	1.9
92.72607	0.6
99.93078	0.7
105.06966	0.8
107.08555	1.6
111.08042	0.9
144.96204	0.6
149.09567	1.8
207.13857	0.9
211.20503	0.7
229.11916	1.0
241.68936	0.7
247.13078	1.2
316.03238	0.8
337.90039	0.8
345.04257	2.0
409.16098	100.0
410.16522	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	409.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88372	1.2
55.05471	1.8
66.96051	1.0
69.07021	1.3
70.16335	3.3
81.07028	1.4
81.24020	1.1
86.87665	1.1
89.10233	1.2
95.08573	1.8
98.97520	1.3
106.34118	1.1
107.08501	1.2
123.11660	1.2
131.89493	1.3
137.13129	1.2
161.82869	1.1
186.68336	1.2
247.12982	4.1
318.14664	1.3
409.05710	10.9
409.16077	100.0
410.16422	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97779	0.2
60.30438	0.3
69.61530	0.7
81.07054	0.3
98.22810	0.6
98.23450	0.5
105.07013	0.3
137.05983	0.4
177.75537	0.3
184.60548	0.3
203.05293	0.7
220.37186	0.3
229.12062	1.2
239.52589	0.3
247.13087	1.8
374.93900	0.3
409.18356	100.0
410.18723	6.0
413.51456	0.3
429.10614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62345	0.4
81.07010	0.4
167.25357	0.3
172.62259	0.3
229.11961	0.7
237.01506	0.4
247.13179	0.7
266.28525	0.3
274.21921	0.3
285.09500	0.5
352.36420	0.4
409.18332	100.0
410.18658	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05637	0.2
67.11760	0.2
67.31879	0.2
69.44093	1.0
90.41120	0.2
92.49406	0.2
94.77900	0.2
98.22675	0.4
107.01085	0.2
107.08605	0.3
109.10174	0.2
113.27129	0.2
133.10146	0.2
175.14822	0.2
193.15900	0.4
194.16328	0.4
203.05191	0.3
211.16978	0.4
212.17316	0.4
232.23978	0.2
247.13034	2.7
344.05731	0.2
380.61047	0.2
400.62610	0.2
409.18311	100.0
410.18652	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14939	0.2
55.05503	0.4
56.93999	0.2
67.05507	0.3
69.03441	0.4
69.07085	0.2
69.57906	0.8
71.05008	0.6
79.05514	0.3
81.03430	0.5
81.07068	0.6
83.08631	0.4
85.02921	0.7
91.05466	0.3
93.07071	0.5
94.65151	0.2
95.08614	0.5
97.02876	0.3
98.22868	0.5
98.23424	0.3
105.07083	0.3
107.08608	0.5
121.02856	0.6
125.09607	0.3
133.10152	0.3
147.04620	0.3
159.78648	0.2
163.03830	0.3
174.34883	0.2
201.08920	0.3
203.05240	1.2
219.02870	0.6
229.11978	2.1
247.02458	0.9
247.13202	0.7
379.17334	3.0
388.42752	0.3
409.18387	100.0
410.18793	5.8
434.75754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29065	0.2
69.51799	0.3
69.52172	0.7
85.06537	0.3
96.82687	0.2
107.01105	0.3
109.10164	0.3
111.71983	0.2
111.86224	0.2
116.87384	0.2
132.75641	0.2
133.91087	0.2
135.11728	0.3
136.11972	0.2
138.13728	0.2
154.13004	0.2
164.99605	0.2
166.58646	0.2
203.05272	0.5
211.16861	1.0
212.17296	1.0
222.55106	0.2
229.14413	0.2
247.13031	3.5
272.47028	0.2
307.23560	0.2
385.57672	0.2
409.18298	100.0
410.18643	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23881	0.3
54.45958	0.2
68.54269	0.2
69.49888	1.3
76.32378	0.2
79.73933	0.2
89.44122	0.2
92.52100	0.2
98.23320	0.7
183.35513	0.3
210.78847	0.2
217.10289	0.3
229.11995	0.5
247.13010	1.7
254.88622	0.2
284.99506	0.3
409.18359	100.0
410.18729	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77897	0.2
69.51660	0.8
77.98146	0.2
126.40237	0.2
134.29149	0.2
174.89870	0.2
247.13094	0.4
387.17648	0.2
409.18304	100.0
410.18616	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	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
69.52068	0.6
81.03407	0.2
81.07005	0.1
93.07029	0.2
95.08598	0.2
112.15518	0.1
121.06486	0.2
133.24312	0.1
145.33861	0.1
159.11633	0.1
165.90598	0.1
165.98308	0.1
187.11206	0.2
201.12674	0.2
201.52542	0.1
203.05298	0.2
229.12105	0.8
247.13081	2.5
298.11060	0.2
376.52734	0.1
395.42343	0.1
409.18323	100.0
410.18671	7.4
433.39029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39987	0.3
65.00591	0.4
98.22701	1.0
107.65736	0.4
109.05032	0.4
156.59068	0.5
183.80310	0.4
247.28174	0.4
295.15134	0.6
309.16571	0.6
367.14624	0.5
409.25595	100.0
410.25925	8.6
416.44995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08731	0.4
54.36224	0.4
54.67979	0.4
63.50431	0.4
67.05488	0.5
69.60347	0.8
69.60736	0.9
74.17490	0.3
98.23412	0.5
106.88486	0.4
109.05016	1.0
153.01556	0.6
169.50795	0.4
179.78009	0.4
186.53922	0.4
192.58691	0.4
197.01013	0.4
207.15775	0.5
226.36032	0.4
271.93564	0.4
295.15247	0.8
309.08789	0.4
309.16660	0.5
409.25604	100.0
410.26007	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	409.2562
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
57.00074	1.0
58.56349	1.1
61.29665	1.0
61.67297	1.1
62.23934	1.0
64.51763	1.0
67.05508	1.4
69.93939	1.7
69.94259	1.8
80.33204	1.1
81.07042	1.3
98.23388	2.0
109.10074	1.3
209.08644	1.1
214.11871	1.6
226.82957	1.1
259.81894	1.1
276.90027	1.1
285.10220	1.5
295.15280	2.0
297.73993	1.0
309.16864	1.4
350.16986	2.0
409.25604	100.0
410.25909	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03931	3.6
55.01863	1.9
55.05511	16.5
57.03410	2.6
57.07068	8.2
59.01389	1.7
59.05000	4.9
65.03930	3.1
67.05499	19.4
68.67457	1.5
69.03419	7.3
69.07064	7.3
71.04978	1.9
71.72720	1.8
72.73841	1.5
77.03928	2.5
77.79953	1.9
79.05492	24.6
81.03381	2.6
81.07058	34.6
83.04981	4.0
85.06534	3.9
91.05479	47.6
93.07042	46.2
94.07368	2.5
95.04966	54.5
95.08607	30.1
97.06538	8.7
98.22655	2.7
102.51550	1.4
103.05471	5.6
105.00114	1.5
105.04523	3.6
105.07028	100.0
106.07333	2.8
107.08587	23.9
109.06514	14.0
109.10168	7.6
111.08104	2.4
115.05479	3.7
117.07021	14.3
119.04970	2.4
119.08582	59.1
121.06495	16.1
121.10151	17.4
123.08052	17.1
128.06207	7.6
128.07045	2.0
129.06995	10.1
130.07733	6.6
131.08571	20.1
132.09308	2.0
133.06490	4.2
133.10120	18.1
135.08052	13.0
135.11674	4.5
137.09634	10.8
141.07014	5.0
142.07776	11.7
143.08568	17.6
144.09331	3.7
145.06441	4.0
145.10112	38.1
147.08080	16.6
147.11684	39.3
148.08817	1.7
148.12013	1.8
149.09596	11.6
151.07550	20.0
153.06985	2.9
153.09096	2.7
154.07813	2.7
155.08534	10.0
156.09326	4.7
157.10114	18.3
159.08029	7.3
159.11679	12.4
161.09630	6.7
161.13315	5.1
163.11179	7.6
165.06981	1.9
165.09120	32.4
166.07713	1.8
167.08569	4.1
168.09340	4.6
169.10127	10.7
170.10913	2.6
171.08099	1.8
171.11656	9.7
172.12302	2.2
173.09644	6.4
173.13228	10.4
175.11182	33.7
175.14777	2.5
177.09129	4.4
178.10002	2.4
179.08537	2.8
179.10707	2.0
181.10117	6.2
182.10976	2.5
183.11679	12.1
185.09743	1.8
185.13272	7.5
187.11165	2.9
187.14796	2.6
189.12762	6.7
191.14322	3.1
193.10091	2.5
195.11661	3.7
197.13245	5.3
199.11223	4.5
201.12729	8.9
201.16379	3.4
203.14323	16.2
207.11906	2.0
207.13733	8.0
209.13344	2.9
209.15309	4.8
211.11197	3.0
211.14856	4.0
213.12822	2.4
215.14241	2.4
216.15152	1.9
219.11861	1.7
219.13811	3.8
221.13402	3.9
221.15358	87.5
222.15788	4.2
223.14975	2.8
225.13013	1.8
227.14337	3.0
229.15829	6.9
231.13760	4.5
233.15346	1.9
234.16132	16.4
247.16969	3.3
251.17934	1.8
281.19009	2.4
286.19379	3.7
287.19937	9.3
299.20111	1.8
300.20810	7.1
313.21527	1.8
329.21133	10.6
335.20258	1.8
391.26279	9.8
392.31433	2.0
409.27319	54.0
410.27499	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
54.50884	2.3
55.01873	3.5
55.05511	17.5
57.07066	7.6
67.05518	21.4
69.03424	7.6
69.06864	7.4
71.30580	2.5
79.05506	22.0
81.07066	41.8
81.30045	2.8
83.05007	3.5
83.08627	4.6
85.06557	3.5
91.05489	38.1
92.05814	3.1
93.07054	50.6
95.04977	52.4
95.08620	34.3
97.06540	12.9
98.23492	5.3
103.05486	4.0
105.04533	3.0
105.07043	100.0
105.07740	5.4
107.04969	3.1
107.08606	25.9
109.06523	12.5
109.10172	19.2
111.08059	3.1
115.05442	3.0
117.07053	13.5
119.04937	4.4
119.08588	67.1
119.90719	2.9
121.06510	22.6
121.10170	19.4
123.08090	22.2
128.06223	8.3
129.07002	8.1
130.07845	3.5
131.08575	26.7
133.06503	8.5
133.10164	22.0
135.08055	13.1
135.11705	7.6
137.09630	8.9
141.06984	4.6
142.07809	14.0
143.08595	23.5
144.09279	3.8
145.10129	36.6
147.08072	16.4
147.11707	38.3
149.09656	14.3
151.07552	24.9
155.08572	12.7
156.09415	7.6
157.10149	26.6
159.08073	6.9
159.11713	18.4
161.09627	10.0
161.13272	3.6
163.11224	4.9
165.09137	40.7
167.08563	5.0
168.09348	5.7
169.10110	15.1
170.10844	3.7
171.11693	12.0
172.09029	2.6
173.09656	8.4
173.13275	11.6
174.10422	3.5
175.11163	26.0
177.09146	5.4
179.08615	4.1
181.10179	5.5
181.12288	2.9
183.11743	13.8
185.13292	7.5
187.11217	7.3
189.12756	7.9
195.11597	5.0
196.12440	2.9
197.13292	6.1
197.77431	3.2
199.11295	3.1
199.14844	4.4
201.12753	15.4
203.14339	17.7
207.13855	12.0
209.13406	4.9
209.15242	5.4
211.14888	7.4
215.14293	4.8
219.13882	4.8
221.13251	4.3
221.15373	77.9
222.15770	3.3
229.15878	7.8
233.15347	4.1
234.16263	17.6
239.01422	2.5
241.15906	3.7
286.19315	3.5
287.20062	12.6
299.19925	3.4
300.20886	5.0
313.21793	3.7
329.21243	4.6
391.26279	8.3
394.51514	2.8
409.27380	85.5
410.27670	9.7
433.00192	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	409.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01400	1.1
53.03947	2.2
55.05297	1.5
55.05518	17.9
57.07084	7.9
59.05001	3.5
65.03909	1.7
67.05508	18.5
69.03428	7.6
69.07071	6.9
71.04996	2.0
73.95132	1.1
77.03925	1.4
78.80489	1.4
79.05490	21.8
81.03423	1.9
81.06627	2.3
81.07066	32.2
83.04984	7.1
83.08613	1.5
85.06537	3.4
91.05488	34.4
93.07049	46.5
95.04977	51.0
95.08613	26.2
97.06535	9.2
103.05481	3.4
105.04523	3.1
105.07037	100.0
106.07398	1.9
107.08598	24.6
109.06519	12.6
109.10154	6.4
115.05463	3.1
117.07032	11.5
119.04939	2.5
119.08587	63.4
120.09372	2.2
121.06501	16.5
121.10149	16.7
122.09646	1.5
123.08070	15.4
128.06242	4.0
129.07047	8.3
130.07782	5.5
131.08577	25.9
132.09340	1.4
133.06491	7.9
133.10143	21.0
134.07251	1.2
135.08069	13.6
135.11702	4.2
137.05905	1.3
137.09607	8.7
141.07013	2.7
142.07764	10.9
143.08574	12.9
144.09306	3.5
145.06519	2.3
145.10132	38.4
146.10791	1.6
147.08044	14.8
147.11690	38.6
149.09637	11.7
149.13303	1.4
151.07564	20.2
153.09122	3.5
155.08578	8.2
156.06580	1.4
156.09351	8.1
157.10155	17.9
158.10857	1.7
159.08060	4.7
159.11699	14.6
161.09624	6.1
161.13240	3.8
163.07480	1.4
163.11209	5.1
165.07104	1.7
165.09129	36.0
165.12761	2.1
166.07921	1.6
167.08545	2.1
168.09369	4.4
169.10124	9.6
169.72765	1.2
170.10925	4.4
171.11694	8.3
172.08846	1.4
173.09604	4.1
173.13274	7.0
175.11188	30.3
175.14786	1.4
176.11678	1.7
177.09103	4.5
178.09853	1.6
179.08589	3.1
180.09360	1.7
181.10149	4.9
181.12265	2.8
182.10927	2.2
183.11710	9.4
185.09656	1.6
185.13251	5.0
187.11177	5.0
187.14859	4.2
189.12759	6.5
191.10696	1.1
191.14365	2.8
193.10205	3.0
193.12225	1.3
194.10823	2.1
195.11713	3.5
196.12349	2.9
197.13242	3.9
199.11235	3.8
199.14879	2.6
201.12750	13.4
201.16316	2.0
203.14293	14.4
205.10309	1.8
207.11906	1.9
207.13831	6.3
209.13286	4.5
209.15369	4.7
211.11209	1.7
211.14864	5.2
213.12772	2.4
213.16432	1.4
216.15103	2.3
219.13808	3.3
221.15373	80.3
222.15736	3.7
223.14859	2.6
227.14238	1.8
229.05981	1.4
229.15906	5.3
231.13844	2.8
233.13106	1.4
233.15292	3.0
234.16174	16.1
253.15784	1.5
255.14017	1.5
269.19037	2.8
269.91653	1.3
286.19357	2.7
287.20096	7.0
300.20880	4.9
329.21027	5.9
353.21091	1.9
379.86499	1.4
391.26361	6.9
392.25983	1.3
409.27380	52.4
410.27853	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.86099	2.1
53.03934	3.1
55.05512	21.3
56.41594	2.2
57.07066	9.5
59.04986	5.4
64.01260	2.4
64.01593	2.5
65.03946	3.8
67.05499	23.9
69.03422	8.6
69.07061	9.8
77.03919	2.9
79.05489	22.7
81.03413	2.2
81.07054	37.8
83.04975	6.7
83.08595	5.0
85.06546	7.0
89.06083	2.5
91.05479	40.1
93.07042	57.6
95.04963	49.2
95.05532	3.7
95.08607	33.8
97.06530	14.4
103.05456	5.0
105.04522	3.6
105.07026	100.0
106.07353	2.3
107.04952	3.2
107.08594	32.7
108.40923	2.5
109.06524	14.3
109.10148	12.3
111.08021	3.4
115.05453	3.0
117.07008	14.4
119.04924	4.9
119.08578	75.6
119.43027	2.1
121.06500	18.2
121.10139	22.1
123.08058	22.7
125.09630	2.5
128.06226	5.5
129.07010	9.1
131.08559	28.3
133.06543	5.8
133.10115	23.4
135.08054	16.5
135.11665	5.0
137.09581	11.5
141.06935	7.5
142.07761	14.3
143.08575	24.4
144.09367	5.7
145.06522	3.0
145.10129	44.1
146.10829	2.5
147.08023	14.9
147.11682	34.5
149.09633	10.5
151.07535	27.7
153.06938	3.5
153.09161	4.7
155.08560	7.0
156.09326	9.3
157.10123	27.8
159.08057	5.5
159.11682	15.9
161.09613	9.2
161.13272	7.5
163.11183	4.9
165.09099	35.0
167.08476	5.8
168.09331	6.1
169.10118	17.9
171.11662	15.0
173.09656	8.0
173.13243	9.9
175.11182	23.7
175.14879	2.3
177.09109	5.8
181.10201	6.6
181.12268	5.2
183.11682	16.6
185.13272	7.0
187.11151	5.6
189.12764	9.7
191.14392	2.7
193.10207	2.7
195.11708	7.7
197.13249	6.5
199.11169	2.9
199.14810	4.7
199.93416	2.4
201.12761	9.4
201.16385	3.1
203.14282	16.8
207.11899	3.0
207.13782	10.3
209.13361	4.1
209.15411	6.2
210.13727	2.4
211.14799	7.8
213.12726	3.0
219.13873	2.9
220.12527	2.8
221.13354	3.6
221.15340	76.5
222.15746	3.9
223.14845	4.6
225.16415	4.4
229.15961	6.5
233.15446	4.2
234.16168	13.2
235.14810	3.4
239.14372	2.9
286.19223	3.6
287.20032	10.1
293.18802	2.3
299.20221	3.2
300.20660	3.6
329.21118	5.9
391.26331	8.7
409.27304	71.3
410.27475	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
55.05506	21.4
57.07065	6.0
65.03928	7.0
66.21606	6.2
67.05499	27.3
69.03424	8.7
69.07059	20.7
72.20220	5.2
74.91444	5.8
79.05484	38.9
81.07055	41.5
81.36281	7.0
83.04987	11.5
89.06013	8.6
91.05483	44.4
93.07047	61.9
95.04977	66.5
95.08597	25.5
97.06540	13.4
105.07034	100.0
106.07351	8.0
107.08604	39.3
107.16111	6.4
109.06516	10.7
109.10177	8.5
117.07022	20.8
119.08583	56.4
121.06515	23.5
121.10162	46.2
123.08096	7.5
124.22993	6.3
128.06184	8.9
129.07016	17.4
130.07837	6.7
131.08571	28.6
133.08604	6.7
133.10123	27.0
135.08067	14.7
142.07799	16.0
143.08562	30.9
145.10120	42.5
147.08080	8.0
147.11703	25.7
149.09622	14.0
151.07518	8.1
154.07785	6.2
156.09349	10.3
157.10123	34.8
159.08080	16.0
159.11687	28.7
161.09544	13.3
167.10663	64.9
169.10138	21.5
170.10873	7.6
171.11665	12.8
173.09644	11.2
173.13263	9.7
175.11244	14.1
181.10117	7.5
182.10905	7.9
183.11716	17.2
185.09706	6.6
185.13106	6.9
185.33174	6.4
187.11229	22.7
193.10178	7.6
195.11646	11.8
197.13228	11.3
199.11174	5.8
207.11606	8.0
209.13194	17.0
221.13271	7.8
221.15178	8.5
223.14748	9.4
233.15416	16.9
234.15927	12.9
235.14781	7.2
238.48492	6.4
242.37469	5.8
356.53317	5.8
391.26282	10.7
409.27069	41.1
422.45871	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	410.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.9
55.05505	5.5
56.39836	0.8
57.03431	3.0
59.05007	1.6
61.02936	0.9
67.05508	12.1
69.03442	2.3
69.07075	5.8
69.54860	3.2
71.04993	3.1
73.91932	0.8
79.05492	12.5
81.03435	1.0
81.07050	10.7
83.04983	22.0
83.08611	6.7
84.05293	1.0
85.02908	7.0
85.06541	3.3
90.10677	0.8
91.05492	4.0
93.07043	28.4
95.04964	1.2
95.08608	10.5
97.02883	2.8
97.06531	11.4
97.10169	1.4
97.80190	0.8
98.22746	1.5
99.04425	1.4
105.07002	1.0
107.08594	20.7
109.02883	1.0
109.06542	0.9
109.10175	3.9
111.04433	0.9
111.08065	6.0
111.71842	0.8
113.05962	1.0
115.48189	1.0
117.07027	1.1
117.68726	0.8
119.08594	3.0
121.10137	7.0
123.11671	1.0
125.09624	1.1
133.10107	1.3
135.11694	51.8
139.07544	1.9
145.04967	1.2
145.10126	7.4
153.05374	1.3
153.12743	37.9
153.14000	2.0
154.13074	1.7
163.11198	8.8
181.12233	100.0
181.25002	0.9
182.12624	3.5
187.13261	1.7
199.13292	27.7
201.14865	1.4
213.14861	49.9
214.15236	2.0
231.15910	52.1
232.16226	1.5
252.76231	0.9
315.45538	1.1
410.18793	4.3
411.15186	1.1
411.19934	6.8
411.27249	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81408	1.1
55.05509	3.8
57.07078	36.4
61.93954	1.1
63.60076	1.0
66.62363	1.2
67.05513	2.0
69.07066	2.8
69.10669	7.7
71.08630	25.9
73.06555	4.7
79.05487	3.2
81.07060	5.4
83.08631	2.4
85.10187	16.0
87.04481	2.0
89.06033	100.0
91.05486	4.5
93.06520	1.3
93.07048	5.5
94.07408	2.4
95.04978	4.8
95.08616	4.5
97.06551	1.6
97.10178	3.0
98.22732	3.1
99.11746	3.4
105.07029	11.1
106.07381	5.0
107.07107	3.2
107.08599	3.7
108.08939	1.9
109.10200	1.9
113.13294	1.5
117.09168	1.8
119.08569	5.9
120.08967	1.8
121.06503	1.4
123.08096	2.1
127.69237	1.2
130.08659	1.8
133.08604	45.6
133.10143	2.4
135.08107	1.4
143.08620	2.1
145.10158	2.8
146.10471	2.4
147.08086	1.6
147.11653	2.0
148.12024	2.3
151.07602	2.2
151.09677	5.4
155.17978	4.1
157.10092	1.2
165.09218	1.5
166.09523	1.7
169.09981	1.6
171.11710	1.5
175.11194	1.6
176.11609	1.6
177.11226	11.0
195.12257	4.3
199.20596	1.8
221.15404	4.3
222.15710	5.1
236.15099	1.3
236.18159	1.3
239.14896	36.1
243.23257	5.5
287.25885	2.7
349.29477	1.4
393.32062	38.6
394.32831	2.7
410.27493	9.2
411.25049	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	411.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24426	0.4
69.68513	1.0
98.22921	1.2
113.22614	0.5
115.45780	0.4
118.02589	0.4
123.28514	0.4
141.98497	0.4
146.59724	0.4
157.04758	1.0
161.02937	0.8
232.64455	0.5
270.02295	0.6
276.01147	0.7
291.03564	1.1
294.02286	1.2
309.04648	1.9
316.16461	0.5
339.05722	0.6
411.08051	4.1
411.12628	100.0
412.12912	5.6
413.21127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24426	0.4
69.68513	1.0
98.22921	1.2
113.22614	0.5
115.45780	0.4
118.02589	0.4
123.28514	0.4
141.98497	0.4
146.59724	0.4
157.04758	1.0
161.02937	0.8
232.64455	0.5
270.02295	0.6
276.01147	0.7
291.03564	1.1
294.02286	1.2
309.04648	1.9
316.16461	0.5
339.05722	0.6
411.08051	4.1
411.12628	100.0
412.12912	5.6
413.21127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1995
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.30923	0.7
56.33083	0.5
62.55436	0.5
69.37248	2.8
69.37599	1.0
79.66440	0.6
96.42979	0.7
107.08578	1.1
109.06487	0.6
119.08645	0.8
121.10164	1.6
135.11736	1.0
161.13251	2.5
179.14302	4.0
201.12451	1.4
203.05281	20.5
282.47501	0.7
381.18872	40.7
382.19232	2.0
411.19901	100.0
412.20248	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	411.1996
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
57.42252	0.3
60.17011	0.3
64.64420	0.3
67.15426	0.3
69.19353	1.5
79.05495	0.3
93.07084	0.4
98.23087	1.4
98.97597	0.3
100.11282	0.3
105.46809	0.3
105.86946	0.3
117.34413	0.3
124.74114	0.3
197.11804	0.3
203.05241	2.5
231.13567	0.5
233.72141	0.3
249.10970	2.8
249.14764	0.8
331.28958	0.4
381.18942	1.2
411.19977	100.0
412.20328	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1445
Annotation	Paashaanolactone
Peak:m/z	Relative Intensity
51.77748	0.2
53.03949	0.6
55.01860	0.3
57.03435	0.4
65.03936	2.0
66.07505	0.2
67.05508	0.3
69.03433	2.5
70.01633	0.8
71.01358	0.3
71.04991	1.0
76.37619	0.2
79.89291	0.3
81.03419	5.8
81.49773	0.3
83.77836	0.2
85.02900	3.4
91.10363	0.2
95.04969	6.0
95.08515	0.2
97.02898	4.8
98.23430	0.3
99.04462	0.7
104.20089	0.2
105.07023	0.6
109.02886	2.5
111.04466	2.1
113.05959	0.4
117.03388	0.4
121.02866	100.0
122.03192	2.0
123.62334	0.2
127.03905	2.3
131.07018	0.4
139.03900	16.4
140.04247	0.5
145.02826	0.7
145.04948	0.8
145.10132	0.3
147.61732	0.3
177.05452	1.6
235.67798	0.2
251.09047	0.5
251.14629	0.3
265.07077	8.0
266.07501	0.5
274.75449	0.3
283.08130	9.6
284.08636	0.5
288.08563	0.4
366.04678	0.3
413.17578	1.5
413.21503	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	413.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25131	0.3
55.01063	0.3
58.39943	0.4
69.41677	1.6
98.22824	1.1
158.10890	0.3
194.91820	0.3
203.05328	1.0
233.15138	0.7
265.81180	0.4
324.01044	0.3
352.78241	0.4
383.20410	12.5
384.20691	0.9
395.20508	1.7
413.21463	100.0
414.21829	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	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.41489	0.7
71.32463	0.2
76.45977	0.2
98.22737	0.3
139.71510	0.2
203.05260	0.6
233.15137	0.7
251.16263	1.7
252.16481	0.3
351.89346	0.2
413.21460	100.0
414.21802	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	413.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
67.05504	0.2
69.03415	0.3
69.07066	0.2
71.04986	0.3
71.46836	0.2
79.05468	0.4
81.07050	0.7
83.04974	0.3
85.06539	0.2
91.05447	0.2
93.07060	0.4
95.08589	0.3
97.02940	0.2
97.06522	0.2
100.11252	0.3
105.07030	0.4
107.04930	0.2
107.08583	0.3
109.09212	0.2
109.10136	0.2
110.31998	0.2
111.04424	0.2
117.07040	0.2
119.08604	0.3
121.06481	0.3
125.05975	0.3
135.11678	0.3
145.10139	0.5
157.10081	0.2
159.08066	0.2
159.11716	0.4
163.11226	0.5
166.81282	0.2
173.09647	0.4
182.15404	0.3
193.72433	0.2
197.11481	0.3
203.05257	2.0
205.12242	0.2
210.14752	0.3
215.10736	0.3
215.14238	0.2
233.15257	0.6
251.12668	0.3
251.16277	1.6
261.92105	0.2
282.19629	0.2
293.17242	0.4
343.30273	0.2
351.24982	0.9
381.10785	0.3
383.20508	0.8
413.21414	100.0
414.21774	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	414.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
69.03434	16.7
71.04989	1.4
71.44668	0.9
81.03423	10.2
85.02901	5.4
87.27110	0.7
97.02895	37.0
99.04472	2.9
108.04478	1.3
109.02879	29.1
125.02355	100.0
126.02710	1.7
127.03912	22.3
143.03395	38.7
144.03717	1.5
144.61812	0.7
145.04962	2.4
184.90804	0.9
185.04523	0.7
192.07307	0.7
197.04457	35.1
198.04764	1.1
215.05510	3.4
221.04350	0.8
251.05513	9.8
269.06537	14.5
287.07458	1.1
378.64880	0.8
414.07724	0.9
414.13974	1.1
415.15448	2.5
415.20099	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	414.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05304	1.3
55.05514	16.3
57.07072	10.8
58.06593	2.6
66.10915	1.4
67.05491	2.1
69.07066	26.1
69.07404	2.0
69.07545	4.3
69.07977	4.9
71.08642	8.0
73.18883	1.4
81.07053	2.4
83.08626	20.8
85.10192	4.7
91.02294	1.3
91.05514	2.3
93.07050	1.9
95.08639	2.2
97.10161	19.4
102.05537	11.9
104.07104	100.0
107.08616	2.0
109.10123	1.8
111.11710	7.2
119.08575	32.7
121.10149	1.4
125.13263	2.9
139.14847	1.4
143.63188	1.4
149.13263	1.8
150.19728	1.4
246.43974	1.4
250.56679	1.4
251.13141	1.4
275.27289	2.9
293.28284	9.9
345.42380	1.5
388.10205	1.5
396.34714	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	414.9537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97804	0.2
54.98635	0.3
56.96567	6.8
61.83241	0.2
68.21450	0.2
69.72623	0.7
71.95255	0.6
98.97580	76.6
99.97946	0.5
116.98618	34.2
117.98969	0.2
130.93292	0.7
134.99654	9.1
140.00194	0.6
153.00719	0.7
154.93288	0.3
164.72285	0.2
172.94357	4.0
174.97528	0.2
189.78853	0.2
190.95395	2.7
197.95175	0.5
208.96419	0.7
214.95393	3.1
230.98468	0.3
232.96460	6.2
250.97501	2.3
256.96423	16.1
257.96841	0.4
258.99783	0.8
262.66907	0.2
274.97491	100.0
275.97833	2.2
277.00848	0.7
290.94910	0.2
292.98553	46.0
293.98984	1.0
294.98804	0.3
297.99118	1.3
298.97717	0.4
310.99539	0.4
314.95578	0.2
315.00403	0.3
316.00146	0.9
316.98871	0.4
332.96567	0.3
366.64691	0.2
373.01440	0.6
390.96298	0.2
410.16928	0.2
414.95364	5.9
415.95547	0.4
432.96396	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	415.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	20.1
60.21978	1.5
84.96032	10.6
85.02924	2.0
98.75910	2.0
98.97589	70.8
110.97571	30.1
112.99129	4.3
113.91930	1.5
116.98628	33.4
128.98613	35.2
128.99500	2.5
131.00211	4.8
134.99666	6.8
140.98634	3.5
143.00204	5.6
144.98090	2.1
146.99651	12.3
149.01335	2.1
158.99702	5.1
160.99074	1.7
161.01265	6.9
162.99222	2.1
170.99654	8.3
177.00771	7.2
179.00246	2.5
181.01772	4.2
189.00739	7.0
191.45889	1.8
197.01254	5.5
199.02812	5.9
199.85364	1.6
201.00613	9.3
211.02852	5.3
219.01794	64.4
223.02739	1.9
227.02333	2.1
229.03889	11.0
237.02834	98.8
238.03244	4.3
242.03529	2.3
247.04996	3.2
253.03874	2.9
255.04007	5.4
256.96609	2.6
271.04971	2.7
274.97531	18.4
292.98563	10.5
295.04971	2.8
307.04861	8.3
325.05994	13.3
343.07108	6.9
355.07034	100.0
356.07288	5.0
373.08078	31.9
374.08212	2.4
396.10031	3.5
415.09183	18.6
415.15222	4.2
416.20877	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	415.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18734	0.2
55.05497	0.2
59.87033	0.2
61.80535	0.2
63.16915	0.2
69.03432	0.3
69.07072	0.2
69.42696	1.1
79.05484	0.2
81.03397	0.8
81.07049	0.3
95.05009	0.2
95.08582	0.3
96.08038	0.2
98.97586	0.5
105.07025	0.2
109.02877	0.4
109.10175	0.3
116.98626	0.3
121.02878	2.0
124.00706	0.2
137.09653	0.3
149.73409	0.2
235.17055	0.4
253.14162	1.1
253.17987	0.8
265.07095	0.4
274.97516	0.6
285.49918	0.2
314.86621	0.2
347.93973	0.3
415.19305	100.0
416.19653	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	415.2306
Annotation	Trp Pro Leu
Peak:m/z	Relative Intensity
69.21141	0.4
69.21544	1.0
73.82845	0.2
98.23564	0.4
99.17049	0.2
100.13741	0.2
113.10484	0.2
115.10100	0.2
203.05334	0.3
235.16840	0.2
253.17802	1.0
295.18790	0.4
334.33136	0.2
353.26569	1.3
397.21985	0.9
415.22995	100.0
416.23389	6.0
416.28540	0.4
419.81998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2315
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
52.58272	0.7
53.03942	0.7
54.30261	0.7
55.05507	1.3
57.07092	0.7
58.67593	0.7
66.71647	0.8
67.05496	3.5
69.03418	2.5
69.07067	6.0
70.85529	0.7
71.04990	2.3
79.05468	1.3
79.38990	0.8
81.03400	1.6
81.07055	4.4
83.04967	1.0
85.02904	3.9
91.05465	2.7
93.07014	3.6
95.04961	2.2
95.08626	4.1
97.02877	1.3
98.97569	3.5
105.07049	4.2
107.08596	7.4
109.02840	1.1
109.06489	1.6
109.10144	4.9
111.04440	1.9
111.08060	2.6
116.98637	2.0
119.08591	5.7
121.02823	1.6
121.10114	3.0
125.09611	3.2
131.08548	1.9
133.10115	6.2
135.11662	3.2
137.09605	1.3
143.08502	1.5
145.10109	2.1
147.07983	1.7
147.11671	4.2
149.09660	1.3
153.12720	1.6
157.10100	1.9
159.11638	1.3
161.09598	7.2
165.09079	0.8
165.12663	0.8
167.10643	3.9
175.11151	1.7
175.14845	4.1
179.10675	3.6
189.16342	4.9
199.14729	1.5
217.15826	6.4
235.16864	7.9
247.06882	0.8
253.18030	7.3
274.97394	3.8
355.09875	1.5
379.21332	0.9
397.22336	1.1
415.17947	5.5
415.22836	100.0
416.23773	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	415.2306
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
59.55448	0.5
69.23366	2.9
81.07045	1.0
81.88754	0.5
85.02902	0.6
93.07057	0.6
95.08633	0.9
98.22712	1.2
98.97591	1.4
105.07019	0.7
107.08595	0.9
109.10217	0.5
110.27718	0.4
116.98651	0.7
119.08563	0.6
134.99527	0.5
145.10078	0.5
147.11685	0.8
157.10121	0.4
163.11235	0.6
176.98079	0.5
182.37769	0.5
185.76767	0.5
235.16879	0.6
274.97455	1.6
286.48816	0.4
292.98602	1.0
353.26447	0.8
357.18863	3.0
382.32083	0.5
415.22971	100.0
416.23608	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	415.2328
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
55.05499	13.5
55.05746	4.7
59.05000	6.1
62.41012	3.9
67.05510	36.3
69.03413	9.4
69.07071	23.8
69.32716	23.4
71.04993	28.2
73.06548	6.0
79.05495	20.8
81.03423	6.2
81.07066	44.2
83.04965	7.4
83.08605	5.5
83.67419	3.9
85.02915	6.7
86.60780	3.7
89.06022	4.4
91.05476	15.7
93.07050	49.7
95.04966	34.7
95.08605	29.0
97.02856	4.1
97.06517	7.0
97.10147	4.5
98.97594	12.8
99.08055	5.9
105.07034	47.6
107.08594	100.0
109.06506	14.0
109.10153	80.1
111.08086	38.6
116.98586	9.0
119.08576	61.4
121.10130	34.8
123.08060	5.7
123.11697	8.7
125.09618	40.9
127.03932	4.1
127.11211	5.4
131.08542	17.0
133.10114	30.0
133.73087	4.3
134.99565	5.0
135.11710	36.3
136.43510	3.7
142.07790	4.0
145.10130	30.7
147.08083	7.4
147.11687	91.0
149.09616	7.0
149.13240	7.7
153.12744	28.2
157.10143	7.8
159.11693	13.4
160.88803	3.5
161.09608	7.1
161.13255	7.3
163.11215	7.4
165.12735	10.6
171.11665	4.7
173.13252	5.6
175.11188	10.1
175.14844	8.8
184.35036	3.9
189.16385	53.3
191.17973	4.8
193.15968	8.7
199.14801	5.4
203.96497	3.6
207.17342	9.2
217.15895	46.0
235.16940	50.7
253.18008	23.9
274.97531	20.0
292.98666	9.4
397.22339	5.2
415.23007	34.8
416.20383	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	415.321
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
51.99267	1.2
55.05513	4.9
57.07075	3.4
65.55724	1.2
67.05497	6.8
69.03429	1.6
69.07060	23.1
69.13236	1.2
70.61314	1.3
71.08627	4.0
71.43517	1.7
74.22214	1.2
74.49339	1.4
76.74783	1.4
79.05492	3.3
81.07057	17.8
83.04986	1.8
83.08624	4.9
85.10162	2.9
89.06024	4.1
91.05463	10.7
93.07040	12.4
95.04959	1.7
95.08587	12.9
97.06509	2.2
97.10149	2.1
99.04453	2.7
103.05476	2.0
105.07027	8.7
107.08588	8.5
109.06525	3.8
109.10146	20.0
117.07023	3.8
119.08577	100.0
120.08911	3.9
121.06509	9.5
121.10152	4.9
122.06824	1.9
123.11700	3.6
123.85784	1.3
125.09642	9.6
129.06964	2.6
131.08586	5.6
133.10126	6.1
135.08083	4.4
135.11699	4.4
137.09647	6.1
137.13345	1.9
142.07761	1.8
143.08586	3.9
145.10086	8.6
147.08041	1.9
147.11710	4.6
149.09628	2.6
149.13269	2.5
150.55547	1.5
157.10158	5.5
159.11716	5.2
161.09653	5.5
161.13278	1.8
163.11151	2.4
165.09116	1.9
171.11720	3.5
173.09598	4.4
173.13292	3.9
175.11192	2.3
183.11752	1.9
185.13277	6.6
187.14952	1.9
195.11629	1.8
197.13246	2.4
199.11160	2.1
199.14795	3.4
201.12778	2.1
203.17978	3.2
209.13203	2.4
211.14867	1.7
213.12810	2.1
213.16315	2.0
215.14435	3.4
227.14276	8.7
229.15868	1.9
245.15431	1.8
255.21068	3.3
267.17307	2.1
269.18988	2.7
271.15381	6.5
272.15753	9.3
297.22049	3.1
337.28964	4.6
361.28909	7.7
379.29971	20.3
397.31000	47.1
398.31012	4.8
415.03842	1.6
416.20554	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	416.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
57.03437	1.8
57.56718	0.7
62.06081	6.1
69.03426	6.1
70.06593	0.9
71.04987	8.6
71.44868	0.7
78.03448	8.2
80.05006	2.7
81.03418	12.1
85.02912	7.8
86.09698	1.6
87.04436	0.8
89.02372	1.3
89.58247	0.7
95.04915	0.8
96.04485	2.9
97.02879	4.7
99.04443	2.3
106.02913	38.7
107.03243	1.2
107.04947	0.7
109.02872	6.8
113.06005	7.6
124.03947	100.0
125.04264	2.0
127.03915	5.8
131.06989	3.8
149.08138	1.4
149.34109	0.9
166.05034	0.8
174.24214	0.6
219.06502	0.8
232.06017	2.6
237.07498	1.0
250.07066	10.7
250.09583	0.8
254.17616	0.7
268.08148	58.1
269.08533	1.6
416.15433	3.7
416.20651	5.6
417.11389	0.8
417.16901	11.2
418.04239	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	416.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
54.49015	0.7
55.41895	0.9
57.23117	0.8
61.02925	2.0
65.03942	1.6
69.03431	2.7
69.48907	0.8
69.55942	3.7
70.88297	0.8
71.05005	8.4
81.03423	5.0
85.02925	7.6
85.06553	14.4
97.02896	3.7
98.23317	2.2
99.04465	95.2
100.04795	2.2
109.02879	1.3
120.49429	0.8
121.02879	97.6
122.03220	1.9
127.03923	2.5
139.03915	100.0
140.04250	2.1
145.04945	1.2
145.08624	5.6
149.12952	0.9
173.06035	4.8
186.37029	0.8
191.07077	2.0
201.05399	1.3
219.06563	3.8
219.70322	0.8
237.07552	2.9
238.70291	0.9
255.18864	0.8
317.65726	0.9
329.16125	1.0
415.66901	0.8
416.19650	3.1
416.24146	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	416.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03943	2.0
55.05511	15.7
59.14467	0.4
60.64943	0.6
62.06094	0.9
69.03431	3.4
71.04981	2.4
78.03437	1.1
81.03410	6.0
82.34473	0.4
83.30405	0.5
85.02908	3.3
86.09753	0.6
97.02882	7.5
99.04452	2.0
106.02908	4.5
108.04452	0.8
109.02879	23.1
110.03282	0.6
113.06022	1.2
124.03950	12.6
127.03912	100.0
128.04250	2.0
131.07031	1.5
145.04958	28.8
146.05339	0.5
152.98097	0.4
157.84512	0.4
163.89302	0.6
186.12817	0.5
187.06029	0.9
199.06018	17.9
200.06386	0.7
217.07135	3.2
219.06573	0.6
229.07048	0.7
241.07098	0.7
250.07086	1.6
253.07056	6.1
254.17473	0.6
268.08157	7.8
271.08105	8.1
289.09155	1.8
351.15518	0.4
391.88354	0.5
416.15811	1.1
416.20676	2.2
417.12225	0.7
417.17041	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	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
53.18460	0.3
53.94545	0.3
55.01884	0.4
55.05521	2.3
57.03442	9.9
57.68880	0.3
59.04998	0.9
61.02931	1.6
65.03963	0.5
69.03436	2.9
71.01364	1.2
71.04997	47.5
72.05344	0.5
73.02922	3.4
75.04485	9.1
81.03402	1.3
83.04990	7.9
83.05489	0.4
85.02911	100.0
86.03253	1.4
87.04469	2.0
91.05487	24.3
92.05819	0.5
97.02901	7.7
98.23100	0.3
99.04465	1.3
101.02393	0.3
101.06030	1.0
103.03952	1.1
105.07034	3.1
107.04985	0.4
107.45275	0.3
109.02890	1.1
111.04445	4.6
115.03970	0.6
117.07024	0.9
121.06506	0.3
127.03934	4.7
128.06253	0.3
129.05487	36.8
130.05811	0.7
133.06506	2.6
135.04453	0.4
137.09940	0.2
145.04964	2.8
145.06494	1.9
147.04587	0.6
147.06534	21.9
157.06485	0.5
161.04501	0.3
163.06047	0.7
165.07570	0.8
171.06560	0.6
175.07515	1.3
179.07085	0.3
201.09148	0.5
211.06206	0.3
225.07565	0.6
225.98262	0.3
237.07520	0.5
239.12720	0.3
255.08664	1.8
273.09738	0.7
309.11850	0.8
417.16772	1.1
417.21451	0.6
426.53302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2485
Annotation	(-)-Alatoside A
Peak:m/z	Relative Intensity
53.03949	2.3
55.05510	17.0
61.02942	2.9
67.05499	11.7
69.03420	6.4
69.07063	8.8
70.05099	6.2
70.05430	3.4
71.04996	3.2
79.05501	12.3
81.07060	34.5
83.08620	3.9
85.02917	22.8
85.06541	17.4
91.05484	7.8
93.07035	20.1
95.05005	6.0
95.08604	32.6
97.02880	5.0
97.06524	10.3
99.08089	8.9
101.06041	5.8
105.07035	32.9
107.08595	27.9
109.02856	3.1
109.06537	6.2
109.10168	13.4
111.08075	5.9
117.07049	8.9
119.08578	80.7
121.10152	44.3
123.08061	4.1
123.11723	17.0
125.09631	10.0
126.96655	2.6
131.08556	15.0
133.10143	17.1
135.11688	8.7
139.11191	9.5
145.10114	40.0
147.11700	11.6
149.13228	2.9
153.12785	4.5
159.11690	39.5
161.13194	12.4
163.11237	4.9
167.07016	4.5
173.13266	9.2
175.14809	57.8
176.15164	5.1
177.16432	3.1
201.16380	81.4
202.16669	5.3
208.54509	3.2
219.13794	3.8
219.17421	62.6
235.16876	2.8
237.14909	4.8
237.18489	78.7
238.18828	3.6
255.19557	100.0
256.20007	4.1
417.24753	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2483
Annotation	(-)-Alatoside A
Peak:m/z	Relative Intensity
53.03942	2.2
55.05509	16.7
57.03436	3.6
57.07060	2.5
67.05495	8.9
69.03422	8.4
69.07053	7.7
71.05002	3.4
72.83210	2.2
77.70870	2.0
79.05485	8.7
79.92999	2.0
81.03439	3.2
81.07063	32.7
82.07371	2.5
83.08620	4.4
85.02901	22.4
85.06537	11.7
91.05482	7.2
93.07047	27.9
95.04980	3.5
95.08607	35.2
95.09201	3.0
96.51768	2.3
96.54918	2.2
97.02887	7.9
97.06521	10.3
99.08088	7.9
101.05998	3.5
101.34280	2.2
102.63785	2.1
105.07037	33.3
107.08601	24.1
109.06532	4.6
109.10133	11.2
111.08039	3.4
117.07032	6.5
119.08579	84.6
121.10143	42.8
123.08082	2.8
123.11706	15.2
125.09620	8.6
127.03892	4.7
131.08540	18.1
133.10143	18.7
135.11688	10.7
137.09579	3.9
137.13257	7.7
139.11171	8.6
145.04916	2.5
145.10120	38.0
147.04382	3.4
147.11650	11.9
149.09589	3.9
149.13232	4.1
153.12746	4.1
159.11703	28.5
161.13251	12.6
163.11140	5.2
171.11688	2.7
173.13246	16.3
175.14821	56.6
177.12604	2.8
185.67903	2.5
192.86858	2.4
201.16386	81.2
202.16631	4.5
219.13962	3.8
219.17445	71.3
220.17749	2.8
235.16875	2.5
237.14839	5.3
237.18478	69.7
238.18750	3.0
255.19551	100.0
256.19846	5.5
323.34085	2.6
332.07654	2.4
417.20163	3.4
417.24567	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73965	0.3
57.03437	5.8
59.39780	0.3
61.02928	1.7
68.99796	0.3
69.03426	0.7
69.34974	1.4
71.50946	0.3
73.02913	13.1
81.07043	0.5
82.37119	0.3
85.02914	0.5
98.13371	0.3
98.22753	0.5
105.07056	0.3
107.04958	0.6
109.02876	0.3
111.00803	0.8
115.03937	0.7
118.85052	0.3
121.02850	2.8
127.03796	0.3
133.02820	0.6
133.05049	0.3
135.08084	0.3
137.02354	0.9
139.03896	0.4
147.04359	0.7
153.01817	4.2
157.06490	0.4
165.01875	1.9
183.02901	0.9
213.05379	1.6
231.06473	0.6
241.04932	1.0
253.35320	0.3
258.05194	1.0
259.05984	0.5
287.05484	100.0
288.05807	5.2
337.36719	0.3
346.11716	0.3
434.60345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01866	2.1
57.03437	3.3
59.04996	0.3
61.02918	0.5
68.99795	0.6
69.03440	1.5
70.00557	0.5
71.01351	0.8
73.02917	2.1
79.05524	0.2
85.02907	2.4
87.04482	0.4
91.05481	0.2
95.45181	0.2
97.02888	0.7
103.03948	0.2
105.03405	0.4
106.74606	0.2
107.04942	0.4
109.02894	0.2
111.00817	0.7
115.03944	1.2
121.02866	2.8
129.07043	0.2
133.02838	0.5
133.04962	2.0
137.02368	1.0
145.06511	0.2
147.04410	0.5
153.01830	4.3
157.06525	0.6
165.01831	2.1
171.04449	0.3
183.02841	0.9
185.06023	0.4
213.05383	1.4
220.78320	0.2
231.06548	0.8
241.04900	0.6
258.05258	1.4
259.05927	0.4
287.05496	100.0
288.05850	4.8
329.06357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1341
Annotation	Robustaside A
Peak:m/z	Relative Intensity
51.55405	0.9
54.10280	0.7
57.02863	1.0
57.03436	1.8
62.23129	0.9
65.03937	1.3
69.03440	1.5
73.02922	3.1
81.03436	4.5
84.81976	1.0
85.02908	2.2
91.05514	7.6
93.07056	1.4
95.08603	1.2
97.02924	1.0
97.64079	0.8
98.23094	1.4
100.21255	0.9
107.08521	0.9
109.02882	2.1
119.04957	23.4
119.08562	1.0
120.05271	0.9
125.93732	0.8
130.98061	1.1
132.28966	0.9
137.02365	1.0
141.02501	1.0
143.07050	1.1
145.10143	1.9
147.04424	100.0
148.04764	2.9
153.01860	0.9
165.05524	1.8
169.45389	1.0
266.09317	2.1
287.05518	18.5
291.08615	3.6
309.09750	1.7
320.66125	1.0
361.78546	1.2
419.18076	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	419.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19551	1.0
55.01883	1.2
55.05525	8.9
57.03441	2.0
58.55508	1.0
59.04998	2.0
61.02934	1.3
64.43368	1.0
67.05506	3.5
67.12489	1.0
68.46881	1.0
69.03436	13.2
69.07075	1.8
69.43684	2.4
69.44072	2.2
71.05001	4.0
73.02919	1.3
79.05502	8.2
81.03428	2.9
81.07056	6.5
83.04986	10.1
83.08627	52.3
85.02908	12.9
85.06548	1.4
87.04466	1.5
91.05498	7.1
93.07052	9.4
95.04959	1.2
95.08611	8.1
97.02902	33.1
97.06518	3.4
98.23058	4.9
99.04472	6.3
105.07036	6.5
107.08605	90.3
108.08919	1.4
109.02848	1.2
109.06548	3.3
109.10162	5.0
111.08092	3.2
115.03971	1.6
119.08613	13.8
121.06504	1.5
121.10172	9.4
123.08081	8.0
125.06007	4.8
125.09643	63.2
126.10024	1.5
127.03966	2.0
129.85912	1.5
130.05803	1.2
131.08553	1.6
135.08141	1.4
135.11696	11.6
137.09596	5.4
139.07562	2.0
145.04942	1.9
145.10107	5.2
147.08020	8.9
149.05933	1.5
153.12746	8.8
159.11736	8.9
161.09663	1.8
161.13326	1.5
163.07533	1.4
163.11189	18.0
163.12448	1.8
165.09135	16.2
167.07095	1.8
177.12770	7.3
181.10655	2.5
181.12245	45.6
182.12622	2.2
187.11209	3.0
195.13846	3.5
205.12260	29.4
211.08147	1.2
223.13312	100.0
224.13725	4.2
294.24280	1.1
364.19659	1.4
386.67688	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	419.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	12.1
56.02304	5.7
57.07047	8.2
65.85828	5.5
67.05511	20.5
68.18668	5.8
69.07076	19.0
69.58972	5.1
71.05010	18.2
71.44331	6.8
71.54196	5.9
72.26547	5.7
78.60355	5.6
79.05510	24.7
79.16026	5.5
81.07069	100.0
85.02917	13.1
91.05479	17.2
93.07057	37.4
95.04955	6.8
95.08617	24.8
97.06544	50.1
98.23012	6.2
105.03452	7.4
105.07046	30.9
106.07341	7.1
107.08611	50.4
108.70399	5.4
109.10171	25.8
119.08582	66.7
121.10168	9.4
121.22980	6.1
123.08049	6.3
123.11739	26.2
127.11236	19.7
131.08617	7.4
133.10130	46.5
135.11707	99.1
136.07582	53.4
137.13292	7.5
138.09154	6.7
143.10709	15.7
147.07965	8.0
147.11711	17.7
151.11218	7.3
153.01845	12.5
161.13293	16.5
162.62988	6.3
165.09177	7.3
172.04002	12.4
203.18031	48.4
204.06595	10.2
221.19022	27.6
223.13283	9.4
223.16931	18.3
227.93513	6.9
287.05502	10.8
325.56583	7.4
355.12811	9.3
419.20663	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	419.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.2
67.05508	12.7
69.07067	17.0
69.32123	36.8
71.04985	17.4
79.05502	36.8
81.07066	85.0
83.08605	9.8
85.02916	12.2
85.06570	9.2
91.05485	15.8
93.07034	38.5
95.08613	35.0
97.06545	52.9
99.08142	11.3
105.03410	13.7
105.07040	35.8
107.08601	49.1
109.10156	40.4
119.08624	56.9
121.10122	18.8
123.08054	9.5
123.11731	24.8
125.09597	10.2
127.11189	19.0
133.10106	40.7
135.11702	100.0
136.07599	58.6
143.10707	23.0
147.11723	20.9
153.01839	26.8
161.09671	12.5
161.13315	15.2
163.36089	9.9
203.18011	58.9
204.06583	17.1
210.92302	9.3
221.19040	33.2
223.16928	12.4
246.89528	8.5
287.05646	11.0
355.13058	15.3
418.76929	8.5
419.25107	9.8
420.27124	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	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03440	23.1
61.02931	7.6
64.84375	0.9
65.03938	1.5
69.03431	19.4
69.47233	3.7
69.47572	1.2
71.01356	2.7
71.05015	0.9
73.02921	42.6
79.05486	1.1
81.03423	3.7
81.07062	1.4
85.02907	32.4
87.04465	1.9
91.05483	100.0
92.05809	2.7
93.07043	2.8
95.04983	1.1
96.04507	1.1
97.02898	44.5
99.04472	2.1
105.07057	2.7
107.04923	1.2
107.08601	1.2
109.02886	3.1
109.06535	2.7
115.03117	1.5
115.03934	31.3
117.07030	3.2
119.08529	1.4
121.06512	20.4
121.10159	2.2
123.04441	2.2
123.08046	2.1
125.06016	1.0
127.03915	9.9
129.06996	1.6
131.08560	1.4
132.06622	1.4
133.04958	7.9
133.06503	2.5
135.08031	1.1
135.11711	1.2
139.75407	0.8
143.08589	1.5
145.04974	10.0
145.06441	2.4
145.10143	1.5
147.08046	1.3
148.35045	0.9
149.06021	0.9
149.09598	1.1
150.07616	3.1
157.06450	1.6
159.11699	1.3
161.04471	3.8
161.09663	3.8
163.06010	6.1
163.11186	2.1
165.26582	0.9
167.10666	1.0
171.08054	2.2
175.07491	1.1
175.11137	1.2
177.12752	2.7
179.10645	11.6
205.08548	3.2
205.12212	6.3
217.08592	2.5
223.06021	3.1
223.13283	18.3
223.15271	1.7
235.09686	1.8
241.07062	3.4
241.14410	7.4
247.20332	1.1
253.10698	4.1
259.08136	4.0
271.12057	1.0
288.14395	1.0
289.07571	0.8
289.11197	1.1
295.10211	3.7
312.50336	1.0
420.18298	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	420.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52204	2.4
55.01878	8.8
57.03446	17.0
59.04993	5.9
61.02934	14.2
65.03944	3.9
67.05503	3.5
68.86007	1.9
69.03443	31.4
71.01365	3.4
73.02925	76.1
81.03412	10.1
83.05004	2.6
85.02915	67.1
87.04490	5.0
91.05487	100.0
91.16858	2.2
92.05826	3.2
93.07044	6.1
95.05009	3.3
95.08617	15.4
96.04462	2.0
97.02905	60.9
97.06529	4.9
98.19683	2.4
98.22575	3.8
98.23264	16.6
99.04467	7.8
99.84873	2.2
103.03957	3.6
103.05452	3.1
105.07040	9.3
107.04990	2.3
107.08566	4.6
109.02895	5.5
109.06524	11.3
111.08066	2.3
115.03941	26.3
117.07024	11.3
119.08601	4.0
121.06506	14.0
121.10131	5.9
123.08064	6.5
125.09693	2.7
127.03941	23.6
129.07027	4.8
131.04939	8.7
131.08559	7.9
133.04985	30.8
133.06516	8.4
133.10139	4.3
135.08099	5.3
137.05977	37.1
137.09631	5.6
139.11200	2.9
145.04985	30.7
145.06496	12.2
145.10129	8.5
147.04431	3.5
147.08078	3.3
149.09641	7.4
150.07669	5.7
157.06535	5.6
159.11635	5.1
161.09628	13.2
163.06067	10.6
163.07559	25.3
163.11182	20.1
163.70139	2.3
165.09169	3.0
167.07167	2.3
175.11227	4.1
177.09132	16.0
177.12691	4.9
179.10684	10.4
187.11295	2.7
193.12225	19.6
205.08586	22.2
205.12299	26.5
217.08640	3.5
223.06058	4.7
223.09715	24.8
223.13277	32.8
235.09659	2.8
241.07120	7.7
241.10736	7.6
241.14264	12.5
259.08176	10.0
295.10321	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
54.12177	0.8
55.01868	1.1
55.05503	1.1
57.03423	0.8
67.05497	1.4
69.03430	3.2
69.07069	2.1
71.04984	0.9
77.49599	0.8
79.05502	2.5
81.03422	3.6
81.07064	4.2
83.04990	1.0
85.02905	4.9
91.05518	1.1
93.03423	2.5
93.07041	5.8
95.04964	2.2
95.08581	3.8
97.02892	2.1
97.06516	0.7
99.04466	0.8
104.99268	1.0
105.07034	5.8
107.04963	1.9
107.08574	4.6
109.02793	1.1
109.06505	3.7
109.10173	2.8
117.07035	1.4
119.08596	3.8
121.06501	2.6
121.10136	4.5
123.04435	5.6
123.08077	2.0
123.11720	2.8
125.02354	32.9
127.03941	1.7
131.08586	1.0
133.10149	1.3
135.04399	4.6
135.08080	1.1
135.11710	2.5
139.03902	29.4
147.08153	0.8
149.05972	1.6
149.13283	3.0
153.05469	88.4
154.05836	2.3
154.65962	0.8
159.11708	6.6
160.12103	0.9
161.06020	1.4
161.13237	1.9
163.07553	3.1
163.11183	1.9
167.07054	7.8
177.12761	16.4
179.14326	2.4
181.06505	1.3
187.11252	1.0
201.79414	0.8
203.07076	1.5
205.12219	8.5
208.90004	0.8
223.13292	100.0
224.13657	3.7
241.14339	22.5
242.14661	0.9
259.13245	2.2
274.97427	0.9
290.71423	0.8
364.48627	1.0
383.99219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01863	2.0
57.03436	17.6
61.02926	6.8
69.03431	19.9
71.01342	2.3
71.04964	2.5
73.02922	43.9
79.05492	2.5
79.98904	1.2
81.03417	9.9
83.04981	3.1
85.02905	38.6
85.55569	1.2
87.04465	3.7
91.05483	100.0
93.07031	9.1
95.04962	5.8
95.08599	2.1
97.02893	42.6
97.06541	1.6
99.04465	4.8
103.05450	2.1
105.07056	5.7
107.04954	2.6
107.08607	4.0
109.02892	5.6
109.06531	10.2
109.10175	1.5
115.03930	28.3
117.07010	4.2
119.08567	4.3
121.06507	67.3
121.10117	6.8
123.04440	5.9
123.08067	3.7
125.05987	3.7
127.03909	10.8
129.07018	1.9
131.04916	2.8
131.08582	3.1
132.06581	1.7
133.04961	8.1
133.06514	4.2
133.10120	2.9
135.08047	4.0
135.11693	2.5
137.05980	11.2
137.09593	3.2
139.07568	3.1
143.08566	1.7
145.04974	11.9
145.06467	4.3
145.10114	3.0
147.08052	3.5
149.06033	2.3
149.09628	5.3
150.07614	4.9
151.11176	2.2
157.06525	1.4
159.08109	1.7
159.11707	3.5
161.04445	3.0
161.09615	10.7
163.06017	4.1
163.07532	7.1
163.11159	5.0
165.09120	3.8
167.10735	2.8
172.08875	1.5
175.11156	1.9
177.09082	4.4
177.12747	13.9
179.10675	45.0
183.10248	1.5
187.07660	1.3
187.11188	1.6
193.12282	4.3
205.08745	6.6
205.12247	16.7
211.13272	1.9
217.08598	4.1
223.06105	2.7
223.09889	8.5
223.13292	57.1
224.13699	2.3
235.09520	1.9
241.07146	3.8
241.10809	2.5
241.11858	2.0
241.14331	21.8
253.10738	3.5
259.08142	4.4
295.10333	1.9
355.53958	1.3
420.18201	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18333	0.4
55.05505	0.7
57.03430	0.6
59.04982	0.6
61.03757	0.3
67.05499	0.9
69.03070	0.6
69.03430	11.0
69.07060	1.7
69.99911	1.0
71.04982	1.4
73.06559	0.4
75.01940	0.4
79.05477	1.2
79.55362	0.4
81.03449	0.5
81.07056	3.2
82.61977	0.3
83.04957	1.2
83.08607	1.8
84.91843	0.4
85.02898	2.4
85.06553	0.6
91.05486	0.5
93.07050	5.0
95.04950	1.0
95.08604	9.0
97.02890	21.8
97.06523	1.8
98.22769	0.7
105.07034	3.2
107.08592	4.9
108.08941	0.8
109.06512	2.8
109.10145	1.5
111.04429	0.9
111.08067	2.0
111.11758	0.4
112.05382	0.4
114.79698	0.4
119.08588	1.7
121.10143	7.2
123.08061	4.6
125.05987	1.1
125.09623	1.6
126.09930	0.7
135.11688	5.6
136.11987	0.4
137.09608	2.6
139.07530	0.5
139.11200	3.3
145.10141	4.4
147.08038	1.1
153.12694	2.7
159.11626	0.5
163.11162	5.5
165.07860	0.7
165.09122	9.1
181.12225	23.8
182.12575	1.3
205.12202	1.3
206.12585	0.5
223.13283	100.0
224.13582	5.3
291.57550	0.4
421.14761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1108
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
51.97525	0.3
53.03939	0.3
56.38994	0.3
57.03457	0.3
58.65134	0.3
67.05466	0.3
68.10493	0.3
69.03429	0.4
71.22773	0.5
79.05474	0.4
81.03405	1.4
83.04974	0.4
85.02895	0.6
85.06523	0.4
94.05878	0.3
95.04982	0.3
95.08592	0.3
98.98450	0.6
105.07018	0.6
119.08560	0.4
121.10101	0.5
143.01051	2.7
155.01077	0.3
161.02071	1.1
185.04207	8.8
189.75290	0.4
193.12245	0.6
203.05255	0.5
205.13147	0.3
213.10135	0.4
224.09669	0.4
233.99748	0.3
259.05780	5.7
267.15909	1.1
289.88583	0.4
304.73407	0.3
305.06268	0.5
323.07379	6.7
324.07462	0.4
338.96661	0.4
357.10950	0.4
371.12180	0.6
389.12976	0.4
421.10873	100.0
422.11188	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	421.1857
Annotation	Stilbostemin H 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02372	0.6
53.03949	2.9
55.01870	2.9
55.05502	2.0
57.03429	2.1
59.02700	0.5
65.03941	2.4
67.05505	12.5
69.03429	11.2
69.07059	1.9
69.87889	1.3
69.88259	1.4
73.02953	0.7
74.98647	0.5
75.04470	0.9
77.03927	0.8
79.05489	7.1
81.02959	1.3
81.03419	17.7
81.07053	9.0
83.04964	1.0
83.08622	0.9
85.02905	7.5
91.05479	7.4
93.07043	26.8
95.04964	14.3
95.08617	6.7
97.02898	3.1
97.06516	1.2
97.10159	1.6
99.04445	2.3
103.05447	1.1
104.99264	0.6
105.04531	0.6
105.07025	4.7
107.04951	10.6
107.08592	6.8
109.02881	7.4
109.06529	1.9
109.10162	13.1
110.03693	0.6
111.04453	1.4
111.08108	1.2
117.06992	1.3
119.04922	1.0
119.08581	16.5
121.06520	3.7
121.09261	1.3
121.10143	25.1
123.04429	100.0
123.08058	2.0
124.04771	2.3
125.09612	4.4
127.03903	3.6
129.05484	1.0
129.07028	1.3
131.08594	3.1
133.06520	1.5
135.04391	7.0
135.08052	3.9
137.02353	5.0
137.05984	6.3
137.09613	8.8
143.08569	0.7
145.04958	1.2
145.06499	2.1
145.10135	0.7
147.04404	8.7
147.08078	1.6
147.11742	0.6
148.05009	0.6
149.06004	5.4
149.09602	8.8
157.06467	1.5
159.08012	1.4
160.05164	1.2
161.05981	18.7
163.03934	2.2
163.07539	41.8
164.07967	1.5
165.05501	1.0
167.08620	0.8
167.10658	6.0
171.08028	2.1
173.05963	1.3
174.06694	0.7
175.07545	10.7
177.05449	2.1
177.09094	3.1
185.06058	1.1
187.07545	2.1
189.05496	3.0
189.09149	1.4
190.06195	1.0
199.07553	2.7
201.09201	3.3
203.07028	26.3
203.10664	15.9
204.07397	0.8
205.08560	1.4
211.07561	0.8
213.05424	1.7
213.09142	1.6
213.12766	1.9
217.08574	1.1
217.12157	0.8
226.09911	1.9
231.06552	2.1
231.13768	8.1
232.14360	0.7
241.12233	17.9
242.12518	1.1
255.13718	0.7
259.13290	48.9
260.13663	2.7
265.10696	2.7
271.09641	1.0
279.11975	0.7
281.13751	1.4
283.13184	1.5
293.13873	1.2
338.96851	0.7
339.15964	0.9
349.14325	0.7
367.15381	2.1
385.16510	2.2
403.17490	11.5
404.18042	0.8
421.18494	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	422.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
69.04638	0.6
69.44532	1.4
69.44926	1.6
69.57427	0.6
71.04642	0.7
71.05000	11.1
79.05466	0.9
81.07053	1.7
83.04992	1.0
83.08627	3.6
85.02918	1.2
93.07027	0.8
95.08620	1.5
99.04464	43.0
100.04773	0.9
105.07047	1.1
107.08607	12.9
108.08921	0.6
109.05840	1.1
109.06523	10.5
109.10152	0.8
113.09627	1.9
119.44908	0.6
121.10149	3.4
123.08073	8.1
123.11722	5.2
125.09637	4.2
131.08539	1.0
137.09612	0.9
139.11081	0.6
141.12776	1.1
147.11662	2.2
149.09619	3.7
165.12759	7.4
167.10698	18.3
167.56346	0.9
168.11034	0.9
172.28766	0.7
183.13811	14.8
189.12714	1.2
207.13907	1.0
216.16061	0.7
225.14870	100.0
226.15227	4.5
290.03900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05523	4.8
59.05000	2.6
67.05500	6.7
67.12601	1.9
69.03440	3.9
69.07069	5.5
71.04984	2.9
73.06561	1.6
79.05490	5.6
81.07058	26.8
83.05000	1.6
83.08639	3.4
85.02917	3.6
85.06535	3.5
91.05479	4.5
93.07041	42.9
93.07610	3.1
95.04967	10.6
95.08615	12.6
97.06533	15.8
99.08086	2.8
105.07047	10.2
107.08598	23.6
109.06513	8.9
109.10174	3.9
111.08082	14.6
113.05987	2.8
113.09667	2.0
119.08630	7.6
121.06565	2.1
121.10146	4.6
123.08077	3.9
123.11707	24.8
124.12059	1.7
125.09631	3.8
127.07581	2.0
135.08058	12.5
137.09669	1.6
137.13220	4.4
145.10081	2.5
147.11694	23.5
153.09132	2.1
161.13217	5.2
165.11479	2.6
165.12775	27.7
169.08612	7.2
171.11699	2.4
180.09067	1.8
183.13800	77.7
184.14183	3.0
189.12698	8.2
194.52968	1.6
207.13799	37.2
207.15581	2.8
208.14119	1.6
211.16949	1.9
217.69341	1.7
225.14847	100.0
226.15230	3.9
243.15919	44.1
283.90723	1.6
437.40036	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
69.03442	1.9
69.07064	2.0
71.04996	15.7
71.23149	2.7
79.05505	2.0
81.07047	4.2
81.47492	2.0
83.04980	3.0
83.08613	5.3
85.02900	6.4
91.05468	3.9
93.07069	2.9
93.90767	1.9
95.05000	3.9
95.08615	5.9
98.51191	1.7
99.04456	58.8
105.07011	2.9
107.08599	29.7
107.77354	1.9
108.43695	2.1
109.06491	12.3
109.10207	4.2
113.09644	2.3
119.08613	2.3
121.10126	13.3
123.08068	36.2
123.11725	9.0
125.09663	9.9
130.79929	1.9
130.81769	1.8
131.08620	2.7
147.11708	4.2
147.59587	1.9
149.09618	13.2
151.07568	2.9
165.12743	11.4
167.10663	22.5
179.14279	3.7
183.13808	20.6
189.12723	4.3
195.13800	6.1
207.13860	16.7
215.75537	2.0
224.92836	2.1
225.14851	100.0
226.15099	3.5
372.22229	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	423.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	0.8
56.96567	13.9
70.34177	1.1
70.98127	4.8
71.05002	0.6
74.06114	0.6
83.51218	0.5
83.61800	0.5
84.96033	1.3
85.02906	0.5
87.78173	0.7
88.99172	1.0
95.05013	0.5
98.97583	100.0
100.99150	2.0
110.97575	3.6
115.00687	1.5
116.98623	31.3
123.11089	0.6
124.99139	0.8
128.98598	2.2
131.00136	1.2
133.01718	1.9
134.99657	5.5
143.00188	2.5
146.99698	0.9
151.00653	0.6
152.98605	0.6
157.01741	0.9
158.99661	3.7
159.38501	0.5
161.01198	1.0
169.01732	3.3
170.99657	1.3
175.02773	1.3
177.00768	2.3
187.02791	9.2
199.02783	9.1
201.00757	0.8
201.04311	1.5
205.03839	4.2
211.02766	38.8
212.03172	1.2
217.03839	10.5
219.01746	9.8
219.05275	0.8
229.03836	64.3
230.04219	1.5
235.04921	0.7
237.02792	11.2
243.05412	55.7
244.05707	1.5
247.04872	5.7
252.05420	1.0
255.05515	0.7
260.48441	0.7
261.06476	16.6
262.06763	1.2
271.04883	18.2
283.58582	0.6
284.07947	1.0
303.07465	10.5
304.07928	0.5
331.07053	0.9
363.09586	1.3
381.10867	1.3
423.11728	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	423.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
57.03436	1.1
65.03944	0.8
67.05503	10.4
69.03425	6.8
69.07069	0.8
70.33278	0.7
70.33580	0.9
71.01350	5.7
71.04993	78.9
81.03415	3.9
85.02905	9.6
85.06533	0.9
86.63200	0.5
87.04507	0.7
89.02393	17.9
91.05479	0.7
95.04967	21.0
97.02894	9.2
99.04454	2.5
109.02878	6.5
110.06010	0.6
113.06006	73.5
114.06334	1.7
121.10165	2.1
122.10493	1.1
127.03921	7.1
127.97595	0.7
131.07037	100.0
132.07353	1.8
144.70078	0.6
145.04984	5.3
149.08095	9.9
164.11513	0.6
165.31609	0.6
173.08067	0.9
191.09140	1.0
215.05428	0.8
221.08006	0.9
226.15219	1.0
239.09146	2.0
257.10181	12.3
258.10385	0.8
267.16235	0.6
272.69678	0.6
275.11234	7.1
281.21402	0.7
291.75177	0.7
293.12457	1.2
387.16513	7.2
418.92654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89171	0.9
53.03944	1.3
55.01867	1.1
55.05515	1.0
57.03420	1.2
65.03934	1.3
67.05503	11.9
69.03429	7.9
69.07044	2.0
71.01350	8.4
71.04991	86.5
71.19396	1.0
81.03415	7.2
81.07047	1.0
83.04998	1.7
85.02899	30.6
85.06577	1.0
88.26838	0.9
89.02393	20.4
89.06018	1.7
93.07022	1.0
95.04971	17.3
97.02890	6.1
98.23029	1.5
99.04450	3.5
107.08619	1.0
109.02867	5.8
111.04432	3.4
112.00551	0.8
113.06001	100.0
114.06384	2.0
121.10136	3.7
122.10474	2.6
127.03915	11.8
129.05490	1.5
131.07037	72.1
132.07411	1.9
145.05002	5.8
149.08078	18.1
153.01819	6.4
159.06509	8.6
163.03909	1.2
173.08083	3.2
185.37500	1.0
187.05984	1.2
191.10718	0.9
201.34966	0.9
209.06111	0.9
225.11247	1.0
226.15247	1.2
233.87128	1.0
239.09215	1.4
255.04994	1.0
257.10251	6.5
266.23849	1.0
275.11240	2.8
282.98962	1.2
283.96240	1.7
298.98459	1.1
317.12164	1.3
322.98474	5.4
387.16080	1.4
401.01721	1.5
423.12543	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	423.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
54.01234	0.8
57.05371	0.9
67.05508	13.0
69.03426	7.7
69.07093	1.7
69.14851	4.0
70.63834	1.0
71.01351	10.2
71.04993	87.3
72.05295	1.3
73.38182	0.9
81.03422	5.0
85.02908	10.9
85.06568	1.0
89.02393	22.0
95.04974	20.0
97.02893	10.5
99.04461	3.5
109.02871	5.4
113.06009	74.4
114.06353	1.5
121.10161	1.3
122.10510	1.2
123.08042	1.2
127.03905	6.9
131.07043	100.0
132.07443	1.8
145.04951	6.5
149.08084	9.1
191.09285	1.3
199.32735	0.9
225.15054	1.2
226.15233	1.3
239.09122	2.5
255.63702	0.9
257.10239	9.3
261.27014	0.8
275.11340	5.4
293.12335	2.2
387.16525	6.8
397.82056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01853	1.1
55.05515	6.6
57.03443	2.7
57.07078	3.7
60.46019	0.9
65.03950	1.4
67.05514	19.1
69.07082	12.0
71.04983	1.6
71.08659	2.5
75.90549	0.9
79.05496	6.4
81.07069	17.2
83.04977	1.4
83.08620	5.1
85.06569	2.0
88.93168	0.9
91.05505	4.3
93.07058	9.7
95.04986	2.0
95.08618	13.7
97.06538	1.6
97.10236	1.5
98.22582	1.4
105.07052	5.2
107.08595	9.4
109.06522	11.7
109.10173	10.1
111.08115	2.9
117.06963	1.0
119.08575	6.0
119.68951	1.1
121.10193	5.0
123.08082	39.6
123.11682	1.3
131.08594	3.3
133.10159	4.1
135.08043	7.2
135.11749	2.2
137.09633	3.2
137.34779	1.1
145.10109	2.6
147.11719	2.9
149.09676	2.0
149.13292	2.7
159.11746	3.5
161.13254	1.7
163.11282	1.2
169.10158	1.3
173.11909	1.5
173.13287	1.9
175.14867	1.4
177.12779	3.9
179.14328	32.7
185.13557	1.2
263.20135	2.1
272.61014	1.2
275.20163	2.7
293.21243	3.3
303.26935	3.2
311.80542	0.9
331.26343	25.6
332.26721	1.8
349.27484	5.6
366.17230	1.0
367.25021	2.3
389.26678	3.1
405.30392	2.0
423.31213	100.0
424.31619	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	424.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78519	0.6
56.96563	6.9
61.22622	0.6
69.82604	0.6
69.82945	2.0
71.50046	0.5
77.46318	0.6
80.68186	0.6
98.97583	100.0
102.96819	0.6
108.99689	0.5
116.98624	44.0
121.92035	0.6
124.66635	0.6
126.80863	0.7
134.98682	1.0
134.99646	9.3
135.00577	0.7
137.15100	0.5
140.00246	0.7
216.98805	1.5
234.99892	1.6
240.98683	6.8
258.99768	74.3
259.99872	4.0
261.03012	0.8
262.03293	0.7
263.02905	0.8
274.97556	2.6
277.00815	70.4
278.01004	5.5
280.97876	0.8
282.96951	0.8
282.99915	4.1
292.98520	1.4
294.56940	0.7
295.01852	0.9
300.02405	1.4
301.00961	4.1
382.99838	7.9
383.99884	1.1
401.00980	25.0
402.00992	3.1
419.01920	4.8
425.01050	1.9
442.19312	0.7
443.02176	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	424.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
57.07098	0.8
65.03944	1.3
67.05502	1.9
69.03394	0.8
69.07063	1.3
71.44296	1.0
79.05522	1.2
85.02897	2.5
91.05488	100.0
92.05814	1.8
98.22885	0.9
100.11270	2.4
109.10214	1.3
112.36938	0.8
122.13635	1.1
149.09573	1.0
173.77448	0.9
182.15430	2.4
184.26141	0.9
210.14938	1.2
227.12863	1.4
324.44830	1.1
351.74362	2.1
425.21603	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	424.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
60.11171	1.0
63.29949	1.1
67.05506	4.3
69.03415	2.7
69.07069	4.6
69.74403	4.2
71.04984	1.4
71.88549	1.0
79.05492	2.3
81.07052	5.7
83.04993	1.5
85.02894	3.8
85.06549	2.6
91.05447	2.3
92.45853	1.0
93.07043	11.8
95.04984	2.6
95.08614	4.7
97.02901	2.3
97.06528	5.5
98.22812	1.6
99.04441	5.4
105.07021	9.2
107.08593	20.4
109.06496	3.5
111.08098	1.7
112.54739	1.1
113.06051	2.3
116.70564	1.0
119.08582	4.1
121.06510	5.5
121.10145	12.0
123.08049	3.9
127.07560	1.6
135.08052	2.1
135.11664	6.5
145.10129	9.1
147.11655	1.5
149.09604	4.2
151.07538	3.4
163.11174	27.2
163.20317	1.2
164.11510	1.8
167.10640	7.8
169.08606	40.3
173.09637	1.4
181.12228	12.4
185.11717	4.8
191.10655	13.2
209.11745	17.9
227.12769	100.0
228.13130	3.4
245.13843	4.8
353.16080	1.4
371.16922	1.5
396.02109	1.2
425.17645	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50580	1.2
55.01867	5.4
62.37757	1.6
65.25213	1.3
67.05503	4.7
69.03427	11.5
69.07073	7.3
69.34731	3.5
69.35139	5.1
71.05004	4.4
79.05492	4.5
81.03419	2.1
81.07059	8.9
83.04958	1.7
85.02897	3.4
85.06528	6.1
91.05480	2.6
93.07052	18.8
95.04974	3.7
95.08598	5.5
97.02899	4.3
97.06516	5.1
99.04457	10.6
105.07015	15.2
105.07634	1.6
107.04906	2.2
107.08594	30.0
109.02879	1.7
109.06512	7.1
111.08074	3.4
113.06013	2.6
119.08573	4.2
121.06509	8.6
121.10146	22.1
123.08089	4.0
127.03927	3.4
127.07505	1.7
127.11176	1.5
135.08038	1.6
135.11693	10.2
139.11151	2.6
145.10132	15.9
147.11705	4.1
149.05923	1.7
149.09659	7.5
151.07568	3.1
153.59497	1.6
157.46823	1.3
161.60452	1.5
162.56696	1.6
163.11180	47.7
167.10689	21.2
169.08607	32.8
170.08926	1.7
173.09599	3.9
181.12230	16.8
184.43776	1.4
185.11746	5.3
191.10664	33.0
192.11026	1.5
201.03651	1.7
209.11723	27.0
209.13512	2.4
209.15320	1.4
211.90941	1.6
227.12778	100.0
227.16403	3.0
228.13080	5.3
233.83965	1.4
245.13837	3.4
305.10144	1.5
312.82227	1.3
353.15884	5.5
366.33743	1.4
371.17038	12.3
389.18140	8.8
397.43793	1.5
425.17865	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33376	1.5
53.15839	1.4
55.05511	10.2
57.07078	1.9
58.57674	1.5
67.05505	4.5
69.03417	5.9
69.07061	5.7
69.34060	3.5
69.34457	5.5
71.04996	5.1
73.51913	1.4
79.01867	2.4
79.05506	3.8
81.03419	6.7
81.07063	5.8
83.04984	8.4
83.08604	8.0
85.02908	11.3
85.06517	3.4
91.05483	2.4
93.07056	9.4
95.04972	34.5
95.08594	7.2
97.02886	7.3
97.06509	3.3
97.10109	1.5
98.22710	3.1
99.04456	5.5
105.07043	4.8
107.08592	14.8
109.02901	4.8
109.06492	7.3
109.10178	10.6
110.06123	1.4
111.08087	4.2
113.05984	3.4
115.07590	2.3
117.23830	1.5
119.08604	6.4
121.10144	47.6
123.04428	1.9
123.08018	2.0
123.11773	3.5
125.09628	3.6
127.03912	5.2
127.07652	1.4
131.08618	3.4
133.10143	12.9
135.08089	3.0
135.11760	1.5
139.11165	23.3
139.12141	2.0
143.03398	3.1
145.04939	2.4
145.10172	1.9
147.11633	2.4
149.13271	5.1
151.11180	12.8
153.01833	68.5
153.02905	3.3
153.09071	9.4
158.10905	1.8
163.14812	10.9
167.14302	13.5
171.02847	7.7
173.13266	9.4
191.14314	16.1
191.90410	1.3
209.15375	100.0
210.15678	3.2
227.16406	3.4
297.06036	5.6
315.07404	1.5
322.98560	4.0
371.20560	1.5
397.89053	1.5
424.26526	2.7
425.01450	2.4
425.18051	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	424.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.05510	2.6
57.02359	1.0
57.03431	2.7
61.02934	1.5
67.05498	3.4
69.03429	2.6
69.07076	10.6
69.22187	4.3
71.04980	3.8
71.08267	0.9
79.05481	6.1
81.03398	1.4
81.07060	42.8
82.07363	1.2
83.04979	5.7
83.08613	4.0
83.21607	0.9
85.02888	5.7
85.06525	1.4
91.05482	4.2
93.07053	12.1
95.04968	7.3
95.08598	6.3
97.02913	1.3
97.06531	3.3
99.04466	2.6
99.08079	11.0
105.07022	5.9
107.08592	20.9
107.09264	1.8
109.02903	1.0
109.06518	5.9
109.10148	10.7
111.01195	1.0
111.08096	7.2
113.06058	1.4
115.07597	1.2
119.08592	3.0
121.06506	4.2
121.10146	18.8
123.08068	4.3
123.11703	3.8
124.07595	3.8
127.07559	3.2
131.08580	2.5
132.24123	0.9
133.10123	9.8
135.08041	10.2
135.11703	10.0
137.09601	3.1
137.13292	1.0
139.07532	1.0
139.11189	2.3
141.09131	1.2
145.10135	2.2
147.11682	7.5
149.09631	3.4
149.13258	10.2
151.11194	3.3
152.07042	6.4
153.01796	1.7
153.09132	2.1
153.12738	2.4
156.29025	0.9
158.10945	1.2
163.14825	10.3
165.12758	23.8
173.13275	9.1
191.14313	30.4
205.09656	1.0
209.15375	69.9
210.15700	2.8
227.16425	100.0
228.16718	2.7
241.85625	0.9
244.09674	1.3
245.11494	1.3
261.05695	1.2
262.05869	1.2
280.06860	2.1
353.63141	1.0
382.10046	1.5
424.16721	2.0
425.17950	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.0
60.30164	0.9
60.68833	1.0
61.45485	0.9
67.05504	2.6
69.03407	1.4
69.07061	3.7
70.61353	1.7
71.04987	1.5
79.05494	2.6
81.03416	0.9
81.07056	4.7
83.04974	6.0
83.08619	11.1
83.42959	0.9
85.02902	2.5
85.06536	1.5
91.05430	1.0
93.07040	10.7
95.04961	7.6
95.08598	3.1
97.06525	5.1
99.04431	1.8
99.08072	0.9
105.07024	2.8
107.08591	13.8
109.06514	5.2
109.10186	5.7
111.08064	1.5
113.06003	1.5
113.09619	1.0
115.07554	7.0
117.69008	1.1
119.08572	3.9
121.09264	2.0
121.10142	38.2
123.11742	1.4
125.09611	3.8
131.08527	1.5
133.10127	7.2
135.08076	1.4
135.11690	2.2
139.11131	1.1
145.10150	1.1
147.11662	2.8
149.13248	3.0
151.11177	12.5
153.01787	1.6
153.09138	5.9
155.37822	1.0
158.10864	1.1
163.14809	9.4
167.14313	16.5
173.13274	6.8
175.14795	1.4
191.14302	13.5
193.16068	1.1
209.15363	100.0
210.15639	4.2
227.16405	9.7
425.18423	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
55.05265	0.5
55.05514	5.2
63.03902	0.4
67.05501	3.9
69.03433	1.2
69.07075	1.0
69.22906	1.1
69.23318	1.3
71.04990	8.1
79.05481	2.7
81.07058	3.8
83.04965	0.8
83.08618	3.9
85.02892	1.8
85.06540	1.2
87.04469	1.4
88.17249	0.4
91.05467	1.2
93.07047	3.1
94.09851	0.6
95.08582	2.2
97.02876	0.6
97.06528	16.2
97.09595	0.7
97.10170	7.4
98.06888	0.5
107.08597	4.2
109.10162	3.1
111.08070	0.8
117.07001	1.2
117.47560	0.4
121.10144	0.7
125.09646	5.6
131.08549	1.1
133.10126	1.5
135.08041	1.5
135.11652	1.3
149.13266	1.8
149.40508	0.5
159.11703	0.8
165.12776	0.5
173.11711	0.5
177.12733	1.5
195.13809	10.4
203.12895	0.7
217.22693	0.4
227.16405	100.0
228.16789	3.8
327.47226	0.5
393.13718	0.5
424.20297	1.4
425.16382	0.9
425.21387	3.5
425.26129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03951	0.8
57.03435	0.7
62.00699	0.6
69.03423	3.2
69.48508	0.9
69.48901	1.2
71.04992	1.8
79.01854	4.3
81.03419	10.1
82.03748	0.8
85.02911	5.5
85.38860	0.4
97.02900	6.5
98.22720	0.9
99.04465	1.3
103.89863	0.5
107.01312	2.5
107.01969	0.5
109.02882	6.1
115.64644	0.4
121.10154	0.7
125.02369	3.8
127.03928	7.3
143.03404	5.0
145.04996	1.4
153.01831	100.0
153.02892	4.8
154.02155	2.2
169.99689	0.5
171.02896	9.9
237.03864	0.5
245.67140	0.5
255.05090	0.7
297.03015	0.8
297.06094	11.4
298.06332	0.8
315.07086	4.0
367.13647	1.5
425.18060	5.6
449.49783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1078
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
53.03942	1.6
57.03428	0.7
69.03439	2.7
71.14211	0.7
71.74482	0.6
79.01858	2.8
81.03422	8.0
81.07052	0.6
85.02918	2.9
94.97039	0.5
97.02882	5.6
99.04458	0.9
105.26450	0.7
107.01300	1.6
109.02875	4.8
114.44244	0.6
124.90588	0.7
125.02332	3.5
127.03911	6.5
143.03401	5.1
145.04977	1.3
153.01826	100.0
153.02875	4.3
154.02173	1.8
171.02890	9.9
234.72835	0.7
255.04973	0.7
278.18018	0.6
297.03000	0.9
297.06064	9.9
315.07150	4.1
398.64255	0.6
418.99820	0.6
425.17682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1572
Annotation	Eprosartan
Peak:m/z	Relative Intensity
55.05471	0.4
66.37365	0.4
69.38542	1.0
69.38934	0.9
70.46283	0.5
84.79094	0.5
95.08607	0.5
101.05875	0.5
105.07022	0.5
123.08052	0.6
133.06522	0.5
137.09656	0.5
147.04405	0.7
147.11755	0.5
153.01788	1.8
169.30011	0.6
203.05301	0.7
222.46561	0.4
245.11435	1.0
263.12469	2.0
309.98679	0.5
397.18274	1.0
424.75839	0.8
425.15634	100.0
426.16000	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1578
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
59.98067	1.7
61.02673	1.5
69.28865	8.0
98.23309	5.2
121.10217	1.9
131.43816	1.9
224.42342	1.6
425.15796	100.0
425.21490	12.3
426.16086	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	425.1575
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
55.30129	0.6
81.07037	0.9
91.33599	0.5
127.08605	0.5
147.11679	0.8
147.85777	0.6
153.11003	0.5
205.84297	0.6
214.99268	0.7
339.53470	0.6
397.18240	2.5
425.15674	100.0
426.16083	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	425.1575
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
81.07060	1.4
84.02559	1.1
85.02893	1.4
87.21601	1.0
97.06470	1.0
105.06990	1.5
107.18622	1.1
110.54433	0.9
127.03804	1.0
229.14369	1.8
351.47525	1.2
379.93564	1.1
425.16403	100.0
426.16220	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	425.1575
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
54.20936	0.6
67.05494	0.8
69.67086	2.5
72.61513	0.6
81.07076	1.3
83.05006	0.6
85.50150	0.6
98.23371	1.0
108.08948	0.6
135.08101	0.7
135.11650	0.6
154.84067	0.6
184.12796	0.7
277.65637	0.7
363.21591	1.0
402.51273	0.7
407.24228	2.0
425.15817	100.0
425.21115	8.8
425.25974	9.4
426.16132	6.7
426.21225	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	425.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15863	0.6
57.26902	0.5
61.11804	0.5
98.09686	1.0
98.97594	1.0
123.08177	0.7
137.02327	2.2
147.04453	1.0
153.01828	0.7
179.98074	0.6
181.92513	0.6
185.04211	0.8
201.03760	1.1
203.05238	1.4
205.12115	0.7
244.00014	0.6
245.11641	1.5
263.12503	1.2
287.07196	0.7
328.54163	0.6
420.74808	0.7
420.80899	0.7
425.17844	100.0
426.17615	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
69.41550	1.0
69.41957	1.8
72.51090	0.4
75.45686	0.4
95.64153	0.5
98.23478	0.8
151.60391	0.5
172.80574	0.4
173.45142	0.5
245.11514	0.6
425.18015	100.0
426.18387	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	425.1783
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
66.59584	0.3
69.03425	0.4
69.46594	1.0
85.02905	0.3
93.07070	0.4
95.08638	0.5
97.02904	0.5
121.10172	0.6
123.08138	0.4
145.10165	0.4
163.11203	0.5
181.12286	1.1
182.12643	0.5
201.03601	0.7
203.05293	0.8
205.08459	0.4
209.83900	0.3
228.13286	0.4
245.11514	2.3
260.14590	0.3
263.12576	0.6
367.13876	0.3
397.18649	0.4
407.17087	0.4
425.17865	100.0
426.18219	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	425.1787
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
50.91542	0.4
55.01875	0.5
60.87605	0.5
62.13330	0.5
67.05506	1.3
69.03439	1.2
69.07066	0.7
69.62165	0.5
71.35727	0.5
79.05502	0.6
81.03454	1.1
81.07070	1.4
83.04980	0.8
83.08625	0.6
84.15620	0.5
85.02917	1.0
91.05522	0.7
93.07073	1.4
94.07396	1.1
95.04971	0.7
95.08640	0.9
97.02913	0.8
99.01357	0.5
105.07055	1.2
107.08627	2.4
108.08928	1.0
109.02882	0.6
109.10235	0.8
119.08602	1.1
121.06547	1.8
121.10167	1.7
122.10532	1.6
123.08114	1.4
135.11655	0.8
145.10175	1.4
146.10570	0.8
147.08044	0.5
149.09605	0.6
163.11240	3.4
164.11543	2.5
165.09192	1.2
181.12263	1.6
182.12651	2.2
191.10645	0.8
192.11107	1.9
201.03802	1.4
203.05357	1.7
205.08382	0.7
209.11806	1.2
210.12164	1.6
210.15936	0.6
227.12863	2.5
227.16341	0.9
228.13101	3.2
228.16765	0.9
245.11432	2.9
263.12680	1.2
281.69467	0.6
286.41025	0.5
327.14642	0.5
354.16422	1.0
367.13669	9.3
397.18503	0.7
399.10364	0.5
407.16956	2.3
425.17886	100.0
426.18185	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14833	0.6
66.00838	1.1
69.27878	3.1
69.28296	1.2
73.36191	0.7
83.01103	1.6
95.04974	0.9
105.07037	1.1
107.08617	0.9
109.10153	0.9
117.10519	0.7
126.02894	5.7
139.03644	5.3
152.63893	0.7
174.52620	0.8
179.10480	0.9
181.08398	1.1
207.09943	4.7
207.11597	0.8
208.62115	0.8
224.13878	3.8
239.12529	0.9
251.12549	6.5
263.16162	1.2
267.01343	0.8
269.13635	1.2
296.69034	0.8
307.15115	2.6
309.16733	5.9
337.15979	1.0
340.23581	0.9
344.96063	0.8
347.66248	0.7
363.25116	2.5
379.24619	1.1
381.18173	0.8
391.24542	100.0
392.24734	4.9
407.24036	56.1
408.24487	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68715	7.8
54.82624	7.4
57.07064	9.4
65.19230	8.1
67.05502	12.4
70.66058	7.7
81.07051	10.1
83.99252	9.3
86.09727	14.2
105.07006	10.4
117.24494	8.8
119.08619	9.2
121.06457	9.8
121.10129	21.7
126.02869	13.9
139.03635	32.1
139.09097	9.2
147.11710	18.1
153.01590	76.2
156.03984	17.6
169.04742	10.0
169.10197	9.8
177.56787	8.0
207.10091	11.2
210.59471	8.4
224.14008	8.9
251.12566	43.7
269.13681	78.8
283.17007	28.7
284.17279	40.3
295.15195	17.6
309.16983	19.2
337.16391	23.6
339.23187	11.4
340.23517	32.0
391.24493	29.5
407.24051	100.0
425.15503	45.8
425.25085	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72082	1.1
66.00859	3.9
69.73521	4.4
77.13638	1.1
77.16851	1.0
79.05510	1.5
81.07087	1.1
83.01125	5.0
89.14471	1.0
95.08656	1.2
98.22708	1.3
98.23249	2.6
107.08550	1.2
109.02692	1.2
126.02908	21.8
139.03685	27.0
153.01602	100.0
154.02306	3.1
157.19710	1.2
158.60889	1.2
165.08997	1.7
167.03180	2.0
181.08403	4.9
181.12041	1.1
195.09901	1.3
202.69829	1.1
207.09924	2.2
223.09473	1.2
223.13106	4.6
224.13823	11.4
239.12538	2.1
255.75734	1.4
269.13629	7.4
274.83212	1.1
281.13654	2.3
299.74994	1.2
309.16980	2.4
337.16095	1.6
407.23944	7.8
425.24561	10.0
426.35812	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	425.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.05514	100.0
67.05502	34.7
68.54852	4.6
69.03415	13.9
69.07073	7.7
69.49525	19.1
71.04999	6.5
72.72341	5.6
79.05495	32.1
81.07050	38.3
83.04974	24.1
83.08625	91.3
91.05490	40.3
93.07040	44.3
95.04968	92.0
95.08613	36.0
97.06533	47.6
105.07027	59.9
107.08605	76.3
109.06528	13.8
109.10174	11.2
111.08048	11.5
113.09656	26.4
115.05550	4.8
117.07023	10.8
119.08591	44.8
121.06504	17.6
121.10105	14.8
123.08037	20.0
125.09644	32.8
128.06212	15.5
129.07007	21.1
130.07776	8.5
131.08572	26.8
133.10092	26.4
135.08041	12.8
139.11176	23.2
141.07112	5.9
142.07764	15.4
143.08554	24.4
144.09296	6.2
145.06525	7.2
145.10115	41.1
147.08046	8.2
147.11639	11.9
153.12741	9.7
155.08582	16.5
155.10649	23.4
157.10156	52.8
159.08064	16.0
159.11684	10.0
161.09604	11.5
168.09427	8.5
169.10123	32.4
171.11687	27.9
173.09666	14.1
175.11188	9.5
179.08557	15.6
181.10117	23.6
181.12207	17.3
183.11703	12.4
185.09654	7.7
185.13205	6.6
187.11113	7.6
193.10158	7.5
194.10934	8.7
195.11676	15.9
195.13672	4.8
197.13289	9.1
199.11195	14.3
207.11682	8.5
208.12672	5.8
209.13293	17.1
211.14828	22.3
213.12766	7.9
221.13222	19.5
223.14787	7.7
233.15428	9.9
237.16335	9.8
239.14342	22.4
245.15422	11.1
247.14789	8.5
253.15955	5.6
273.18521	6.0
275.16299	9.0
297.18280	9.3
298.19394	41.7
298.83789	5.3
299.19928	8.4
301.18015	9.6
323.19824	5.3
396.20844	6.1
407.25781	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04562	0.3
61.09141	0.2
66.40780	0.2
70.56932	0.4
74.39107	0.2
94.04047	0.9
96.05691	0.3
97.02847	0.5
109.02885	0.4
115.27370	0.3
123.06686	0.6
127.03883	0.5
130.95760	0.3
135.05467	0.3
143.03320	0.4
150.07756	100.0
151.08165	1.7
153.01842	4.1
153.02979	0.3
171.02876	1.1
247.13136	0.9
262.13022	0.2
282.12054	0.5
295.11511	24.6
296.11917	0.8
299.10352	0.2
323.79514	0.3
427.03497	2.1
427.19495	26.8
428.19891	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	427.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54341	0.5
69.49358	1.5
69.49744	1.2
81.07102	0.9
85.02917	1.6
95.05032	0.7
95.08661	1.3
97.06600	0.6
98.21597	0.7
123.08139	1.4
126.03227	1.0
135.08151	0.8
145.10085	0.7
153.01915	1.7
157.63490	0.6
160.67104	0.8
165.05734	0.7
167.08244	0.7
201.03735	1.4
203.05414	1.0
231.03365	0.7
246.01691	0.8
247.13103	3.4
265.10736	1.1
265.14258	3.6
273.00464	1.9
300.99966	2.6
302.00601	4.9
303.01453	1.2
365.23117	1.5
397.16257	10.9
409.18384	2.2
427.03598	5.8
427.18903	100.0
428.19461	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	427.194
Annotation	Lactuside A
Peak:m/z	Relative Intensity
51.41850	0.3
62.99670	0.3
69.03413	0.4
69.46536	1.0
69.46944	0.7
85.02901	0.8
89.44481	0.3
109.10124	0.4
116.13013	0.3
143.03151	0.4
146.06018	0.4
151.38391	0.3
156.02164	0.3
174.05507	0.6
203.05254	3.7
203.14107	1.3
247.13057	1.2
265.14081	18.7
266.14468	0.7
427.19345	100.0
428.19656	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	427.1944
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
60.13528	0.3
61.92633	0.3
71.04989	0.7
71.15562	0.7
79.01849	0.6
81.03410	0.5
85.02908	1.4
94.04049	1.3
97.02892	1.4
98.22970	0.4
109.02911	0.9
123.04416	0.8
123.06701	0.5
125.02400	0.5
127.03906	0.7
150.07762	78.7
151.08060	1.3
153.01833	9.1
153.03055	0.7
171.02887	2.2
171.04207	0.4
171.88251	0.4
207.09967	0.9
247.13074	3.5
265.14462	0.7
295.11514	16.4
296.11777	0.7
297.06107	0.5
353.02994	0.4
397.18610	0.5
427.03430	6.8
427.19476	100.0
428.03333	0.7
428.14420	0.7
428.19839	6.4
451.91138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
57.07069	0.9
67.05495	2.7
69.07072	8.0
71.08625	1.3
81.07059	4.4
83.08620	2.9
91.05508	0.7
91.65852	0.6
93.07047	0.6
95.08611	5.1
97.10174	1.6
98.23474	1.9
105.07011	0.7
107.08582	1.2
109.10166	5.1
111.11736	1.3
119.08612	1.6
121.10159	0.7
122.07303	1.0
123.08177	0.6
123.11684	1.0
135.08037	1.6
137.09604	7.6
149.09598	2.3
151.07567	6.1
159.08018	1.0
163.07585	1.4
163.11243	0.7
165.09113	100.0
166.09471	2.8
173.09630	1.0
175.07561	6.1
177.09123	5.0
179.10667	1.8
189.09125	1.1
190.09970	0.7
191.10608	4.3
202.59032	0.5
203.10764	1.4
205.12251	6.6
207.75110	0.5
217.12271	0.9
219.13737	1.4
261.43860	0.5
279.89877	0.6
333.52744	0.7
358.28696	0.6
371.29425	0.8
409.34308	1.0
427.35690	18.5
428.35974	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	428.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
57.03420	0.5
63.26410	0.2
66.96002	0.2
69.03426	2.8
70.61553	0.4
71.01391	0.2
71.04986	0.6
81.03413	3.4
83.01349	0.3
85.02899	5.3
85.03410	0.3
86.03102	0.2
95.04945	0.4
97.02886	8.9
99.04452	1.3
101.02326	0.2
101.03896	0.3
107.04941	0.5
109.02868	4.2
111.04455	0.3
115.88082	0.2
123.04457	0.3
127.03907	5.4
128.04953	12.6
129.84688	0.2
135.04424	0.6
146.05998	100.0
147.04478	0.3
147.06340	3.7
156.04483	0.4
169.07614	0.4
174.05498	75.2
175.05865	2.4
187.27228	0.2
216.06613	0.2
218.94466	0.2
231.13847	0.3
264.06775	0.3
270.07642	1.1
282.07431	0.6
300.08646	36.6
301.09058	2.1
318.09671	2.9
329.95074	0.2
337.16354	0.2
343.06369	0.2
428.13858	1.1
428.18994	0.5
428.27106	0.3
429.13626	0.3
429.20547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69013	1.5
57.03432	2.9
65.03937	3.8
66.99727	1.6
69.74906	1.7
71.04997	20.5
77.94703	1.5
83.04996	4.3
85.02909	26.3
85.06572	3.4
91.05497	7.5
93.03424	2.4
98.97587	11.2
103.05488	2.8
103.07601	7.4
105.07004	2.9
111.04456	7.0
116.98648	4.1
119.04940	9.2
121.06549	5.7
122.03658	5.4
125.05999	6.2
129.05484	11.5
130.04152	2.6
131.04965	5.4
137.05980	100.0
138.06273	2.2
147.04413	14.3
147.06558	6.8
149.06000	5.8
150.06738	2.1
151.07448	3.3
153.01875	2.1
153.05498	6.0
160.05196	2.9
161.05989	30.8
162.06776	10.8
163.07530	2.5
175.07584	7.5
177.05415	2.7
177.09073	2.7
179.07082	8.3
188.04817	1.5
191.07094	3.8
203.07045	19.0
207.32381	1.7
210.46756	1.8
221.08061	24.4
233.08182	2.7
253.08865	2.2
265.08530	2.9
266.13843	3.3
277.08789	2.1
285.11270	3.6
309.11307	4.1
314.02655	2.5
326.02701	5.4
327.12259	2.9
343.11896	5.2
345.13431	10.2
357.13229	2.8
375.14716	1.9
428.03418	7.7
428.19696	22.5
429.21298	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	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.87941	0.7
55.05495	1.6
57.03439	9.3
59.05000	0.7
61.02922	1.8
69.03436	3.0
71.04995	72.4
72.05324	0.9
73.02911	2.4
75.04482	3.7
78.70298	0.7
81.03424	2.6
83.04981	8.7
85.02907	100.0
86.03236	0.8
87.04488	1.7
96.91399	0.7
97.02892	12.8
99.04472	2.0
103.04005	1.0
109.02880	7.1
110.06073	0.9
111.04434	7.6
115.07578	0.8
115.23597	0.7
118.63735	0.6
127.03908	9.5
129.05481	48.0
130.05809	0.9
139.03897	5.9
144.06558	1.2
145.04959	5.3
147.06525	25.4
157.04970	6.9
162.07643	1.6
163.06018	1.1
164.09209	7.5
180.08679	2.0
211.06049	1.1
255.08766	2.1
260.43158	0.7
265.07101	1.5
267.11975	1.6
273.09659	0.8
283.08118	4.3
308.13699	1.0
309.11804	1.2
326.14545	2.0
382.02432	0.7
394.68616	0.7
410.18860	0.8
411.19788	2.0
428.03543	4.2
428.15103	2.9
428.20132	12.8
429.16336	15.4
429.21634	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	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01875	0.7
55.05509	1.8
57.03440	9.3
59.04974	1.0
61.02923	1.7
69.03418	2.1
70.63992	0.8
71.01345	0.9
71.04993	67.9
73.02916	3.2
75.04480	5.4
81.03410	1.1
83.04977	9.9
85.02904	100.0
87.04466	1.8
91.03965	0.8
97.02886	5.0
97.41335	0.6
99.04493	1.4
100.44729	0.8
102.37515	0.6
103.03959	1.4
109.02879	1.3
110.06065	0.7
111.04442	4.3
127.03924	5.6
129.05479	41.4
144.82973	0.6
145.04939	7.1
146.08157	1.5
147.06523	21.3
163.06026	3.1
164.09213	4.7
184.41644	0.6
215.07227	0.7
255.08655	1.6
257.79034	0.7
273.09863	1.5
309.11819	1.3
323.99265	0.8
371.91214	0.8
428.19669	1.1
429.19028	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	429.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73711	1.2
63.84866	1.1
69.78695	1.5
69.79053	4.1
84.66758	1.1
86.90934	1.3
92.73391	1.0
93.32787	1.0
98.23368	1.2
98.97626	1.1
110.71063	1.2
110.76186	1.1
136.94025	100.0
166.95079	1.9
219.01984	1.5
242.37125	1.2
313.07413	1.1
331.07870	25.1
419.22018	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	429.1157
Annotation	Venkatasin
Peak:m/z	Relative Intensity
60.30626	0.4
64.93689	0.4
67.40602	0.4
69.03426	0.6
69.07074	0.5
70.28493	0.7
70.28818	0.4
78.88922	0.4
79.05478	0.5
91.05483	2.9
97.02884	0.6
105.07014	0.6
107.08668	0.4
146.05957	2.2
147.06329	1.3
147.11705	0.5
174.05522	0.9
175.05885	0.6
176.00789	1.0
185.04205	4.2
193.12245	0.4
223.54530	0.4
249.14871	0.5
266.05472	2.3
267.06299	3.5
268.52396	0.4
301.09073	0.7
429.11551	100.0
430.11893	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	429.1733
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
53.79324	0.4
69.51344	0.9
69.51749	1.3
120.86308	0.5
136.07578	1.5
185.04227	1.2
197.17546	0.4
207.10068	0.5
225.09680	0.4
243.10854	0.5
249.10951	0.6
261.14545	0.5
267.12030	100.0
268.12384	3.1
287.01025	0.5
315.48645	0.5
404.93341	0.5
411.15903	0.6
429.17169	90.6
430.17633	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	429.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99661	0.5
65.89514	0.6
87.26153	0.6
89.57775	0.7
98.23623	1.5
105.46386	0.5
148.01126	0.6
159.29567	0.6
188.40070	0.6
259.07944	4.7
266.20197	0.6
267.12057	15.0
309.13138	1.3
367.17252	2.5
411.20157	1.4
429.16666	100.0
430.17044	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	429.2098
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
58.53943	0.3
69.50244	1.9
73.43234	0.3
88.93562	0.4
96.93172	0.4
150.07715	0.4
159.58795	0.4
203.05324	1.8
225.00758	0.4
249.14706	0.6
262.65710	0.5
267.05112	0.5
371.16843	1.3
429.21045	100.0
430.21329	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	429.2102
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.55167	0.3
52.88017	0.3
69.55298	1.0
69.55645	0.5
71.04993	0.5
82.87970	0.2
85.02933	0.4
96.92832	0.3
98.22984	0.9
109.02912	0.3
113.06081	0.3
123.04428	0.4
127.03932	0.4
141.05492	0.5
159.06471	0.5
249.14642	0.5
263.81247	0.2
267.08600	0.3
267.15833	0.8
285.09930	0.3
286.37250	0.3
336.86313	0.3
393.18726	1.4
397.99295	0.3
411.19977	7.0
412.20425	0.4
429.21057	100.0
430.21368	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	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
66.43555	0.3
68.09238	0.3
69.22272	0.7
69.22674	0.7
81.07063	0.6
84.08134	0.7
93.07059	0.3
95.08619	0.3
105.07051	0.5
123.04340	0.2
124.16857	0.2
133.10069	0.3
145.10091	0.3
147.11285	0.5
162.77567	0.2
175.87679	0.2
204.74014	0.2
267.15643	0.9
290.54700	0.3
429.20898	100.0
430.21222	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03941	0.6
55.05513	3.5
57.07076	19.8
60.19902	0.6
67.05508	5.5
69.03421	0.6
69.07061	4.6
69.24565	0.9
69.24947	1.9
71.08274	0.8
71.08630	11.4
73.86810	0.5
74.86298	0.5
79.05476	2.9
81.06615	0.8
81.07050	8.3
82.15321	0.5
83.04973	1.5
83.08627	3.3
85.10171	5.7
91.05482	2.9
93.07032	3.6
95.08599	7.9
97.10149	1.5
105.04517	0.5
105.07020	3.7
107.08589	6.9
109.06509	0.6
109.10147	8.6
110.44513	0.5
111.04411	1.6
111.11707	1.3
117.06990	1.1
119.08585	4.7
121.06517	2.8
121.10152	4.7
122.07271	1.4
123.08072	0.9
123.11674	1.5
125.06023	0.8
129.07016	0.7
131.08557	4.0
133.10089	1.7
135.08061	6.2
135.11662	1.7
135.90323	0.5
136.08795	2.0
137.05957	1.0
137.09607	13.6
137.13202	0.8
139.07521	2.5
143.08551	0.6
145.10123	3.4
147.11662	1.1
149.08479	1.1
149.09615	17.6
149.13196	0.6
151.07516	1.8
157.10222	0.8
158.10866	0.6
159.08035	1.4
159.11693	3.7
160.08885	0.7
161.06007	0.5
161.09604	1.2
161.13162	0.6
162.06769	1.3
163.11183	19.3
164.08311	2.6
165.09108	100.0
166.09428	2.2
172.08810	0.6
173.09543	2.8
173.13219	2.2
174.10364	0.8
175.07478	0.9
175.11194	6.1
176.08310	2.3
177.07553	0.6
177.09097	11.8
177.12709	2.4
179.10680	1.2
186.10374	1.4
187.11165	3.3
187.14751	0.9
189.09091	1.3
189.12709	1.8
190.09898	1.6
191.10663	11.5
191.12376	0.6
200.11914	0.6
200.28688	0.6
201.12758	3.3
203.10670	2.5
203.14375	1.1
204.11432	1.3
205.12248	9.9
215.14275	0.9
216.37959	0.5
219.13820	4.6
233.15324	1.9
247.17009	1.0
275.19897	1.0
289.21506	1.3
303.23172	1.0
345.27689	0.8
401.34122	1.8
411.36301	1.2
429.37265	34.2
430.37830	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	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16303	0.8
52.19647	0.8
53.03948	2.3
65.03959	0.9
67.05509	19.1
69.03420	5.4
69.07082	1.9
69.63918	1.5
69.64280	1.7
70.71795	0.7
71.04993	23.4
73.02920	1.1
79.05487	11.7
81.03419	10.8
84.82997	0.7
85.02914	5.2
95.04970	30.3
96.21270	0.8
97.02897	14.1
98.08315	0.8
99.04451	5.6
105.03352	1.1
109.02880	30.8
110.97543	1.1
113.06007	18.1
113.06742	1.4
123.04429	52.7
124.04816	1.0
127.03906	14.8
137.02338	4.8
137.03242	0.9
138.02675	3.0
141.05463	100.0
142.05714	1.8
145.04959	5.0
159.06532	53.3
171.02882	3.2
177.05414	1.2
213.07578	27.4
231.08644	8.4
255.08842	1.0
267.08597	7.0
285.09677	18.7
285.20584	1.0
303.10657	4.8
367.40588	0.9
388.13489	1.2
429.21112	1.3
430.16223	1.6
430.21872	9.0
431.17889	2.3
431.23462	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	430.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01883	2.0
65.03938	1.5
67.05497	7.6
69.03436	6.9
69.07061	1.5
69.77919	3.3
70.06609	0.9
71.04995	28.2
72.49388	0.8
73.02937	1.4
73.08119	1.1
79.05492	1.2
81.03417	16.2
81.03840	1.5
81.21255	0.9
85.02904	12.5
85.03359	1.5
85.06559	1.9
86.09745	1.6
95.04969	24.5
97.02904	14.7
97.06544	1.1
98.23352	1.2
99.04456	26.6
108.04478	1.6
109.02884	45.7
111.04480	1.0
113.05193	1.8
113.06005	34.3
121.02868	100.0
121.10136	6.6
123.04426	20.5
123.05276	1.4
123.11733	1.1
127.03920	30.3
131.07054	1.8
131.53264	0.9
139.03915	16.4
141.05461	43.7
142.05858	1.2
145.04970	17.8
149.08231	1.0
159.06540	35.4
183.06377	0.9
201.07680	1.3
205.08794	1.3
211.39371	0.9
213.07622	3.1
231.08623	4.5
233.15501	1.7
249.07819	1.4
251.16496	2.0
265.07196	4.1
267.08633	16.5
267.11343	1.6
283.08154	13.8
285.09689	46.1
286.10117	1.1
303.10922	1.3
400.20447	2.7
423.78552	1.1
429.21057	3.9
430.21500	39.0
431.18494	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	430.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23716	0.9
51.09973	0.9
55.01867	0.9
55.05503	1.3
57.03411	1.1
57.07077	1.6
61.02926	2.2
63.34255	0.9
67.05491	3.5
69.03430	4.4
69.07084	5.2
69.49531	1.1
69.49866	3.8
71.05004	6.9
77.87974	0.9
79.05493	2.6
81.03407	1.6
81.07060	5.1
81.07455	0.9
83.05008	1.4
83.08594	1.3
85.02920	13.6
85.06545	3.7
91.05470	6.1
93.07058	6.8
95.04960	2.4
95.08624	4.7
97.02904	2.8
97.06549	1.0
98.67821	0.8
99.04490	1.0
105.07037	10.9
107.08594	15.9
109.02877	1.4
109.06573	2.1
109.10166	1.5
111.04437	1.4
111.08073	1.3
113.06017	3.4
117.07039	5.9
117.81232	0.9
119.08583	13.1
121.06518	2.6
121.10162	12.6
123.08076	1.6
123.11698	2.5
127.03889	2.5
129.07043	1.2
131.08577	33.7
132.08878	1.1
133.10136	11.2
135.08063	5.1
137.09668	1.0
139.03874	1.6
139.07553	2.1
143.08551	2.6
144.09338	2.0
145.04997	1.7
145.10133	15.6
147.11687	5.5
149.09627	11.7
151.07518	3.1
153.09128	3.6
155.39355	0.9
156.09358	3.1
157.10149	1.3
158.10925	4.7
159.08052	2.4
159.11726	5.0
163.07556	2.2
163.14822	1.1
165.09038	1.0
167.10709	5.1
171.11690	13.0
172.12268	1.0
173.13272	82.9
174.13695	3.3
177.09119	20.9
187.14822	15.3
189.12866	1.0
191.10713	4.1
191.14337	4.2
193.12296	1.6
195.10185	8.5
197.13251	2.7
205.15891	6.3
215.14374	5.0
233.15379	100.0
234.15695	3.6
251.16423	10.8
258.11295	1.6
294.31424	0.9
430.24991	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	431.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35296	0.4
67.47105	0.4
81.98069	0.5
94.93019	1.1
110.43685	0.5
120.02547	0.5
136.94012	1.1
138.93880	1.6
240.99605	0.5
250.97220	1.0
256.96091	0.8
268.98239	4.9
298.97113	0.5
431.01419	100.0
432.01746	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	431.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50998	0.7
56.96286	1.4
56.96570	28.7
58.06343	0.7
64.68150	0.8
67.77499	0.9
70.89050	1.1
84.96040	11.7
85.02911	1.1
88.23534	0.7
89.06028	1.0
93.61439	0.8
97.02892	1.2
98.97589	70.6
102.96996	1.5
110.97578	25.8
112.99120	4.5
116.98630	27.6
120.08123	4.8
121.08466	1.1
124.99136	1.8
126.97048	1.6
128.98619	23.3
131.00192	5.2
134.99658	7.3
136.06168	4.5
137.06595	1.1
140.98608	4.3
143.00174	13.7
144.98125	3.3
146.99641	11.9
149.01205	1.8
152.98637	1.6
155.00206	1.2
158.99683	9.5
161.01236	16.9
161.02501	1.3
162.99162	1.4
166.08633	1.3
170.99686	5.0
171.07666	1.1
177.00717	7.9
179.02280	3.7
180.98073	0.9
182.99637	4.9
189.00703	4.7
198.99255	1.7
201.00677	12.3
207.01816	1.6
208.97537	5.5
219.01779	40.3
220.02071	1.1
226.98636	9.8
237.02821	47.7
238.03253	1.0
244.99709	19.8
255.03880	2.3
263.00766	13.8
268.99677	1.6
271.01007	0.8
274.97626	2.7
287.00876	1.8
292.98801	0.9
299.00824	1.5
304.99567	1.7
311.00647	3.5
313.02405	2.7
323.00677	9.2
323.03815	1.0
329.01807	2.5
331.03333	1.8
341.01724	2.4
353.01791	4.7
359.02634	1.1
371.02844	40.0
372.03290	2.1
378.38242	0.8
389.03928	100.0
390.04312	3.7
407.05002	2.3
412.05518	2.7
413.03754	1.2
431.04767	1.9
431.19949	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	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41465	0.3
53.03944	0.8
65.03937	2.0
67.05502	0.7
69.03432	2.7
69.13769	2.5
70.06592	0.4
71.01344	0.4
71.04998	3.3
71.57425	0.4
76.43760	0.4
81.03419	3.5
82.03739	0.5
85.02901	5.3
85.06593	0.5
86.09722	1.3
89.02383	0.5
95.04970	8.7
97.02888	2.5
98.22660	0.6
99.04466	1.7
109.02870	4.5
110.03244	0.8
111.04447	1.3
113.06014	3.1
114.06339	0.9
121.02866	100.0
121.10136	0.4
122.03202	2.1
123.04450	0.9
127.03889	3.3
128.04237	0.8
130.08736	0.4
131.07025	1.2
139.03903	17.0
139.04980	0.8
141.05440	2.3
142.05807	1.4
145.04962	1.4
149.08130	1.0
153.01868	0.5
159.06480	1.8
231.08569	0.5
247.06020	0.8
265.07092	3.7
267.08499	0.5
268.08954	0.5
269.10150	0.5
269.13504	1.2
283.08109	14.4
285.09686	1.0
286.10068	2.1
357.15054	0.5
369.18622	1.4
431.18600	18.8
432.18982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51201	2.2
52.68094	2.3
53.03967	3.0
55.01892	4.5
55.05509	5.5
67.05507	9.4
69.03426	5.5
69.07072	7.7
70.36510	3.6
71.04986	3.7
77.53962	2.5
79.05502	17.6
81.03416	6.7
81.07061	18.1
83.04987	19.6
85.02911	2.9
85.06546	8.0
87.90771	2.2
91.05479	15.2
93.07055	25.7
95.04992	14.8
95.05540	2.4
95.08605	15.9
97.02911	5.3
97.06535	17.6
98.22960	5.8
99.04468	10.9
104.63647	2.6
105.07036	36.3
107.04950	15.2
107.08591	23.0
109.06538	13.2
109.10172	3.6
110.06873	2.2
111.04476	4.6
113.05984	3.3
117.07025	6.1
119.04971	6.7
119.08574	10.5
121.06524	18.9
121.10170	2.9
123.04457	3.6
123.08086	4.3
125.06017	17.8
128.06274	2.7
130.07814	4.1
131.08569	10.8
133.06490	7.0
133.10167	4.7
135.08078	9.5
135.11720	7.7
137.06020	8.2
137.77797	2.6
139.03929	2.9
139.07547	7.3
143.07016	11.9
143.08630	3.9
144.09393	2.7
145.06523	6.4
145.10153	42.2
147.08052	4.5
147.11681	6.8
151.07536	7.2
154.07809	3.5
157.08658	4.1
158.07271	5.1
159.08076	7.0
159.11688	22.9
161.09657	3.1
163.11188	49.1
169.10106	8.3
171.08063	3.5
171.11563	3.6
172.08870	3.4
173.09631	35.7
181.12263	10.6
187.11179	26.4
189.12766	3.7
191.10661	15.9
197.09671	10.0
205.12206	17.1
209.11745	4.2
212.58530	2.6
215.10664	49.0
221.15366	4.6
227.12679	15.5
233.11743	65.7
233.15309	4.3
234.12100	3.3
251.12811	44.4
251.16383	6.4
269.13992	5.0
269.17389	11.5
279.12424	3.1
311.80130	2.4
356.42471	2.3
359.15012	3.8
431.20151	100.0
432.20840	4.3
448.83862	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	431.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25190	5.7
55.05499	8.3
60.05675	6.9
65.74836	5.6
67.05495	21.6
69.03419	8.4
69.07064	17.8
71.04993	7.8
71.44869	7.5
79.05476	27.3
81.03368	6.6
81.07057	36.3
83.04984	51.8
85.06538	10.0
90.93558	5.3
91.05495	23.5
93.07059	39.9
95.04964	26.0
95.08592	15.0
97.06528	41.8
99.04451	16.3
99.11655	5.9
105.07030	66.5
107.04975	12.6
107.08603	33.6
109.06514	46.0
117.07013	15.5
119.04958	24.6
119.08592	15.5
121.06518	35.7
121.10151	9.3
125.05988	53.3
127.07554	11.6
129.06992	6.9
130.07802	7.8
131.08565	19.5
133.06445	8.6
133.10124	11.6
137.06010	11.5
139.07552	16.7
143.07042	43.2
143.08563	9.3
144.09413	7.0
145.06464	12.9
145.10129	100.0
147.11687	17.6
151.07570	8.2
157.08601	30.1
159.08031	11.2
159.11699	42.5
161.13269	8.4
163.11159	77.9
169.10147	14.3
171.39902	6.7
173.09619	57.8
177.12737	12.7
187.11171	75.3
189.12692	10.3
191.10611	17.0
197.09575	14.5
205.12251	80.5
215.10675	97.5
223.13316	18.8
233.11697	77.8
251.12769	47.0
269.13895	18.8
301.02255	7.1
323.12244	6.2
431.19016	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05513	3.9
57.03440	1.2
57.07084	1.4
57.44357	0.7
61.02913	1.9
62.60133	0.8
67.05515	3.8
69.03431	4.8
69.07063	7.6
69.43716	3.3
71.04984	2.9
71.05355	0.7
79.05485	2.4
81.03392	1.8
81.07069	6.8
83.04987	13.4
83.08615	1.9
85.02903	11.3
85.06552	1.9
91.03990	1.0
91.05463	6.0
93.07049	8.1
95.04964	3.2
95.08604	12.5
97.02884	3.5
97.06523	2.5
98.23054	3.1
100.77839	0.7
105.07030	14.6
107.08588	7.9
109.02842	1.2
109.06526	2.2
109.10168	15.0
111.08067	1.3
113.06005	15.0
115.07575	1.6
117.07035	2.6
119.04917	1.4
119.08590	37.5
121.06516	0.8
121.10155	8.8
123.08083	2.1
123.11694	2.6
125.09708	0.9
127.03919	1.9
129.07028	1.5
131.08586	4.5
133.06563	1.2
133.10136	35.6
135.08055	1.8
135.11659	4.4
137.09627	6.3
143.08545	2.8
145.04947	2.2
145.10150	7.7
147.07990	0.8
147.11691	15.7
149.09641	6.2
149.13234	1.7
151.11220	0.9
151.14772	1.8
153.01814	2.6
153.09135	1.5
156.09438	1.0
157.10135	3.5
159.11729	5.7
161.09598	4.9
161.13242	1.1
167.10706	3.7
171.11668	2.3
173.13188	4.4
175.14827	100.0
176.15189	4.2
179.10698	4.9
187.14815	5.2
189.16388	2.8
191.14435	1.0
193.15892	66.0
194.16194	2.2
199.14824	5.9
205.15866	1.4
217.15887	11.9
232.27858	0.8
235.16925	19.5
236.17238	0.8
253.17944	3.6
271.06021	57.6
288.34464	0.9
433.15018	1.4
433.20493	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01863	2.5
55.05509	19.2
57.03429	3.5
61.02928	3.3
69.03439	13.6
69.07069	4.4
71.04993	2.9
79.05490	3.9
81.03403	3.0
81.07063	12.7
83.04957	5.8
85.02905	29.8
85.06515	4.6
87.04458	2.0
89.60826	1.5
91.05474	4.3
93.07036	8.5
95.04954	7.2
95.08598	5.9
97.02881	11.9
97.06528	3.9
99.04479	2.2
105.07011	10.2
107.08608	10.4
109.02852	3.5
109.06526	3.5
109.10131	3.0
111.08125	2.1
115.03942	2.0
119.08570	11.6
121.10170	3.2
123.08084	5.0
125.05972	7.5
127.03898	7.2
133.10120	17.9
135.08052	9.4
135.11693	4.5
137.09641	3.5
140.82858	1.7
143.08568	4.0
145.04941	5.2
147.08025	5.3
147.11682	3.0
149.09612	16.3
151.11160	2.2
157.10153	4.6
159.11667	11.1
161.09625	17.1
162.10437	13.0
163.11148	7.6
171.11678	1.9
175.14796	5.5
179.10681	25.2
193.15915	2.2
199.14815	5.3
217.15869	100.0
218.16177	3.9
234.12071	2.3
235.16911	32.1
244.21381	1.7
253.18004	2.9
259.58096	1.6
291.05191	1.8
397.22183	77.1
398.22394	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	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51821	0.8
55.05512	3.7
57.03445	2.2
57.07069	1.4
60.21609	0.8
61.02929	1.5
61.37354	0.8
63.68031	0.9
67.05512	3.3
69.03426	4.3
69.07076	7.1
71.04996	2.4
71.43978	1.0
73.02924	3.5
76.00375	0.9
79.05507	2.2
81.03436	1.9
81.07064	5.6
82.58611	1.2
83.04979	8.3
83.08623	2.0
85.02905	12.1
86.09703	2.3
91.05474	4.8
93.07047	3.9
94.21889	0.9
95.05005	3.1
95.08613	9.8
97.02885	5.8
99.04455	1.1
105.07031	11.7
107.08598	5.3
109.06509	1.9
109.10165	11.7
111.08128	1.1
113.06020	6.6
115.03921	2.1
115.07554	2.4
117.07034	2.0
119.08578	34.0
121.02879	5.3
121.06526	3.0
121.10148	5.4
122.03233	3.1
123.04395	0.9
123.08076	1.5
123.11661	1.1
127.03937	3.7
129.07033	0.9
131.08571	5.1
133.05005	1.2
133.10135	29.5
135.07997	1.2
135.11728	3.1
137.09605	4.9
143.08577	2.2
145.04953	3.0
145.10115	8.9
147.08034	3.2
147.11679	11.3
149.09628	2.4
149.13306	1.9
157.10103	2.6
159.11784	4.9
159.12929	0.9
161.09657	2.6
167.10765	1.0
171.11707	1.2
173.13310	6.6
175.14825	100.0
176.15187	2.9
179.09305	0.9
179.10629	4.7
184.12437	1.0
187.14813	13.3
189.16414	2.2
191.14313	1.1
193.15883	45.6
194.16261	1.1
199.14833	4.2
205.15869	1.3
217.15865	12.4
235.16937	21.8
253.18062	1.8
271.05975	1.6
285.08575	1.0
356.93927	1.1
432.18149	4.5
433.24161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.07084	2.6
61.02925	2.3
67.05511	3.7
69.03445	4.6
69.07071	5.4
69.22430	5.5
71.05007	4.0
73.02926	1.2
79.05502	1.9
81.03437	1.5
81.07063	6.1
83.04994	15.1
83.08635	2.4
85.02907	13.0
85.06578	1.1
89.05995	0.9
91.03969	1.2
91.05508	3.8
92.34741	1.0
93.07058	7.9
93.46577	0.8
95.05009	2.3
95.08619	12.3
95.77021	1.0
97.02923	3.1
97.06564	2.4
98.22849	3.9
101.97198	0.9
105.07026	11.9
107.08630	8.7
109.10176	15.4
111.08112	1.8
113.06019	10.4
115.07560	1.6
117.07056	2.2
119.08592	36.7
119.09422	2.1
120.75865	1.0
121.06516	1.7
121.10159	8.6
123.08103	3.3
123.11732	2.9
127.03984	1.0
129.07024	1.1
131.08598	5.4
133.10147	35.4
133.11163	1.8
135.08156	1.1
135.11720	4.8
136.34055	1.0
136.35323	0.9
137.09648	6.3
142.07784	0.9
143.08591	3.6
145.05022	2.8
145.10086	6.0
147.11710	17.4
148.08841	1.2
149.09641	3.0
149.13284	0.9
151.11116	1.3
151.14833	1.4
157.10164	3.8
159.11710	6.9
161.09662	3.1
161.13266	1.2
163.06082	1.3
167.10695	4.5
171.11665	1.9
173.13289	5.7
175.14839	100.0
176.15234	2.2
179.10616	5.2
184.12630	1.2
187.14842	5.8
189.16443	2.2
193.15903	59.5
194.16396	1.6
199.14850	6.8
205.15942	1.3
209.43677	0.9
217.15894	14.2
235.13429	1.1
235.16946	20.1
253.17986	3.3
287.05551	3.4
432.18900	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	432.9652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66226	0.8
56.22638	0.7
56.96570	9.8
69.79105	1.5
69.79434	0.8
72.81348	0.8
98.22946	1.3
98.23491	0.9
98.97591	93.1
116.98629	40.3
117.19925	0.9
130.93393	0.8
134.99652	9.7
140.00191	0.9
172.94376	4.7
176.54820	0.7
190.95464	3.6
192.54344	0.8
192.87997	2.1
210.88998	2.8
214.95436	3.8
228.90059	3.4
232.96498	5.0
234.89000	1.6
250.97566	2.4
252.90117	3.5
256.96445	17.5
258.99854	3.0
270.91098	9.6
274.97528	100.0
275.97702	1.7
277.00928	3.6
284.85767	1.8
288.92163	10.5
292.98581	45.1
293.98965	1.0
298.97998	0.9
302.86838	2.2
306.93231	1.7
320.87924	0.9
326.86652	1.2
344.87924	2.4
362.88968	1.6
386.89203	1.0
392.87784	1.9
408.85416	1.5
410.88998	6.5
414.95392	16.5
426.86990	4.5
428.90115	14.1
432.96530	17.9
444.88101	3.7
446.91263	1.8
450.87018	1.7
450.97159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03950	0.2
57.03442	3.8
67.65117	0.2
68.99817	0.5
69.98425	0.5
69.98790	0.4
71.01341	0.3
71.05000	25.8
73.02924	0.3
75.04472	0.6
83.05005	0.5
85.02915	25.1
86.03249	0.2
87.04470	0.6
98.23071	0.5
105.03394	0.4
107.04953	0.3
109.02874	0.3
111.00803	0.8
111.04421	0.3
121.02876	2.2
126.25406	0.2
129.05490	5.9
129.06975	0.3
133.02841	0.3
137.02350	1.0
145.06461	0.4
147.04398	0.5
147.06517	0.8
152.51448	0.2
153.01823	3.4
165.01868	1.8
183.02882	0.7
185.05991	0.4
213.05482	1.2
231.06480	0.8
241.04941	0.8
246.31693	0.3
258.05255	0.9
259.06067	0.7
287.05521	100.0
288.05853	4.2
299.05328	0.2
329.06528	0.4
353.06250	0.3
388.58792	0.3
397.08966	0.4
412.55212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1475
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
65.34642	0.5
79.12107	0.4
82.61159	0.5
83.97820	0.4
92.09894	0.5
98.03267	0.5
98.23129	0.6
99.96023	0.4
139.52876	0.5
150.73065	0.5
175.03687	6.8
223.55858	0.4
271.42480	0.4
287.11124	1.2
301.36697	0.5
323.92029	0.6
353.37039	0.4
377.60110	0.5
384.89471	0.5
433.14688	100.0
434.14987	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	433.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75963	0.3
55.05499	0.5
57.07087	0.3
61.83708	0.3
67.05495	0.5
69.03400	0.4
69.07043	0.7
69.70418	1.2
71.04952	0.4
81.07037	0.6
83.04958	0.4
85.02871	0.8
85.06539	0.3
87.24185	0.3
91.05448	0.4
93.07034	1.0
95.04961	0.5
95.08582	0.9
97.02878	0.5
103.21621	0.3
103.60531	0.3
105.06990	0.8
109.06521	0.4
109.10113	0.9
110.10448	0.6
113.05996	0.6
114.06341	0.3
119.04947	0.8
119.08582	1.8
120.08846	0.5
121.10089	0.5
122.72989	0.3
133.10130	1.5
134.10405	0.6
135.11751	0.3
147.11646	0.6
148.11993	0.5
153.01793	1.8
157.10114	0.4
164.07005	0.5
167.72626	0.3
169.78249	0.3
175.14824	3.4
176.15126	3.3
193.15875	2.3
194.16185	2.2
213.42123	0.3
217.15948	0.4
217.19110	0.3
218.16158	0.4
229.54869	0.4
235.16847	0.9
236.17184	0.7
271.06015	39.5
272.06439	1.9
287.14597	1.2
377.70151	0.3
433.20453	100.0
434.20816	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	433.2435
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
52.61707	5.8
55.05504	13.4
57.03414	7.0
64.78837	5.3
65.03934	8.1
67.05508	31.4
69.03416	6.9
69.07069	25.9
69.10526	44.1
71.04986	57.4
79.05473	22.2
81.03374	13.9
81.06641	6.1
81.07043	41.3
83.04984	11.3
83.08615	9.8
85.02909	45.7
89.06057	8.8
91.05475	17.4
93.07040	44.1
95.04967	40.1
95.08585	31.4
97.02897	8.5
97.06517	12.7
98.21398	5.3
98.22721	16.3
105.07027	36.8
107.04984	6.5
107.08583	87.6
109.06496	9.2
109.10151	55.8
111.08070	42.8
117.77345	5.5
119.08564	32.8
121.02863	82.1
121.10118	23.9
123.11731	9.9
125.09663	40.3
129.05525	8.2
131.08545	18.9
133.10139	26.2
135.11687	49.0
139.03905	11.4
145.06325	6.4
145.10118	26.9
147.11688	81.0
149.09615	11.9
153.12743	40.3
157.10150	12.1
159.11671	17.4
161.09573	8.3
161.13266	6.8
165.12729	12.5
175.14813	7.6
189.16397	36.7
193.15919	8.8
199.14851	8.8
207.17316	9.0
217.15916	53.3
218.16292	8.5
219.57951	6.6
235.16937	100.0
236.17293	8.4
250.02977	5.5
253.17973	89.9
287.05453	89.8
302.97183	5.8
303.00739	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	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.1
55.05513	31.9
57.03438	5.1
59.05425	1.9
61.97208	2.2
67.05507	34.1
69.03414	4.7
69.07072	11.3
69.38583	2.3
71.04977	4.1
79.05495	48.1
81.03422	9.4
81.07065	30.4
83.04995	5.5
83.08624	13.0
83.32732	2.1
85.06563	2.6
89.01605	2.3
91.05487	40.4
93.07052	31.1
93.71590	2.3
94.04174	2.3
95.04969	36.0
95.05526	3.7
95.08601	16.5
97.06541	4.3
97.10167	19.8
103.05448	3.0
105.03375	2.9
105.04505	2.7
105.07027	29.9
107.04951	14.6
107.08601	24.2
109.02885	2.6
109.06509	4.2
109.10171	7.5
111.08067	2.6
115.05420	4.1
117.07018	17.5
119.04958	3.3
119.08601	18.2
121.05751	2.9
121.06502	15.3
121.10149	15.5
123.04408	3.2
123.08086	6.1
125.09622	15.8
128.06265	5.6
129.06999	23.9
131.04915	11.6
131.08589	22.4
133.06491	8.4
133.10132	7.9
135.07127	2.6
135.08054	5.1
135.11667	5.0
137.09639	3.2
137.40538	2.6
141.06993	8.8
142.07771	2.2
143.08566	16.9
145.06491	22.9
145.10117	13.5
147.08051	11.3
147.11674	4.7
149.09621	19.6
155.08530	8.9
157.10135	11.3
159.08073	9.4
159.11694	8.2
161.09616	5.6
161.13220	3.3
163.11282	3.3
167.08589	5.4
169.10143	12.5
171.08025	6.3
171.11690	12.2
173.09612	8.4
175.11200	3.4
177.12781	3.0
179.08499	3.9
181.10152	5.6
183.11705	4.5
185.09563	2.6
185.13269	5.5
187.11205	8.3
189.09198	2.3
189.11217	9.3
189.12669	11.0
190.35567	2.0
193.12199	4.9
195.11699	4.8
197.09651	5.3
197.13281	2.6
199.11218	4.1
201.12810	4.2
205.12303	4.1
211.11197	5.2
215.10675	4.8
223.13312	3.9
225.12781	2.9
227.12640	3.3
229.12262	5.0
257.15405	3.3
267.15869	3.9
273.14935	3.0
295.20575	2.9
305.18744	3.1
313.21637	7.5
323.20062	23.4
341.21103	93.8
342.21613	5.5
344.39261	2.5
359.22171	7.7
377.23242	2.9
397.23438	3.9
415.24744	46.4
416.25043	3.9
433.25867	100.0
434.26208	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	433.9055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	9.0
71.45516	0.8
71.95274	1.0
98.97582	46.3
99.97919	2.2
116.98620	23.8
119.97309	0.8
130.79343	0.8
130.93326	1.4
134.99634	6.7
159.22693	0.8
172.94353	3.0
178.50238	0.9
190.95387	1.8
192.87892	10.7
210.88940	19.1
228.02957	0.9
228.90030	20.2
232.96431	1.1
234.89008	6.0
246.91058	8.5
252.90015	17.8
256.96487	3.6
258.99744	1.9
266.84778	1.9
270.91068	62.0
274.97479	14.5
275.97849	3.2
277.00720	1.5
284.85782	10.2
288.92108	69.0
292.98630	4.5
293.92703	1.3
293.99164	1.3
302.86847	14.2
306.93185	19.1
320.87900	5.8
324.54236	1.0
326.86716	7.0
330.93207	2.2
344.87885	14.4
350.87085	2.6
362.88849	6.6
368.88083	5.6
386.88968	11.8
392.87839	16.4
392.92108	1.2
396.40933	1.2
398.83331	1.9
399.84958	1.0
404.90240	2.8
407.84067	3.9
409.86090	2.0
410.89011	53.6
416.84311	2.7
417.34402	1.0
427.86908	4.6
428.90109	100.0
429.90286	3.7
433.90787	1.9
433.96497	2.0
434.89151	2.0
441.92392	1.1
442.84375	1.4
445.87939	3.8
446.91486	16.3
451.86688	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01877	4.8
57.03443	26.9
61.02940	11.5
65.03953	2.0
67.05530	3.1
69.03432	25.4
69.39803	10.1
71.05001	19.9
73.02922	49.4
74.57461	1.9
79.05496	4.4
81.03436	4.5
81.07052	3.3
83.04992	4.1
83.08623	3.9
85.02911	100.0
87.04470	3.8
91.03984	3.4
91.05500	6.7
95.08626	3.1
97.02906	44.9
97.06512	2.4
99.04482	2.6
103.05488	2.3
105.07027	28.8
106.19691	1.9
107.08612	7.2
109.02903	6.3
111.04543	2.2
115.03943	34.3
115.04697	2.6
119.08602	4.1
121.02876	4.6
123.04266	1.9
123.19777	1.8
125.09650	7.1
127.03924	24.3
129.05484	10.6
131.08463	2.0
132.06612	2.2
133.04976	7.0
133.06499	48.4
133.10201	2.7
134.33763	1.7
135.08070	2.1
145.04977	47.0
145.10124	2.8
147.06520	5.2
147.08093	3.1
150.07637	5.3
153.01820	4.2
161.66478	2.0
163.03923	3.4
163.06018	21.8
165.01811	1.9
167.10706	2.1
179.07019	2.7
181.12202	4.7
195.02899	3.3
201.09183	3.3
205.12381	3.2
219.10245	3.5
219.13698	1.9
223.05927	4.1
223.13330	17.2
237.11150	2.5
237.14915	2.3
241.07220	2.7
245.68198	1.7
255.12297	3.9
259.08191	4.8
261.03983	2.4
278.77271	2.4
285.13309	7.3
295.10239	5.1
339.08478	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	12.6
60.64559	2.0
64.50140	1.9
70.90175	2.9
71.04993	74.2
73.02885	2.1
75.04475	4.0
83.04969	8.5
85.02904	100.0
85.60468	2.0
87.04427	2.8
91.05481	22.0
97.02888	6.5
101.17744	2.1
111.04427	4.9
127.03874	2.6
129.05479	43.6
133.06480	2.3
136.02087	2.1
147.06535	25.9
154.16864	1.9
164.09143	7.4
372.23450	2.4
397.93225	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.0
57.07083	6.1
58.64447	2.9
59.05005	34.9
67.05514	22.0
67.76847	3.3
69.03436	4.6
69.07071	23.4
69.67956	2.7
70.58936	4.6
71.04994	20.9
79.05499	27.0
81.07059	100.0
82.07404	3.0
83.04985	4.0
83.08638	5.9
85.01556	3.0
85.02922	15.6
85.06551	11.5
91.05487	20.0
93.07050	78.6
95.04943	7.3
95.08607	60.2
97.02924	4.8
97.06529	24.0
97.10178	11.3
99.04501	3.7
99.08107	15.8
105.07039	69.8
107.08601	82.7
109.02861	3.6
109.06513	13.7
109.10168	61.7
111.08084	12.3
115.07586	10.7
117.07013	8.2
119.08572	43.3
121.10162	43.5
123.08069	10.4
123.11709	34.8
125.09643	47.2
127.03882	5.0
127.07548	4.8
127.11217	21.0
131.08569	20.8
133.10129	87.8
135.08075	3.2
135.11694	84.0
136.11987	3.6
137.09599	4.9
141.09071	18.9
143.08575	3.1
143.10677	53.4
145.10129	57.2
147.11734	23.1
149.09627	3.6
149.13251	26.5
151.11171	35.8
151.12311	4.2
153.12816	4.2
159.11711	25.7
161.13269	60.7
161.14531	5.7
163.11139	3.2
167.51263	3.1
169.12329	16.3
173.13255	7.6
175.14835	10.3
177.12657	5.0
177.16388	11.5
179.14307	18.5
191.14330	6.3
191.17981	9.1
201.16422	40.6
219.17462	68.1
233.98923	3.2
237.18529	37.0
259.11395	3.1
273.14572	6.1
355.71027	3.6
381.22186	3.6
416.28879	6.3
434.29852	12.2
435.20020	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0928
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.02382	0.4
53.91801	0.3
54.55655	0.3
55.01874	0.3
55.05515	0.8
65.03940	3.5
67.05509	0.8
68.41403	0.3
69.03434	4.0
73.02919	0.6
79.01860	3.0
79.05513	0.6
79.27799	0.3
81.03426	1.4
81.07072	0.7
85.02921	1.1
91.05527	0.3
93.07061	0.5
95.04983	0.8
95.08595	0.5
97.02888	1.2
105.07027	0.6
107.01321	0.7
107.04961	0.8
107.08645	0.6
109.02893	0.6
109.10165	0.5
111.03804	0.4
111.04457	2.3
119.08635	0.5
121.02878	100.0
121.03908	3.8
121.10178	0.5
122.03226	2.0
125.02340	1.6
127.03922	2.3
133.10110	0.5
139.03891	0.7
143.03400	4.2
147.04405	0.4
153.01843	60.8
153.02914	3.1
154.02170	1.3
161.08295	0.4
181.04938	0.6
211.40242	0.3
214.60818	0.3
229.04944	0.4
233.04404	0.4
237.03928	0.8
237.18414	0.4
247.06099	1.4
261.20877	0.3
265.07086	1.3
297.06036	0.4
303.05005	5.4
417.08182	1.9
435.09338	1.3
445.67416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.1
60.41297	0.2
61.02926	1.8
65.03923	0.2
68.99797	0.4
69.03410	0.4
69.07060	0.3
70.61522	0.2
70.61861	0.3
71.01343	0.2
73.02916	13.1
80.66349	0.2
85.02907	0.4
90.24493	0.2
93.03394	0.2
95.04951	0.3
95.11603	0.2
97.02892	0.2
109.02888	0.4
109.23473	0.2
111.00788	0.8
115.03925	1.0
121.02864	1.5
121.06429	0.2
127.03911	0.3
133.04955	0.3
137.02325	2.5
143.07030	0.2
153.01825	3.4
155.04942	0.3
163.03925	0.5
165.01834	1.5
166.02652	0.3
183.02908	0.6
187.04047	0.3
195.02840	0.3
201.05476	1.1
213.05385	0.3
229.04958	3.0
247.06056	0.6
257.04449	2.4
272.86060	0.2
274.04724	0.5
285.04025	0.7
303.04977	100.0
304.05304	5.1
403.56729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
54.76354	0.3
55.01872	1.7
57.03436	3.7
61.02915	0.9
65.03937	0.4
68.99795	0.6
69.03427	1.5
69.17327	0.2
69.90670	0.7
71.01346	0.7
73.02924	2.6
81.17117	0.3
85.02911	1.9
87.04422	0.5
88.89342	0.3
95.04956	0.4
97.02885	0.4
98.23530	0.3
101.75324	0.3
111.00816	0.5
115.03923	0.9
119.39339	0.3
121.02865	1.1
133.04959	1.9
137.02339	3.7
149.02394	0.5
149.49448	0.3
153.01808	3.9
161.06007	0.3
163.03957	0.6
165.01846	2.2
173.05963	0.8
183.02872	0.7
183.04373	0.4
187.03938	0.4
201.05443	1.7
211.03870	0.3
213.05496	0.3
219.06511	0.3
229.04948	4.4
247.06061	1.0
247.08633	0.3
257.04486	3.1
272.02515	0.3
274.04630	0.7
285.03909	1.4
303.04977	100.0
304.05353	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	435.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98717	3.2
55.05525	4.6
64.37209	3.3
67.05501	4.7
69.03424	5.4
71.15820	3.5
80.65583	2.9
81.03403	3.5
81.07048	11.0
85.06564	3.7
87.64316	3.3
91.05488	3.8
93.05799	7.6
93.07035	7.7
94.06557	5.6
95.08614	6.9
99.08187	3.5
104.04955	3.5
105.07027	6.1
107.08614	4.1
108.08132	20.0
109.02866	4.4
109.10207	5.6
112.94344	3.0
119.08598	3.2
121.10117	6.0
132.04462	9.3
133.10135	6.1
136.07576	51.1
144.08073	5.8
147.11757	5.2
152.07059	3.7
160.03931	7.4
164.07040	8.6
172.07654	5.1
183.09178	5.1
185.04211	5.1
185.10782	3.8
193.07600	3.5
194.08147	3.6
195.09184	5.5
196.07628	3.5
196.09987	6.4
204.04906	3.8
209.07167	4.4
209.10724	5.9
210.07899	8.9
211.08676	10.1
213.10112	6.0
220.17950	4.0
222.07774	5.4
223.08604	8.1
224.09421	9.1
225.06570	6.4
225.10217	7.9
227.11795	5.0
237.10254	8.2
239.08034	3.3
241.09738	12.5
242.10437	4.4
250.07207	5.9
251.08167	7.7
252.08818	4.5
253.09746	11.3
255.11406	10.6
256.08456	8.4
257.09195	10.0
259.10815	49.9
263.08267	6.3
265.09668	12.4
267.11313	3.9
269.09189	4.2
279.07620	4.6
280.08463	13.8
281.09113	9.8
283.10815	12.7
287.10229	8.8
287.13885	9.2
293.09259	11.6
297.12305	5.2
303.05023	17.0
311.10281	44.2
312.10651	4.7
315.13272	17.2
321.08685	10.3
325.11890	9.0
339.09778	46.9
340.10178	4.5
343.12894	31.6
353.11301	4.9
371.12384	100.0
371.17126	5.1
372.12561	4.9
375.15485	6.8
385.14127	8.5
403.14978	90.4
404.15475	5.1
435.15997	16.8
435.19974	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	435.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31745	3.1
67.05516	3.3
67.72063	3.4
69.03435	3.0
71.44316	3.0
79.05483	4.2
81.07057	9.3
85.02900	3.2
91.05485	5.7
93.05781	5.0
93.07040	6.9
94.06565	3.2
95.08604	3.6
95.67482	3.2
97.06565	4.4
97.10123	3.5
105.07011	4.1
107.08635	5.2
108.08115	19.3
109.10206	3.8
121.06549	3.9
121.10159	5.1
122.05939	3.6
131.08566	4.7
132.04488	7.2
136.07590	44.7
137.13406	3.2
153.01894	3.5
156.08138	4.0
160.04042	5.0
162.05516	5.9
164.07106	8.6
165.98914	2.9
183.09218	6.6
185.04221	9.1
195.09151	5.9
196.09937	3.8
199.08687	4.2
209.10654	8.0
210.07866	8.6
211.08754	7.9
213.10196	6.6
222.07718	3.4
223.08598	6.6
224.09370	7.0
225.06578	5.5
225.10150	6.0
227.08484	4.0
231.11398	4.6
237.10257	12.7
238.07344	3.7
239.08110	6.0
241.09764	14.1
251.08192	5.9
253.09732	5.9
255.11334	12.2
256.08472	4.7
257.09192	4.0
259.10812	44.1
259.13513	4.7
259.14600	5.2
263.08054	5.2
265.09702	10.5
269.09259	7.1
271.10696	3.6
279.07706	7.6
280.08527	12.6
283.10651	16.4
287.10226	9.6
287.13882	10.4
293.09201	9.6
297.08749	3.4
297.12262	3.5
303.04987	15.6
303.15054	3.4
311.10217	42.4
315.13385	16.8
321.08624	8.7
325.11829	11.4
339.09741	47.6
340.10321	4.8
343.12897	29.7
353.11237	3.8
371.12357	100.0
372.12500	5.2
375.15332	5.4
385.14136	8.5
403.15005	76.1
435.15753	15.8
435.19958	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	436.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.8
69.48043	0.9
69.48428	0.7
77.30762	0.3
78.40242	0.3
81.03439	0.5
91.05486	9.7
92.95968	0.3
98.23230	0.8
106.93194	0.3
110.39127	0.3
119.04955	23.6
135.78862	0.3
147.04419	100.0
148.04764	2.2
165.05460	0.3
165.69002	0.4
182.26498	0.3
185.91190	0.3
223.27948	0.3
256.72571	0.3
274.35739	0.3
291.08469	0.4
335.09741	0.3
456.89838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05512	38.8
57.03433	0.9
59.53279	0.9
60.70782	0.7
69.03431	1.3
69.42709	1.8
69.43105	1.4
71.04986	1.1
73.02930	0.8
81.03406	1.0
81.45148	0.8
83.04980	1.3
83.08620	100.0
84.08941	1.8
85.02904	1.6
87.04471	7.2
87.41285	0.8
91.05497	2.4
93.07050	1.9
95.08645	1.0
98.23483	0.9
105.07024	1.0
107.08592	8.4
109.06521	0.9
112.16253	0.7
119.04931	4.7
119.08553	0.9
121.02888	1.3
125.09645	9.4
133.10060	1.0
137.06006	0.7
147.04410	19.6
153.01846	2.1
171.10164	62.9
172.10529	1.6
221.15399	1.1
239.13078	0.9
239.16399	1.5
303.05023	1.7
304.05371	4.8
378.23700	0.8
407.20450	3.4
413.28247	0.8
436.17206	0.8
437.17477	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.6
55.05519	8.8
55.53080	3.3
57.03440	8.0
59.04998	7.8
67.05504	13.2
68.61877	3.3
69.03426	10.4
69.07067	4.3
70.71428	5.7
71.04990	9.6
77.80493	2.9
79.05486	8.0
81.03415	5.5
81.07059	35.2
83.04981	39.4
83.08590	3.1
85.02909	30.7
85.06541	11.3
87.04458	4.2
91.03963	3.8
91.05501	7.0
93.07058	15.4
95.04972	45.5
95.08611	36.4
97.02897	20.6
97.06535	14.4
99.04457	30.5
99.08115	7.2
102.34891	2.9
105.07047	11.7
107.08591	51.4
109.02880	12.0
109.06533	8.8
109.10163	40.7
110.49161	3.0
111.08063	5.6
113.09667	6.4
119.08605	10.1
121.06501	5.0
121.10154	11.5
121.65404	2.5
123.04413	31.3
123.08065	55.5
123.11710	67.5
125.06002	4.8
125.09651	5.6
127.03905	7.0
127.11224	5.2
128.13553	2.7
133.10120	20.9
135.11743	9.1
137.06032	7.5
137.09604	34.2
139.07587	6.2
141.09090	15.3
144.08389	2.6
151.11185	61.4
151.27278	2.8
161.09656	14.8
165.09129	9.4
169.12259	9.8
175.11168	6.4
179.10664	60.9
193.12228	5.9
197.11725	100.0
211.13274	4.2
221.11693	14.4
225.11200	4.9
238.07097	2.9
239.10716	4.1
239.12729	20.1
239.70192	3.4
246.45462	3.0
271.37372	3.1
294.56940	3.0
297.00677	3.0
436.16043	4.2
437.14075	7.4
449.21320	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	436.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.7
57.07076	23.5
59.04995	4.2
60.95004	4.3
62.62941	4.1
64.61576	4.1
64.74287	4.2
67.05505	19.2
69.07080	15.9
69.47592	9.0
69.47980	11.8
71.05003	23.2
79.05492	31.6
81.07057	92.7
81.07503	7.1
83.04975	5.1
83.08637	11.4
85.02910	15.5
85.06550	17.5
88.09929	4.5
91.05498	11.1
93.07050	38.2
95.04974	10.5
95.08596	40.0
97.02833	5.9
99.08122	6.3
105.07043	39.3
107.08593	58.6
109.06511	19.7
109.10162	42.5
111.08067	6.6
119.08579	60.8
121.10197	9.9
123.08085	7.5
123.11790	21.3
125.09608	5.0
127.11204	20.5
133.10139	42.2
135.11694	100.0
137.09645	14.8
141.52908	5.2
143.10693	18.4
147.11690	29.9
149.13257	9.1
153.09129	8.5
153.12714	5.4
161.09657	14.7
161.13264	17.3
165.09132	6.6
203.18011	56.2
207.10246	11.1
207.13632	5.0
221.15410	19.7
221.19014	48.5
225.11235	8.9
239.16461	47.9
257.17535	30.5
379.35574	5.0
437.21780	8.3
455.27151	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	436.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.6
69.07075	10.9
69.20831	31.3
71.04990	16.1
71.81641	5.4
72.79872	4.2
73.82739	4.5
79.05481	16.6
81.07062	75.6
83.08644	6.3
85.06535	4.9
91.05489	13.2
93.07043	30.6
95.08604	28.4
99.08102	5.5
105.07050	51.0
107.08598	42.4
109.02894	5.5
109.09528	5.9
109.10168	34.7
119.08574	100.0
121.10156	10.0
123.08073	6.1
123.11736	13.2
127.11218	30.4
133.10165	25.7
135.11702	63.9
143.10645	5.4
147.04407	5.1
147.11696	30.4
149.13239	8.0
161.13292	15.2
177.16466	5.8
203.17924	60.5
221.15480	7.1
221.19008	47.7
237.32269	4.6
240.82452	4.7
243.97081	4.8
280.29196	4.8
313.12134	4.3
420.27042	4.9
437.21173	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.4
67.05500	13.0
69.03429	7.1
69.07059	15.6
70.56869	5.6
71.05009	11.0
79.05482	19.8
81.03437	18.7
81.07059	69.8
83.08618	9.6
85.02909	28.8
85.06541	7.7
91.05470	8.2
93.07045	31.5
95.04965	10.5
95.08614	38.6
95.18118	5.0
97.02906	16.3
99.04431	6.1
99.08072	6.5
105.03393	100.0
105.04473	5.9
105.07022	31.7
107.08592	44.1
109.02884	12.4
109.10134	42.0
117.07046	6.4
119.08561	38.4
121.10122	17.8
123.04443	13.2
123.08055	6.5
123.11704	18.8
127.03921	9.6
127.11214	16.6
133.10162	30.8
135.11690	57.8
137.09679	6.2
143.10660	17.4
145.05005	6.1
147.11717	16.7
159.11624	6.4
161.13307	10.6
175.14803	6.6
203.17944	54.9
221.15378	6.5
221.18953	52.3
239.16473	10.6
239.20120	14.6
249.07576	41.7
257.21106	6.5
267.08615	15.7
285.32364	5.5
337.35114	6.0
436.12704	8.0
436.20148	41.8
437.21518	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27007	1.1
55.05499	1.4
66.97249	1.4
67.05515	1.5
71.43636	1.2
79.05527	1.6
81.03405	1.5
81.07061	3.0
91.05496	1.4
93.89818	1.2
95.08604	1.8
97.02884	1.3
97.32342	1.4
100.25441	1.3
105.07092	1.9
109.10205	2.1
130.28476	1.4
165.52756	1.6
185.04248	3.5
243.18491	1.2
257.15176	24.1
258.15378	1.7
262.00180	1.3
275.16199	48.4
276.16403	2.6
277.47452	1.4
326.99887	1.4
376.54562	1.6
437.21466	100.0
438.21829	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	438.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01884	1.3
55.93540	0.3
59.40390	0.3
67.05515	1.4
67.29699	0.3
69.03442	0.4
69.07071	0.9
69.10012	0.5
69.10414	1.7
71.05007	0.4
74.00671	3.6
79.05513	0.4
81.03400	0.5
81.07058	0.7
83.08615	0.4
84.04505	1.2
85.02921	0.7
85.04044	0.4
85.06567	0.3
91.05516	0.4
93.07052	2.0
94.06573	0.3
95.04986	0.5
95.07365	0.3
95.08612	7.3
96.04494	0.4
97.02908	0.9
100.02210	1.7
105.07060	0.3
106.33714	0.3
107.08607	1.6
107.99433	0.5
109.02900	2.4
109.06556	0.3
109.10175	0.7
110.06051	2.3
110.09685	4.7
112.03937	0.4
112.07613	0.4
118.99871	0.8
120.08119	1.4
121.06486	1.5
121.10168	0.4
123.08090	0.6
124.07603	0.8
125.05973	0.4
125.09633	2.5
126.09946	0.4
130.04970	1.6
137.09480	0.3
138.09143	43.3
139.09482	0.7
139.11185	0.6
148.07599	0.6
149.05989	0.4
155.06940	0.3
166.08641	100.0
167.08978	2.6
177.03268	1.2
184.09691	8.8
186.13582	0.3
203.04817	1.2
206.06711	0.8
223.13251	0.7
241.14355	1.0
274.10629	0.6
291.08359	4.3
292.08865	0.5
292.11768	2.5
309.09393	0.5
310.12909	2.3
328.14008	0.6
363.10406	0.6
387.91507	0.9
391.94440	1.9
396.95023	0.6
405.92587	0.3
414.96039	1.2
438.14133	0.4
439.15561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65635	0.6
55.05516	1.4
57.03421	0.6
67.05497	0.7
69.03436	4.6
69.07067	0.9
69.34842	1.8
69.35249	1.4
71.04999	0.8
74.32172	0.5
79.05482	0.8
81.07053	2.4
83.04982	1.0
83.08620	11.6
85.02917	2.0
85.06524	0.9
93.07030	2.3
95.04990	0.8
95.08604	5.0
97.02896	12.9
97.06538	1.0
98.23396	0.7
99.04436	1.2
105.07027	1.7
107.08592	16.6
109.06520	1.7
109.10130	1.3
111.04447	0.7
111.08070	1.0
119.08554	2.5
121.10149	4.6
123.08091	4.2
125.06000	1.4
125.09641	13.4
135.10808	0.7
135.11661	4.1
137.09584	2.8
139.07541	0.7
139.11171	1.2
145.10138	1.9
147.08038	3.1
153.12737	2.6
159.11699	2.1
163.11176	6.0
165.07857	0.9
165.09120	9.3
167.03365	4.6
177.12764	1.2
181.12215	19.9
182.12617	0.7
198.09177	0.8
205.12260	5.4
207.82593	0.7
209.57234	0.6
223.13286	100.0
224.13617	2.8
241.14278	3.3
258.11295	0.9
261.95245	0.5
277.03354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.9
55.05499	1.3
67.05492	1.9
68.05815	0.5
69.03422	3.6
69.07072	5.9
69.17301	1.0
69.17717	2.6
71.04990	1.7
74.78111	0.6
79.05492	3.2
81.07058	5.8
82.07771	0.5
83.04979	1.1
83.28044	0.6
85.02909	2.6
85.06546	5.4
91.05479	1.7
93.07040	7.9
95.04964	1.2
95.08600	7.6
97.06522	7.2
99.04466	3.2
105.07003	4.7
107.04926	0.8
107.08590	21.0
109.06510	4.7
109.10149	0.6
111.08080	1.1
113.05992	3.3
117.07021	0.7
119.08585	2.4
121.06511	4.0
121.10148	7.6
123.08081	4.6
127.03900	0.8
127.07513	0.7
131.08511	0.6
132.69008	0.6
133.06543	0.6
135.08067	1.2
135.11699	4.2
137.09651	0.7
139.11156	1.3
141.09183	0.6
143.76776	0.6
145.10109	5.7
147.11653	1.0
149.09636	4.9
151.07549	5.1
153.12737	1.1
157.08591	1.2
163.11182	17.5
167.10672	10.5
169.08595	67.8
170.08951	1.9
173.09624	1.2
177.42621	0.7
180.36055	0.6
181.12215	9.5
182.12555	0.7
185.11728	3.3
191.10678	4.9
199.13332	2.0
209.11720	6.7
223.13293	2.1
227.12767	100.0
228.13135	2.3
241.14343	1.7
245.13838	2.3
259.15344	2.8
414.96219	0.7
438.21655	0.8
439.23300	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	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
57.07075	59.1
59.04997	1.6
69.07076	7.8
71.08631	58.0
73.06533	2.5
83.08605	1.9
85.09698	1.9
85.10182	30.7
87.04442	1.5
89.06029	100.0
97.10162	3.3
98.22707	2.8
99.11716	6.1
99.63985	1.1
102.85401	1.2
103.03918	1.4
103.37331	1.1
105.07020	1.2
107.07064	2.9
107.08569	1.4
111.11713	2.2
113.13277	5.4
114.91254	1.3
117.09089	2.3
120.76624	1.2
125.13299	1.4
127.14825	3.7
130.08641	3.1
132.04828	1.8
133.08600	62.1
151.07680	1.2
151.09625	4.9
177.11224	15.2
183.21155	1.8
195.12231	3.1
221.13882	2.3
239.14890	58.2
240.15154	1.4
248.95024	1.1
271.26328	2.9
304.25464	1.2
315.28922	1.9
363.53748	1.4
421.35254	54.2
422.35440	1.7
438.19650	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	438.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.07076	79.8
69.07080	9.3
71.08632	73.9
73.06583	1.8
83.08606	3.6
85.10181	41.2
85.32358	1.4
86.10545	1.2
87.04462	2.5
89.06032	100.0
90.06385	1.9
91.05480	1.4
95.08604	1.4
97.10154	3.2
99.11736	6.5
107.07059	3.7
111.11703	3.1
113.13273	5.0
117.09105	2.3
125.13203	2.0
127.14828	3.6
128.82889	1.2
130.08629	3.3
133.08606	66.3
141.00455	1.2
147.92577	1.3
151.09676	6.8
156.34045	1.2
177.11218	15.0
193.19133	1.3
195.12289	3.5
221.13840	2.9
239.14885	65.9
271.26242	3.4
315.28909	2.1
421.35229	52.5
422.35553	2.3
438.19208	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	439.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01863	0.8
55.05508	0.8
57.03422	0.6
65.03953	3.1
69.03445	3.2
70.76229	1.2
71.01331	0.7
71.05004	0.5
79.32642	0.5
81.03429	8.0
81.07055	1.4
83.04973	0.9
85.02905	2.8
93.03405	0.6
95.04954	1.1
96.02083	0.5
97.02904	3.1
98.23269	0.8
99.04449	1.2
99.08109	0.6
103.05508	0.6
105.07023	0.8
107.01311	1.5
107.08613	0.6
109.02886	5.3
111.04449	1.3
119.04964	0.7
121.10143	0.7
124.01595	0.5
125.02358	1.0
125.83815	0.5
126.03144	4.2
127.03921	1.7
136.44250	0.5
139.03886	1.4
141.05481	4.1
145.04904	0.6
147.04385	2.4
152.00996	0.6
155.07120	0.5
157.04974	8.7
167.03407	100.0
168.03746	2.1
185.04465	8.6
187.03879	3.1
203.03395	0.6
215.03404	3.0
223.13278	1.1
224.13634	1.1
231.02925	3.2
242.14474	0.8
259.02460	4.1
277.03473	18.4
311.07648	8.1
312.07870	0.9
329.08691	2.7
439.15771	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	439.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02826	1.2
53.03953	1.1
57.03425	1.6
59.46292	1.1
65.03947	2.8
65.45275	1.1
65.96893	1.1
69.03426	2.9
69.50831	2.6
69.51216	3.4
81.03407	7.5
85.02905	3.2
87.89429	1.1
88.01826	1.3
91.05493	3.0
91.06651	1.1
93.03512	1.2
95.04962	1.9
97.02903	2.5
109.02884	4.0
111.04543	1.2
119.04963	4.3
123.04436	1.2
126.03171	2.6
127.03875	1.6
136.60590	1.3
139.03934	1.7
141.05482	3.8
147.04395	21.2
153.96321	1.1
157.04961	7.7
167.03395	95.3
168.03784	3.0
183.06516	1.2
183.60283	1.3
185.04430	8.7
271.50470	1.5
277.03458	2.0
291.08466	1.4
293.09796	2.1
309.78473	1.3
311.07678	8.6
329.08679	3.2
353.75311	1.2
439.15741	100.0
440.16141	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.3
69.50552	0.7
75.96145	0.3
81.03407	1.3
85.02906	0.5
87.38345	0.3
97.02906	0.4
109.02840	0.4
126.03099	0.8
141.05505	0.6
147.04398	1.1
157.04982	0.7
163.36972	0.3
163.76328	0.3
167.03401	13.8
167.09077	0.3
168.03673	0.3
185.04530	0.9
293.09976	2.2
311.07559	1.4
333.47653	0.3
431.00125	0.3
439.15753	100.0
440.16083	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	439.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
57.03413	0.2
63.92372	0.2
65.03934	1.0
69.03420	0.7
70.59644	0.3
71.04986	0.3
81.03411	1.3
83.59266	0.2
85.02888	0.6
87.86150	0.2
91.05476	9.5
92.05800	0.2
97.02893	0.5
98.18731	0.2
109.02874	0.9
110.68207	0.2
119.04935	23.7
120.05263	0.5
127.03967	0.3
147.04398	100.0
148.04739	2.7
150.02068	0.2
165.05478	3.8
243.61009	0.2
291.08575	3.3
309.09689	3.5
439.18903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
55.25053	0.1
65.03937	1.3
69.03429	0.6
69.26469	0.6
71.04995	0.3
81.03416	1.5
81.07033	0.1
85.02896	0.3
85.59314	0.1
88.96191	0.1
91.05478	12.0
92.05824	0.2
92.30685	0.1
95.04976	0.1
97.02905	0.3
98.22648	0.2
99.04443	0.2
104.77715	0.1
108.55134	0.1
109.02865	0.6
119.04938	26.6
120.05247	0.5
127.03904	0.3
130.16441	0.1
147.04402	100.0
148.04733	2.7
165.05481	3.2
247.52235	0.1
291.08643	2.8
309.09668	2.1
361.01886	0.1
439.18811	1.3
439.23093	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	439.2309
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
69.87350	0.8
83.21980	0.3
91.05495	0.3
98.23479	0.3
106.98345	0.3
130.32680	0.3
197.97585	0.3
203.05351	1.0
235.73405	0.3
278.30548	0.4
439.23062	100.0
440.23444	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	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01879	1.3
55.05516	14.0
57.03443	9.4
58.62831	0.9
59.05004	4.7
62.48547	0.9
63.35037	1.0
65.03963	2.1
67.05512	100.0
68.05860	1.0
69.03452	2.5
69.07079	4.8
69.22530	6.0
71.05003	5.2
77.03944	0.8
79.05495	15.0
79.05886	1.3
81.03425	30.5
81.07069	26.8
83.04975	6.4
83.08630	16.5
85.02915	20.9
85.06562	3.7
91.05488	20.0
91.96834	1.0
93.07051	9.7
95.04980	15.6
95.05518	1.2
95.08616	11.1
97.02926	1.5
97.06560	2.4
97.10194	2.4
98.23022	4.5
105.07037	10.7
107.04996	1.9
107.08599	6.1
109.06577	3.0
109.10168	69.2
110.10532	1.4
111.04478	1.4
111.08080	9.0
113.06040	1.7
117.07060	1.6
119.08594	15.0
121.06553	1.2
121.10168	6.3
123.08084	1.6
123.11723	1.3
125.09644	1.1
129.07025	6.1
131.08583	4.9
133.06511	2.0
133.10191	5.0
137.09671	4.3
142.07652	0.9
145.10121	1.3
147.11687	8.4
149.09651	3.4
155.10640	4.7
157.10172	7.2
165.12891	1.1
173.11739	19.1
175.11197	7.8
191.26375	1.1
193.12259	33.3
194.12755	1.5
211.13309	43.1
212.13602	1.2
217.95534	1.1
229.14392	1.4
246.52467	1.0
249.15157	1.1
267.16119	2.1
268.25287	1.0
274.97491	1.1
384.58942	1.1
413.49197	1.2
421.25870	1.9
439.27109	84.9
440.27484	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	440.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	4.5
69.44176	2.4
95.31946	0.6
98.97583	61.0
99.97889	0.6
100.63779	0.7
116.97772	1.3
116.98618	27.4
134.99648	5.5
156.65089	0.5
172.94365	3.0
190.95410	2.0
197.95212	0.6
214.95419	3.3
229.21727	0.5
232.96512	5.8
238.64539	0.6
250.97580	2.1
256.96445	17.9
258.99796	3.1
261.03021	3.6
274.97510	100.0
275.97705	1.3
277.00830	3.0
292.98563	42.1
297.99060	1.0
298.97574	2.9
316.98743	3.4
398.97620	7.6
416.98657	15.4
417.98892	1.6
434.99481	1.9
440.19632	2.4
440.99121	3.5
441.19818	0.6
458.99832	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	440.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.5
67.05495	6.3
67.95702	2.0
69.66792	3.7
69.67181	4.8
79.05492	6.9
81.07062	9.5
83.04990	5.0
91.05486	9.4
93.07050	6.5
95.04998	4.6
95.08607	6.7
97.06534	4.7
98.23431	3.8
99.04435	2.8
105.07020	30.1
105.17442	2.3
107.08603	11.0
109.06526	7.9
109.10152	43.8
119.08582	100.0
119.60020	1.9
120.23042	2.2
121.10170	10.3
123.08069	4.0
127.03928	2.6
133.06573	2.2
133.10126	44.0
135.08044	3.8
137.09622	26.2
143.08536	2.0
147.08070	13.4
151.07539	22.9
155.10664	14.5
161.09618	27.5
163.07561	2.5
163.11234	12.0
165.09117	54.0
169.08598	3.0
178.76265	2.1
179.10663	51.2
183.10173	44.6
183.11690	3.6
189.09096	16.6
195.46500	2.1
197.11728	57.2
207.10136	31.4
225.11198	95.2
226.11589	3.4
243.12270	63.4
244.12778	2.5
245.41574	1.8
260.09244	6.5
261.13315	4.2
293.62021	2.7
441.17258	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05510	11.2
60.91591	2.6
61.79043	2.4
67.05499	8.4
67.62841	2.1
68.59686	2.6
69.03426	3.4
69.51285	9.8
70.06569	3.5
71.05004	3.3
79.05498	9.3
81.07072	11.2
83.04996	7.4
85.02924	7.8
91.05486	9.4
93.07064	6.3
95.04966	8.3
95.08600	13.3
97.02930	2.9
97.06549	4.6
99.04433	2.8
105.07028	33.9
107.08556	12.8
109.06531	5.9
109.10164	49.1
110.07217	4.2
111.04477	3.0
119.08582	96.5
121.10159	8.7
123.08074	4.9
125.06034	2.5
133.06517	6.1
133.10120	54.2
135.08380	2.3
137.09608	30.8
143.08615	3.2
147.08037	15.0
151.07556	21.3
152.89233	2.5
153.01907	2.9
155.10672	15.9
160.58366	2.6
161.09630	30.1
163.11201	15.4
165.09119	49.8
166.09431	2.8
169.08557	4.8
179.10675	41.6
183.10168	44.6
189.09106	16.2
196.72202	2.3
197.11740	60.3
207.10173	31.9
208.02950	3.5
225.11218	100.0
243.12280	88.0
260.09128	27.8
261.13330	8.2
278.04117	3.0
278.10263	4.6
308.24490	2.6
309.07663	3.4
441.17429	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	440.9604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02685	0.8
71.45670	1.0
94.93015	48.5
98.97588	2.3
103.26794	0.8
107.60638	0.8
110.97598	1.4
112.89610	8.4
136.94048	2.0
150.91975	4.1
158.99680	1.8
166.27803	0.8
170.99625	1.2
206.88597	12.3
210.94090	5.9
248.89653	100.0
261.02838	1.9
268.98254	25.7
279.03842	1.3
321.04849	1.2
324.94077	0.9
334.92450	1.2
335.02283	0.8
336.90356	1.0
362.91772	1.0
380.93088	1.0
398.93741	1.9
422.93729	3.8
440.94962	1.5
441.09467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1523
Annotation	Pharacine
Peak:m/z	Relative Intensity
55.05507	2.4
57.03436	2.3
65.81002	1.9
67.05502	1.8
69.03382	2.0
69.61409	5.3
71.04991	3.9
72.57124	1.5
80.47485	1.4
81.03382	2.3
85.02920	11.1
86.09711	3.5
87.55299	1.7
97.10171	5.3
97.61130	1.5
98.97628	2.6
111.04436	2.5
117.30563	1.6
122.36883	1.7
127.03914	2.5
129.05479	1.9
137.05984	1.8
147.06471	1.7
153.01813	21.0
163.11192	3.7
167.03450	2.6
179.03412	2.2
181.12152	2.7
205.04976	2.2
208.02884	2.1
209.04607	2.5
227.12796	2.9
244.29698	1.7
263.05603	2.8
263.15002	2.0
279.05603	2.0
279.13321	3.6
321.06332	2.2
434.66357	2.3
441.15399	100.0
442.15741	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23203	0.5
53.14273	0.6
57.68927	0.5
60.43073	0.5
60.46695	0.5
64.59329	0.6
66.59811	0.5
71.04980	0.9
72.08165	0.6
81.03431	0.8
81.07034	0.7
85.02921	1.2
97.02912	1.2
98.23499	1.6
109.02882	0.6
124.90659	0.5
125.05983	0.7
126.03091	0.6
135.41673	0.6
136.07629	0.7
153.01817	2.9
153.05496	1.0
167.03427	3.9
168.38831	0.6
179.03468	0.7
185.04379	1.2
187.32124	0.6
189.50352	0.6
219.06624	0.6
261.09393	0.8
279.11987	0.9
353.15839	0.9
357.15253	1.2
441.17337	100.0
442.17679	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	441.1736
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
53.03933	1.1
55.01871	0.5
55.05513	15.4
57.03429	1.0
61.02913	1.4
69.03431	5.6
69.62492	1.5
71.04992	0.8
73.02934	0.9
81.03407	1.6
83.08622	27.2
84.08952	0.7
85.02907	6.9
87.04460	0.7
97.02905	4.0
99.04448	0.7
107.08607	2.1
109.02869	0.7
125.09655	2.5
127.03907	1.7
130.69458	0.4
153.01854	0.6
171.10146	1.0
185.04227	1.9
193.08379	11.9
194.08755	0.5
233.11525	1.1
239.77499	0.5
271.07904	2.9
350.59412	0.5
355.13458	1.8
413.17755	3.9
439.96347	0.4
441.11734	8.4
441.17209	100.0
442.11966	0.7
442.17438	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
57.03742	0.4
69.38745	2.2
71.43902	0.5
71.46792	0.5
78.12093	0.4
82.88725	0.5
90.67057	0.5
96.81425	0.5
153.01828	0.7
185.04189	0.6
201.03693	0.7
205.08398	0.6
279.12115	1.4
300.12027	0.5
349.71396	0.5
353.65839	0.5
409.18298	0.8
413.18045	0.6
421.19598	0.7
441.17328	100.0
442.17627	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.9
67.05499	4.3
69.80693	10.0
90.34895	3.0
95.08597	3.7
100.27569	3.0
107.08614	3.6
152.35144	3.3
153.70496	2.9
155.08498	3.2
159.08116	3.6
179.13942	3.2
183.59737	3.2
215.14299	3.9
216.40591	3.1
223.07324	7.0
305.47784	3.4
371.00360	2.8
403.50711	3.7
407.21915	100.0
408.22040	3.8
426.20547	3.8
441.26862	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	441.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
59.36566	0.2
69.07083	0.3
69.27527	1.2
70.14352	0.2
75.70926	0.2
79.05506	0.3
81.07065	0.7
93.02477	0.2
95.04984	0.2
95.08624	0.4
98.22665	0.4
107.08615	0.3
109.10162	0.3
119.08556	0.3
123.11687	0.3
153.01839	0.5
165.09178	0.5
165.95119	0.2
176.03082	0.2
179.50313	0.2
199.59431	0.2
201.03773	0.4
203.05241	1.6
205.07741	0.8
233.07140	0.3
251.08304	0.8
261.18356	0.4
279.07758	1.4
279.15457	0.3
279.19406	0.6
322.13138	0.2
348.98093	0.2
409.18369	0.9
441.24667	100.0
442.24994	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	441.2464
Annotation	Phe Phe Lys
Peak:m/z	Relative Intensity
54.19263	0.4
56.02558	0.5
56.96569	0.9
58.59137	0.5
63.93256	0.5
66.44653	0.5
69.22101	3.1
81.07060	1.0
88.37292	0.4
91.05480	0.8
93.07080	0.7
95.05018	0.5
95.08633	0.5
98.97608	0.9
102.71822	0.5
103.33311	0.5
105.07037	0.8
107.08594	0.7
115.59893	0.5
119.08599	0.6
121.10117	0.6
153.01840	2.0
165.09090	1.2
172.03302	0.6
182.17387	0.4
235.10054	1.1
241.03122	0.5
255.14108	0.5
261.14740	0.6
279.15726	1.0
292.43579	0.5
332.82349	0.6
397.15308	0.6
400.86401	0.5
401.24481	0.5
441.25046	100.0
442.15668	0.8
442.25558	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	441.2461
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
50.02522	0.4
51.01052	0.4
56.72132	0.4
61.28335	0.3
63.43487	0.4
69.43842	1.5
73.52293	0.4
81.07080	0.4
93.07076	0.5
95.08635	0.4
98.23463	0.5
107.08572	0.4
109.10155	0.4
121.06598	0.4
123.11680	0.4
153.01819	0.6
192.06216	0.4
271.06122	0.4
279.10226	0.5
279.19247	0.6
315.43454	0.4
362.36295	0.4
437.73206	0.4
441.24640	100.0
442.25055	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20875	0.3
64.60921	0.3
69.46078	0.6
69.46490	1.1
82.65737	0.3
164.67891	0.3
170.15428	0.4
198.14729	0.4
203.05327	1.5
261.18207	0.5
279.19418	0.4
285.63651	0.4
315.01379	0.6
441.24701	100.0
442.25067	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	441.2466
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
52.75489	0.3
62.27933	0.3
70.47125	0.6
71.05006	0.3
77.05221	0.3
78.31103	0.3
79.05485	0.3
81.13135	0.3
91.05548	0.3
93.07098	0.7
98.23088	0.5
103.05521	0.3
104.79437	0.3
105.07040	0.7
107.44579	0.3
121.10144	1.6
149.09592	1.7
165.09166	0.8
201.03745	0.4
203.05270	2.1
205.12177	0.3
210.14893	0.3
261.18350	0.4
279.19272	0.4
340.63379	0.3
374.39502	0.3
424.31711	0.4
441.24670	100.0
442.25018	6.9
442.30838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
57.03432	0.8
69.03422	3.1
69.32514	1.3
69.32896	1.5
71.04980	1.0
79.01859	2.1
81.03423	8.0
85.02903	4.4
97.02892	5.8
98.22662	1.6
99.04454	0.9
99.08112	0.8
107.01313	0.7
109.02872	4.7
125.02351	2.3
127.03932	6.6
143.03429	4.0
145.04947	1.2
153.01833	100.0
154.02130	2.6
171.02892	11.8
189.94778	0.8
263.05521	4.4
297.06082	11.2
297.43997	0.8
315.07126	12.4
315.10498	1.3
346.17892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05355	0.3
55.01862	0.5
57.03437	1.1
61.02918	1.5
69.03440	3.5
69.84976	0.8
79.01850	1.3
81.03404	0.8
85.02906	19.7
88.04377	0.3
91.03947	0.4
97.02900	3.9
98.22745	0.4
99.04435	0.7
109.02881	1.6
112.63365	0.4
125.02355	1.1
127.03920	3.7
143.03386	2.2
145.04971	3.2
153.01828	100.0
154.02174	1.6
263.05515	44.0
264.05908	1.3
273.13861	0.4
288.54468	0.4
298.78772	0.4
310.62912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.36985	0.5
56.96574	5.8
69.03415	4.7
69.07055	0.7
70.75371	0.6
71.04989	1.2
71.44867	0.9
79.01847	1.8
81.03426	5.7
85.02901	10.5
86.09194	0.8
86.09710	14.9
90.76064	0.5
97.02892	6.3
98.97597	4.6
99.04483	0.9
100.17121	0.6
107.01296	1.0
108.75960	0.6
109.02898	5.0
113.06008	0.6
116.98611	2.0
124.99081	1.0
125.02348	2.0
127.03902	7.5
131.07022	0.8
132.10205	10.6
143.00116	1.2
143.03409	4.5
145.04938	2.5
153.01828	100.0
154.02165	1.7
159.03264	0.7
161.01207	1.5
171.02885	10.4
182.99706	0.8
185.01245	0.6
187.02789	1.0
201.00658	1.9
203.02242	1.2
213.00690	1.0
219.01830	1.2
221.96352	0.6
226.98592	1.6
229.03822	0.7
231.01707	1.9
237.03046	0.6
244.99677	5.4
249.02728	1.2
262.03238	0.7
263.00974	4.8
263.05521	18.0
284.61105	0.6
297.06027	8.0
303.01498	0.7
315.07077	9.1
365.02002	0.8
383.02911	1.3
401.04050	3.1
419.04654	0.9
443.04959	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	443.0978
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.02398	1.4
53.03954	0.4
53.21347	0.4
55.01878	0.7
57.03441	0.5
59.32062	0.4
67.05507	1.2
68.99780	0.8
69.03440	1.2
69.71218	1.4
71.05009	0.5
77.03942	1.1
79.01846	1.6
81.03419	2.0
83.04990	0.5
83.21059	0.4
85.02910	2.7
89.62113	0.4
95.04961	1.8
97.02893	6.2
99.04456	0.8
105.03401	1.5
105.07008	0.5
107.04952	0.7
109.02926	1.9
111.04428	1.3
116.04979	0.5
119.04930	0.8
123.04432	100.0
124.04750	2.0
125.02327	0.7
127.03931	3.9
135.04410	0.6
135.08051	1.9
139.03905	32.9
140.04211	0.5
143.03392	1.5
144.04449	8.6
147.04419	5.5
151.03897	10.8
153.01830	24.1
153.02948	1.4
154.02193	0.5
161.05995	0.9
162.05501	59.4
163.03857	0.8
165.05493	5.0
173.09584	0.6
177.24725	0.4
187.11128	1.0
189.05437	1.0
190.04991	45.8
207.06409	1.2
213.05286	0.4
215.10619	0.6
233.11708	0.7
245.11667	0.7
255.06549	0.7
263.12811	1.0
273.07516	3.7
291.08603	6.9
316.08157	16.6
334.09158	2.5
411.15927	0.6
443.18225	0.6
444.12607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1891
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
66.57146	0.3
70.99417	0.3
79.77509	0.3
83.38440	0.3
86.56570	0.3
92.03449	0.3
95.82594	0.3
96.73426	0.3
156.19743	0.3
181.12288	0.3
191.10463	1.2
203.05293	0.9
223.09378	1.4
263.12549	2.7
281.13385	0.7
371.16776	9.3
372.17291	0.4
385.14594	0.6
425.17728	0.5
443.18884	100.0
444.19247	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	443.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05549	0.6
69.03469	0.5
70.15878	0.5
81.07110	0.5
85.02949	0.6
93.07088	1.0
109.06565	0.9
109.10210	0.8
119.95100	0.6
123.08157	0.6
139.03979	0.7
151.07643	0.6
165.09192	0.9
185.04282	0.5
189.59843	0.5
207.10037	1.0
271.11368	0.7
281.13589	100.0
282.13873	2.7
383.16507	0.6
404.97653	0.6
411.11990	0.6
411.16272	6.4
412.16443	0.7
425.17499	1.6
443.18567	81.2
444.18863	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	443.1892
Annotation	Tyr Phe Asn
Peak:m/z	Relative Intensity
51.68231	0.4
69.80508	1.3
76.35587	0.3
121.10161	0.7
126.47289	0.4
149.09607	0.9
159.11644	0.4
165.09023	0.5
176.02948	0.4
196.89041	0.3
203.05257	5.1
219.13606	1.1
263.12585	1.2
269.92044	0.4
281.13617	23.4
282.13983	0.5
323.13663	0.4
443.18869	100.0
444.19208	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	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33243	2.3
53.87292	2.1
55.01871	7.6
55.05508	43.9
57.07072	30.9
67.05501	30.1
69.03432	3.4
69.07067	100.0
70.63388	4.3
71.08633	22.2
79.05483	17.4
79.22174	2.0
81.07055	89.9
81.41823	2.2
83.03862	2.0
83.04990	4.4
83.08617	60.9
85.10177	6.2
87.04459	3.2
91.05463	11.9
93.07042	25.4
95.04966	5.2
95.08605	77.7
97.06543	6.3
97.10171	33.0
99.04455	3.4
99.30453	2.2
101.94138	2.2
105.07030	18.2
107.08595	21.3
109.06516	14.4
109.10154	45.8
111.08082	6.3
111.11718	18.1
114.45640	2.1
116.45023	1.9
117.06993	2.8
119.08589	11.3
121.06516	8.1
121.10166	15.6
123.08065	10.2
123.11707	22.0
124.05187	4.2
124.12103	2.2
125.06008	7.6
125.09608	2.5
125.13236	4.1
131.08566	3.2
133.10124	6.6
135.08044	3.3
135.11679	13.8
137.05959	24.5
137.09575	4.6
137.13229	13.5
139.06459	3.4
139.07535	70.4
145.10143	3.8
147.08043	2.4
147.11696	9.1
149.05983	2.7
149.09596	5.2
149.13248	13.1
151.07536	15.9
151.14850	5.5
153.12735	2.4
159.07910	2.0
159.11766	2.4
161.06046	3.0
161.09673	4.3
161.13277	8.8
163.11192	3.0
163.14790	4.9
165.05498	14.0
165.06769	2.2
165.09116	34.3
165.16434	2.2
165.87587	2.0
167.07043	9.8
173.09526	2.8
175.11208	2.7
175.14792	5.5
177.09125	6.9
177.16386	5.1
179.06987	19.0
181.08577	3.1
187.11237	2.5
189.12714	5.3
191.10681	2.5
193.08597	14.9
203.10701	6.1
205.12260	5.1
207.10193	3.2
217.12251	5.4
221.11752	6.4
229.12163	4.3
231.21060	2.3
235.13297	3.9
245.15245	3.3
263.27435	6.4
287.27322	9.5
305.28375	9.5
397.34732	2.5
415.35724	6.2
425.34076	8.9
443.34872	46.1
444.34937	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	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05502	2.6
57.07071	3.4
60.79536	0.4
67.05507	1.8
69.07069	6.1
69.08253	2.9
71.08627	3.3
76.61548	0.5
77.37085	0.5
79.05501	2.2
81.07056	9.5
83.08611	1.8
85.06512	0.8
85.10174	2.1
91.05460	2.1
93.07043	3.4
95.08601	3.9
97.06543	1.0
97.10176	1.6
105.07027	3.4
107.04946	0.8
107.08578	2.7
108.75986	0.4
109.06496	0.7
109.10147	2.1
111.11691	1.0
117.07025	1.0
119.08612	2.8
121.06515	0.8
121.10149	1.4
123.08102	0.5
123.11668	0.9
125.54139	0.4
129.06978	0.9
131.08540	2.2
133.10127	6.4
135.08064	1.0
135.11703	1.0
137.09601	0.7
137.13252	0.8
138.29892	0.5
138.70518	0.5
142.07765	0.5
142.26447	0.4
143.08548	1.9
145.10123	3.9
147.11687	3.5
149.09583	0.7
149.13181	0.7
155.08575	1.4
157.10106	2.7
159.08064	1.2
159.11717	3.4
161.09654	1.5
161.13266	1.3
163.14919	0.6
165.05461	0.5
165.09132	1.8
167.08644	0.5
169.10123	2.0
171.11720	1.6
173.09595	3.4
173.13234	0.5
175.11174	1.7
175.14832	0.6
177.09047	0.8
177.12772	1.0
178.13141	0.6
181.10172	1.0
183.11673	5.7
183.81909	0.6
185.13217	2.6
187.11273	1.2
187.14819	0.5
191.10670	1.3
195.11742	0.7
196.12514	0.7
197.13307	1.4
199.14789	1.4
201.12808	3.0
205.12254	0.6
207.11778	0.7
209.13303	1.5
210.13974	0.4
211.11365	0.6
211.14822	3.3
213.12848	0.5
213.16357	1.0
223.14764	0.9
225.12738	0.6
225.16365	3.1
227.14328	0.6
235.14723	0.5
237.16403	1.0
237.22231	0.7
239.14267	1.3
239.17889	1.3
246.24860	0.5
249.16463	1.7
267.17444	2.0
271.16980	0.5
275.16595	0.5
285.18576	2.0
365.31879	2.0
379.33490	1.6
389.31805	0.8
407.33002	3.7
425.34369	2.7
443.35190	100.0
444.35614	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
57.03419	0.4
69.03430	1.7
69.80500	0.7
71.04984	0.7
73.02924	0.4
81.03410	2.5
83.58956	0.2
85.02899	4.4
85.06470	0.2
89.03928	0.6
93.38201	0.2
97.02893	8.7
97.91935	0.2
99.04442	1.0
107.04948	0.6
109.02875	2.9
112.05762	0.2
115.96387	0.2
116.04971	1.0
122.13403	0.2
123.04419	4.3
124.04752	1.5
127.03910	4.6
130.43674	0.2
131.08609	0.2
134.95430	0.2
135.04387	0.7
137.05991	0.3
139.02911	0.2
139.03920	1.4
140.04144	0.5
144.04434	16.9
145.04987	0.5
147.04413	0.3
151.03841	0.3
152.04272	0.3
153.01808	0.9
154.02179	0.4
155.57707	0.2
162.05495	100.0
163.05850	2.3
172.03947	0.5
185.07153	0.3
190.04985	76.2
191.05370	1.6
196.75853	0.2
241.07346	0.6
259.08542	0.3
268.06085	0.3
268.68362	0.3
283.09024	0.3
292.08823	0.3
298.06955	0.7
299.11313	0.3
316.08142	25.2
317.08405	1.0
334.09189	3.1
444.12897	1.5
444.18192	0.2
445.14700	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	444.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05516	1.2
57.03440	9.4
57.07070	3.0
59.05002	0.8
61.02927	1.1
63.04491	4.3
69.03422	1.2
70.63909	0.4
70.64220	0.5
71.04993	67.7
72.05335	0.6
72.36649	0.4
73.02927	1.9
75.04486	5.5
81.03422	0.9
83.04981	7.5
85.02905	100.0
86.03233	0.9
86.06059	0.5
86.09711	0.9
87.04480	1.7
89.16855	0.4
97.02891	2.5
99.04442	1.0
103.03930	1.2
111.04453	9.1
118.97610	0.4
119.10696	20.9
120.11019	0.4
120.29748	0.4
127.03912	4.0
129.05479	50.5
130.05803	0.6
145.04924	2.8
146.08113	0.7
147.06520	33.5
148.06927	0.5
151.27255	0.4
163.06027	0.8
164.09175	3.7
165.07558	0.5
171.06572	0.5
178.61272	0.4
229.14299	0.6
237.07503	0.8
244.86949	0.4
255.08525	1.7
265.16455	4.5
273.09579	1.9
309.11783	2.2
444.18164	1.4
444.29623	1.2
445.20065	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	445.0902
Annotation	Phe4Cl-His-OH
Peak:m/z	Relative Intensity
57.74406	2.6
64.62741	2.2
67.05512	5.0
69.07069	5.5
69.28831	14.6
73.04765	3.3
81.07072	3.2
91.05850	5.4
93.07095	3.2
94.58153	3.0
96.61219	2.5
98.97563	3.5
109.02931	2.9
109.10178	7.8
145.10065	3.2
167.05632	3.6
247.16998	3.8
275.05917	3.5
284.46738	3.1
355.03528	4.9
359.02774	5.6
445.09009	100.0
445.19476	3.9
445.25085	5.6
446.25415	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	445.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.4
53.03931	0.6
61.02901	0.4
69.03431	2.8
70.79718	0.5
71.04979	1.6
79.01852	3.4
81.03421	5.4
85.02905	3.3
97.02904	4.2
99.04453	0.6
107.01318	1.9
109.02877	4.3
113.05981	0.7
120.04275	0.3
125.02350	3.2
127.03914	6.3
131.07010	0.9
143.03401	4.5
145.04938	0.9
153.01825	100.0
153.02884	4.7
154.02190	1.9
171.02875	12.2
187.07863	0.4
297.06033	6.7
315.07098	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27151	0.3
51.47665	0.4
53.03939	0.9
56.54273	0.3
57.28460	0.3
62.14398	0.3
69.03425	2.6
70.03511	0.7
70.03831	0.5
71.04988	1.6
74.14528	0.3
79.01859	3.2
81.03419	5.6
83.74866	0.3
85.02917	3.0
86.15926	0.4
97.02890	4.7
98.22786	0.4
99.04481	0.5
101.67548	0.3
107.01322	1.9
109.02874	4.3
113.06021	1.1
125.02317	2.8
127.03905	6.9
131.07076	1.0
143.03394	5.0
145.04930	0.9
153.01826	100.0
153.02884	4.9
153.70317	0.4
154.02185	1.5
170.06296	1.8
171.02873	12.6
185.04202	0.6
203.05318	2.0
208.63501	0.4
221.11516	1.4
237.04024	0.5
283.11411	0.6
297.06030	7.2
315.07077	11.0
374.38046	0.4
381.42944	0.4
383.16766	11.7
427.15799	0.4
445.16754	24.2
446.17050	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	445.1474
Annotation	Pratensin B
Peak:m/z	Relative Intensity
58.72714	1.3
66.94901	1.3
70.96886	1.7
73.04747	1.5
77.28873	1.3
79.05453	2.0
84.96020	2.1
85.02901	1.4
85.06535	1.5
91.05824	2.1
93.07045	1.6
98.97572	1.9
105.07031	2.1
107.04930	3.9
108.05247	1.3
162.05374	1.8
163.05835	2.1
167.05583	1.7
189.22499	1.3
190.04906	1.9
191.05287	1.9
241.07452	3.7
255.08987	2.7
259.08276	1.7
283.08441	4.4
301.09537	2.1
325.09210	3.1
343.10449	1.9
355.51163	1.6
359.02527	2.1
427.25723	2.1
445.14386	100.0
445.19104	9.5
445.27985	2.8
446.14706	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	445.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
54.44397	0.7
55.01865	2.8
57.03439	4.8
59.04983	0.9
61.02927	8.2
67.05464	0.8
68.99785	3.7
69.03062	1.2
69.03428	23.1
70.44187	1.1
71.04984	2.5
73.02913	3.5
79.05479	1.6
81.03416	7.4
81.07051	4.9
83.04971	1.4
85.02904	49.5
87.04463	4.2
91.03952	3.1
91.05470	5.9
93.07037	3.8
95.04987	2.6
96.51867	0.8
97.02893	17.5
99.04446	2.8
103.03929	1.0
103.05457	4.3
103.60889	0.6
105.04479	0.7
105.07017	3.0
107.04967	4.9
109.02873	4.9
109.06532	0.8
111.04447	2.4
115.05458	2.3
117.07023	9.4
119.04922	0.7
119.08566	1.1
121.06499	23.2
123.04429	24.2
127.03914	9.6
128.06151	0.7
129.06955	1.5
130.07751	1.8
131.04936	3.5
131.08583	2.4
132.05667	2.1
133.06502	3.1
135.04506	0.9
135.08052	1.7
137.02342	1.2
137.05980	16.4
143.08588	1.4
144.05711	2.7
145.04962	9.9
145.06477	30.4
145.10147	5.2
145.51268	0.7
146.06783	1.1
147.04454	0.7
147.08043	4.9
149.05975	47.7
150.06703	2.2
151.07497	2.9
155.06065	1.9
155.08528	1.6
158.07231	4.7
159.08047	1.0
161.05984	1.9
165.07002	0.8
165.09061	2.2
167.08484	0.9
171.08067	1.2
173.06078	1.4
173.09612	41.8
174.09982	1.0
185.09653	1.3
189.09137	1.4
194.07300	0.8
195.08006	6.8
197.09715	1.4
209.09595	8.1
212.08282	0.7
223.11150	2.5
224.08330	1.0
237.09129	2.3
237.12756	5.5
241.12370	0.7
254.09293	0.9
255.10107	10.2
265.12183	3.6
283.13275	100.0
284.13602	5.7
295.13220	1.1
307.13272	3.7
325.14288	1.4
349.14200	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	1.7
55.05515	16.4
57.06867	1.0
57.07082	9.2
58.63011	1.0
64.94173	1.1
65.55166	1.1
67.05499	3.8
69.07068	39.0
69.47164	1.0
71.08624	5.2
79.05466	1.8
81.07053	11.3
83.08622	17.6
85.10171	1.3
91.05486	2.7
93.07048	4.6
95.08593	9.5
97.10163	9.8
97.93400	1.0
105.07038	1.6
107.08582	3.4
109.10141	6.8
111.11716	4.0
119.08563	3.7
121.10149	2.8
122.07307	1.2
123.08057	1.2
123.11702	2.3
125.13283	2.5
131.08588	1.4
135.08081	3.5
137.09634	8.0
139.07520	4.4
145.10040	1.5
146.72285	1.1
149.09628	10.2
151.07510	2.5
151.14763	1.1
153.09103	1.6
159.11699	1.9
161.09616	1.4
163.11137	7.1
165.09111	100.0
166.09499	2.9
173.09616	1.9
173.13213	1.9
173.68730	1.1
174.10339	1.3
175.11203	3.4
177.09099	8.3
179.10721	1.6
181.08618	3.1
187.11102	1.3
189.09154	2.8
189.12727	2.0
190.09924	1.3
191.10661	7.9
199.11142	1.5
201.12767	1.3
203.10689	7.2
203.14304	2.3
205.12219	12.8
219.13763	3.2
231.13869	2.9
245.15375	1.2
275.19946	1.2
289.21481	1.3
301.21680	1.4
303.23178	1.5
331.26413	1.2
345.27814	2.3
399.32352	1.9
409.34625	1.7
417.20584	1.6
427.35690	21.3
428.36469	1.3
430.17746	2.0
431.18475	1.5
445.20529	16.4
445.36853	6.6
446.20511	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	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	0.6
55.05513	10.4
57.07082	4.4
65.03941	0.4
65.57353	0.4
66.16101	0.4
67.05505	4.7
69.07072	15.1
69.78034	0.8
69.78384	1.0
71.08624	1.8
71.28682	0.4
79.05482	1.3
80.23521	0.4
81.07062	5.7
83.04979	1.0
83.08624	8.0
85.06538	0.5
85.10181	0.9
85.50311	0.4
91.05473	1.8
93.07060	2.8
93.07573	0.6
94.43575	0.4
95.08616	5.7
97.10180	4.1
105.07036	1.8
107.08601	2.8
109.10158	5.9
111.11715	3.0
117.06969	0.4
119.08585	2.9
121.06471	0.4
121.10166	2.7
122.07267	0.9
123.11691	1.3
124.09615	0.4
125.13285	0.5
128.06230	0.4
131.08543	1.7
133.10149	0.7
135.08043	2.8
135.11688	1.1
137.09624	9.1
137.13235	1.1
139.07526	0.5
145.10129	0.8
146.93256	0.4
147.11687	0.6
149.09624	8.2
149.13266	0.8
151.07483	0.9
151.11230	0.4
151.14783	0.5
157.10146	0.6
159.11691	1.1
160.08894	0.6
161.09641	0.9
163.07539	0.4
163.11206	8.7
165.09122	100.0
166.09464	2.0
171.11737	0.9
173.09628	1.7
173.13275	0.8
175.11162	2.8
176.08324	1.3
177.09113	6.5
177.10580	0.7
177.12685	0.8
179.10709	0.7
187.11163	1.0
189.09132	2.0
189.12769	1.4
190.09848	1.0
191.10681	4.9
199.11195	2.8
201.12733	1.3
203.10719	3.9
203.14320	1.4
205.12267	6.3
207.13792	0.5
215.14384	0.9
217.12239	1.3
219.13853	2.3
231.13806	1.5
233.15387	0.7
247.91379	0.5
261.18542	0.6
275.19946	0.4
289.21683	0.7
303.23294	0.6
331.26157	0.7
345.28088	0.6
399.32324	0.6
427.35638	5.3
428.36530	0.5
445.20099	6.3
445.36774	8.2
446.20721	1.5
446.37430	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05262	0.5
55.05513	7.8
57.07082	4.0
65.83808	0.4
67.05502	4.0
69.07072	14.5
71.08636	2.3
71.23846	0.4
79.05473	0.9
81.07066	5.5
83.08624	8.1
85.06548	0.6
91.05480	1.0
93.07043	2.0
95.08609	5.1
97.10169	3.9
105.07033	1.2
107.08583	2.8
109.10159	5.5
111.04460	0.5
111.11756	2.0
117.07041	0.4
119.08586	1.9
121.06496	1.2
121.10165	2.2
122.07270	1.3
123.08078	0.7
123.11698	1.2
125.05981	0.4
125.13277	0.8
131.08553	0.8
133.10118	0.7
135.08049	1.9
135.11719	1.1
136.08791	0.5
137.09615	8.7
137.13300	1.0
139.07535	1.5
145.10150	0.9
149.09616	7.9
149.13185	0.7
151.07576	0.8
151.14857	0.5
151.49376	0.3
153.09033	0.5
159.11723	1.2
160.08760	0.5
161.09627	0.6
162.06683	0.6
163.11194	8.1
163.49182	0.4
164.08365	2.6
165.09119	100.0
166.09465	2.8
169.44759	0.4
173.09612	0.7
173.13232	0.9
175.11180	3.3
176.08310	0.9
177.09108	5.5
177.12782	1.2
179.10683	0.9
186.10358	0.7
187.11201	1.5
189.09126	1.7
189.12750	1.5
190.09798	0.9
191.10678	5.3
199.11212	2.5
201.12688	1.4
203.10664	3.9
203.14359	1.1
204.11464	0.5
205.12274	6.4
215.14204	0.6
216.11330	0.4
217.12265	1.5
217.16051	0.5
219.13799	1.8
227.14339	0.5
233.15349	0.8
275.20071	0.4
289.21637	0.4
292.39661	0.5
399.32327	0.5
409.34647	0.6
427.35715	3.2
428.36417	0.6
430.17795	0.5
445.19983	3.2
445.36749	6.4
446.20767	1.2
446.37500	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05512	10.9
57.03412	0.3
57.06820	0.3
57.07073	4.3
57.42007	0.2
62.54016	0.2
65.03926	0.3
67.05505	4.9
69.03423	0.5
69.07067	18.2
69.10475	0.8
69.10894	0.9
71.08633	1.9
72.61773	0.3
79.05486	1.6
81.07054	6.9
83.04964	0.9
83.08621	8.6
85.06535	0.3
85.10162	0.8
91.05466	1.7
93.07053	2.5
95.04961	0.7
95.08607	6.8
97.10164	5.1
105.07055	1.3
107.04846	0.3
107.08590	3.3
109.06495	0.5
109.10155	6.0
111.04440	0.6
111.11729	2.0
117.07027	0.6
119.08577	3.1
121.06473	0.6
121.10137	2.6
122.07343	1.3
123.08039	0.8
123.11731	2.0
125.05982	0.4
125.13271	0.8
126.41730	0.3
131.08543	1.1
133.07524	0.3
133.10103	1.1
135.08049	2.9
135.11717	1.6
137.06036	0.3
137.09615	9.9
137.13226	0.7
139.07552	1.2
143.08582	0.4
145.06465	0.3
145.10143	1.3
147.11684	0.3
149.09608	9.7
149.13203	0.4
151.07535	0.9
151.14819	0.4
153.16377	0.3
156.09338	0.3
157.10121	0.8
158.07249	0.3
159.08005	0.8
159.11734	1.6
160.08786	0.6
161.09598	1.0
162.06772	0.6
163.11183	10.2
163.14841	0.3
164.11580	0.3
165.09108	100.0
166.09410	1.8
171.11674	0.5
172.08826	0.4
173.09622	1.1
173.13232	1.0
174.06844	0.3
174.10406	0.6
175.07623	0.6
175.11194	3.4
175.14697	0.3
176.08304	1.0
176.11571	0.3
177.09100	6.8
177.10555	0.5
177.12749	1.0
179.10716	1.3
185.09508	0.3
185.13237	0.4
186.10396	0.6
187.11125	1.7
187.14795	0.4
188.08267	0.3
189.09064	2.4
189.12740	1.5
190.09882	0.9
191.10664	5.9
193.12184	0.3
199.11171	2.9
201.09175	0.3
201.12769	1.4
203.10660	4.2
203.14326	1.2
204.11418	0.5
205.12250	7.3
215.14302	0.6
217.12132	0.9
219.13811	2.0
231.13820	0.9
233.15346	0.9
245.15276	0.7
247.16879	0.3
275.20126	0.5
289.21515	0.8
317.24524	0.4
331.26437	0.4
345.27945	0.5
399.32324	0.5
409.34613	0.7
417.33197	0.6
427.35715	3.8
445.20087	1.3
445.36786	6.8
446.37256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01876	1.8
55.05509	3.6
57.03447	1.5
57.07074	1.4
59.04990	1.8
59.21685	0.9
60.05658	1.9
61.65189	1.0
65.03937	1.0
67.01868	8.0
67.05513	11.1
68.99786	2.9
69.03436	46.3
69.56477	3.0
71.05003	3.5
73.02918	2.8
77.01044	0.9
78.06124	0.8
78.26433	0.9
81.03428	18.0
83.04990	21.5
85.02914	18.3
85.06540	2.2
87.00832	5.5
87.04476	2.0
93.03414	1.7
95.01356	1.5
95.04994	7.5
97.02906	26.9
99.04462	3.8
103.03946	3.4
108.04476	1.3
109.02888	63.6
111.04453	37.9
115.03924	5.7
121.02905	1.5
122.98974	1.0
123.04487	1.2
123.41649	1.0
126.66862	0.9
127.03928	38.4
129.05495	27.4
139.03917	99.5
140.04222	1.4
145.04967	18.6
147.06534	4.4
153.01805	1.3
157.04980	35.7
167.45920	0.9
175.06038	100.0
176.06403	1.7
183.06471	1.4
187.05870	1.1
211.06039	31.4
217.07060	2.5
229.07091	59.8
247.08179	12.5
259.08176	1.1
283.08148	20.8
301.09198	23.8
319.10303	8.8
356.70480	1.1
446.15030	4.3
446.20795	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	446.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44946	0.8
53.03939	3.0
55.01879	0.9
55.05511	1.7
57.03433	1.9
57.07077	1.1
59.05007	2.3
60.05645	1.2
61.02914	1.3
62.50144	0.8
65.03960	1.1
65.98058	0.9
67.01875	5.2
67.05499	10.3
68.99808	2.2
69.03431	32.7
69.03806	1.9
69.07050	1.0
69.18844	5.8
71.05012	3.4
73.02919	2.4
73.12020	0.9
81.03415	12.7
83.04983	16.6
83.84374	0.8
85.02903	20.2
85.06577	1.4
87.00838	4.1
87.04491	1.8
93.03403	1.1
95.04987	6.2
97.02898	21.7
97.03495	1.7
99.04418	4.0
103.03954	2.7
108.04507	1.6
109.02881	52.5
111.04443	32.1
115.03919	3.9
121.02911	1.4
127.03910	30.7
129.05479	20.4
131.37956	0.9
139.03897	83.8
141.45636	0.8
145.04958	14.1
147.06499	4.2
153.01874	1.8
154.02162	1.4
155.07167	1.1
157.04962	24.6
167.05515	0.9
175.06013	100.0
176.06387	2.8
183.06537	1.7
201.07693	0.9
211.06020	25.6
217.07147	2.3
229.07076	60.9
230.07445	1.2
230.37582	0.9
247.08168	11.1
249.11237	1.0
255.08478	1.2
273.09521	0.8
283.08124	18.0
301.09171	24.5
302.09409	1.0
319.10278	9.5
360.02710	1.2
446.15790	8.4
446.21542	2.1
447.17664	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	446.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.6
61.02921	4.0
62.23407	3.2
67.05492	8.5
69.03418	10.6
69.07066	3.8
70.03280	11.2
71.04985	14.8
79.05123	2.9
79.05502	24.4
81.03413	6.6
81.07048	13.2
83.04971	8.1
85.02901	13.2
85.46264	2.9
91.05418	14.8
93.07029	10.8
95.04963	20.9
95.08616	8.1
97.02891	14.4
97.06525	10.0
99.04469	19.2
103.05454	9.4
104.44537	3.0
105.04509	2.9
105.07020	36.6
107.04953	51.1
107.08573	10.0
108.48494	2.7
109.02869	8.0
109.06509	9.5
111.04462	4.2
113.06016	7.5
117.06996	9.2
119.04941	16.1
119.08557	11.9
121.06497	4.3
121.10152	3.6
123.04444	4.1
123.08078	6.9
125.05984	5.5
127.03880	3.4
128.06216	8.6
129.06993	13.5
131.04926	19.7
131.08534	11.0
133.06476	13.8
133.10097	16.8
135.04414	42.3
137.05977	8.4
141.05428	8.0
142.07756	15.0
143.07082	4.4
143.08537	27.3
145.06442	4.5
145.10120	11.4
146.04884	5.9
146.06017	71.2
147.04422	3.8
147.08102	4.2
149.05986	11.1
151.07579	7.2
151.65318	3.2
153.01906	4.8
154.07626	3.4
157.08752	6.2
157.10123	29.2
159.06514	15.6
159.07953	6.7
159.11702	11.6
161.09650	20.9
167.08536	9.4
169.08656	15.9
169.09999	4.6
170.07253	4.1
171.08054	25.6
174.05530	17.2
175.11192	3.9
175.14772	5.4
179.10687	16.3
185.09607	55.2
185.13110	3.4
187.11156	5.6
189.09097	35.3
192.06606	16.5
195.07965	6.2
201.12715	4.7
203.10626	22.5
205.12251	3.4
207.10191	7.2
209.04475	5.0
213.09094	59.4
213.12657	4.2
221.11699	3.7
225.11237	7.0
231.10138	72.9
231.13847	14.2
233.04468	6.2
247.06029	3.1
249.11217	100.0
249.14915	11.0
250.11519	6.2
251.05502	7.4
263.05615	4.0
267.12277	18.2
318.09607	3.8
329.08728	14.5
431.47180	3.4
446.14819	6.8
446.19855	6.6
446.24561	10.6
447.16040	4.1
447.29648	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.4
69.07057	2.1
69.85917	0.9
79.64607	0.9
80.33352	1.0
109.10149	2.5
111.44804	1.0
119.08599	2.0
121.06519	8.2
135.08029	1.5
136.08829	11.2
137.09618	10.2
149.09560	1.6
164.08336	30.2
165.09114	86.1
166.09381	4.9
190.09801	1.3
205.12326	6.2
208.07169	1.1
225.72589	1.1
244.75821	1.1
343.77798	1.2
387.16605	1.2
388.16626	2.4
403.19070	1.5
428.36493	100.0
429.36923	8.7
430.17206	1.1
431.18332	2.1
446.20709	24.7
446.37314	1.9
447.21762	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	447.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47887	0.4
69.82764	1.0
69.90112	0.5
72.94867	0.4
89.38200	0.4
127.03935	0.6
130.66737	0.4
153.01872	1.2
155.02243	0.6
157.02870	0.5
176.62561	0.5
185.04224	0.8
189.54558	0.5
211.00623	0.4
211.93108	0.4
231.02908	1.4
259.02277	2.3
277.03482	3.3
285.03934	0.5
303.01328	1.4
444.01068	0.5
447.08972	100.0
448.09418	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	447.0929
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
53.96218	0.6
55.01867	0.8
55.05492	0.8
60.44959	0.7
61.02908	2.0
67.05476	0.9
68.99780	2.4
69.03402	1.2
69.07034	1.1
69.15853	1.6
69.16261	2.5
71.04967	0.9
79.05495	0.8
81.03427	1.0
81.07050	1.4
83.04966	0.8
85.02894	1.8
91.05489	0.8
93.07030	1.6
95.05029	0.7
95.08599	1.4
97.02885	2.0
98.22713	1.7
105.07037	0.8
107.08566	1.7
109.02908	1.7
111.00836	1.3
119.08553	0.9
121.10181	0.8
127.03888	1.2
128.04947	2.1
137.09596	0.9
146.06020	16.9
147.04388	1.4
151.07426	0.9
153.01828	12.6
154.54337	0.7
155.04938	0.8
161.02361	1.2
163.03883	1.3
165.12636	0.8
170.06068	1.1
171.04462	1.3
173.05927	0.8
174.05530	11.0
175.03917	2.2
183.04422	0.8
185.05992	1.6
187.03893	1.9
189.01836	1.8
197.05992	0.8
201.05527	0.8
203.03328	6.0
207.02866	1.2
211.03877	0.8
213.05458	1.9
221.05922	0.8
223.02191	0.7
225.05489	0.8
229.04991	2.2
239.03383	1.6
240.04166	0.7
241.05032	2.3
243.02888	2.9
249.18634	0.9
253.04947	1.7
255.02834	4.3
257.04459	1.6
258.05371	1.8
259.06134	1.6
267.06555	2.3
268.03699	1.4
269.04535	4.9
273.03903	4.9
277.05176	0.9
281.04459	0.8
283.02402	2.7
285.04013	4.5
285.06796	0.7
286.04782	6.5
287.05112	0.9
294.05237	1.1
295.06024	2.8
296.03073	3.3
297.03949	14.6
298.04596	1.7
299.74271	0.8
300.02853	0.9
300.08746	6.5
301.03400	4.3
305.04279	1.4
311.01929	0.8
313.03448	24.7
313.06650	1.0
314.04144	7.4
315.04959	3.2
319.05991	1.4
321.04114	1.2
322.04822	1.0
323.05420	1.8
325.03430	1.4
326.04269	1.4
327.04956	1.2
329.02939	9.3
341.02863	1.3
341.06555	6.4
343.04504	100.0
344.04959	5.8
347.05484	3.1
350.04141	1.1
351.05090	5.4
353.02899	2.9
365.06570	1.2
367.04440	1.4
369.06104	6.8
385.05569	4.1
393.06055	33.9
394.06265	1.5
411.07123	20.8
412.07452	1.6
429.08176	2.3
438.43604	0.6
447.09247	33.5
447.35635	2.0
448.09711	1.8
448.16119	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05513	1.5
56.96560	0.8
57.03442	11.4
60.04530	0.9
61.02925	1.2
68.29297	0.5
69.03438	2.6
69.32369	2.7
71.01359	0.7
71.05000	78.8
72.05330	0.8
73.02924	2.0
75.04488	5.3
79.05492	1.0
81.03429	1.3
82.67610	0.5
83.04987	7.8
85.02913	100.0
86.03247	0.9
87.04466	2.4
95.04987	0.6
96.17258	0.6
97.02915	4.1
98.23069	2.2
99.04465	2.2
103.03953	1.3
105.03423	0.6
109.02883	1.1
110.80149	0.5
111.04473	4.3
113.22493	0.5
121.02913	0.7
121.06537	0.7
122.66167	0.5
123.04411	1.8
127.03964	4.0
129.05489	45.2
130.05795	0.6
144.06575	1.3
145.02867	0.6
145.04955	4.7
146.08118	1.3
147.06537	25.3
153.01834	4.0
162.07611	1.0
163.05978	1.5
164.09209	7.2
166.08669	1.7
177.05505	1.3
180.08670	1.6
194.08153	1.1
225.07668	0.9
255.08519	1.3
258.99118	0.5
269.03317	1.0
287.05524	14.8
309.11868	0.9
320.10770	0.7
344.31107	0.6
377.36383	0.6
425.07294	0.9
425.19107	0.6
443.08118	0.6
448.18704	2.4
460.20273	0.5
474.97952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76613	1.8
55.05494	3.0
67.05499	4.6
69.03431	6.4
69.07069	7.5
71.05000	1.9
75.31083	1.9
79.05486	9.1
81.07059	5.2
81.42101	1.6
83.04987	15.0
85.02906	6.9
91.05471	9.4
93.07059	11.6
95.04964	5.8
95.08595	2.6
97.02874	2.8
97.06525	13.6
99.04443	2.2
105.07030	19.5
107.04980	13.3
107.08606	9.6
109.06519	5.3
117.07029	4.8
117.19711	1.5
119.08605	4.4
121.02820	2.2
121.06496	11.8
121.10127	2.4
125.05981	33.7
129.07031	2.0
131.08598	5.1
133.06570	4.6
135.08107	2.7
135.11668	2.8
137.05962	2.3
139.07564	2.7
143.07025	28.8
143.08627	2.8
145.06454	4.3
145.10127	40.4
147.11679	3.4
151.00200	1.7
151.07538	5.8
155.08554	2.0
157.08586	1.8
159.08090	2.6
159.11708	7.8
163.11177	100.0
164.11501	3.0
169.10127	2.5
173.09610	29.0
177.12755	3.5
187.11168	25.3
189.12799	3.7
191.10674	24.8
197.09608	4.1
205.12216	18.6
209.11783	4.6
212.42616	1.6
215.08748	2.9
215.10631	21.4
227.12820	1.7
233.11719	73.6
242.10600	1.7
251.12796	16.2
269.13876	6.6
303.05142	1.9
348.22250	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12015	0.2
53.03956	0.5
55.01875	0.5
55.05517	1.5
57.03435	9.9
57.62057	0.2
59.04998	0.8
59.75574	0.2
61.02919	1.8
63.93198	0.2
69.03427	2.0
69.44840	1.1
71.01345	0.6
71.04991	68.3
72.05335	0.7
73.02917	1.9
75.04482	4.8
81.03404	0.9
83.04980	7.7
85.02902	100.0
86.03246	1.0
86.06083	0.3
87.04469	2.4
87.04954	0.3
91.03954	0.6
97.02892	4.0
98.22760	0.5
99.04462	1.4
101.06012	0.5
103.03940	1.4
104.04959	0.2
105.07012	1.5
109.02875	1.3
110.06054	0.5
111.04443	5.4
127.03913	5.7
128.04225	0.2
129.05475	42.8
130.05807	0.7
133.06415	0.4
145.04964	6.1
146.08092	1.3
147.06519	27.5
148.06821	0.4
163.06020	3.5
164.09186	7.2
165.07582	0.8
215.10707	0.4
225.07509	0.6
230.63129	0.2
233.11662	0.4
237.07500	0.7
253.97067	0.2
255.08612	2.6
264.95917	0.2
273.09711	2.1
285.13428	1.1
302.15881	0.6
303.04947	0.9
309.11813	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	448.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	3.9
65.10069	2.4
65.84651	2.2
67.05515	6.4
69.03438	6.3
69.07079	10.0
69.49659	13.1
70.07404	2.2
71.04998	6.2
73.69117	2.9
77.03922	2.8
79.05495	18.2
81.03412	3.0
81.07066	26.9
83.04983	20.1
85.02927	8.8
91.05503	14.5
93.07051	27.1
95.04993	11.5
95.08614	14.6
97.02901	6.9
97.06525	22.0
98.23434	6.0
99.04474	10.8
105.07039	36.4
107.04975	12.5
107.08616	19.1
109.06529	17.8
113.06009	3.0
114.97828	2.6
117.07047	10.2
119.04977	10.4
119.08617	7.4
121.02907	4.1
121.06509	28.5
125.06002	31.4
130.07817	4.5
131.08607	8.9
133.06500	6.1
133.10219	2.6
135.08072	10.4
135.11687	16.0
137.05972	16.9
139.07550	8.3
143.07040	17.0
143.08598	7.1
145.06572	3.7
145.10143	49.5
147.11707	6.4
151.07500	5.0
151.91899	2.5
154.07820	3.3
155.08600	3.1
157.08606	6.8
158.07304	5.1
159.08054	3.3
159.11700	25.6
160.11990	2.9
161.13318	3.1
163.11188	73.8
169.06549	2.9
169.10124	7.1
171.11734	3.6
173.09634	47.3
174.10074	3.1
177.05531	4.8
177.12796	2.8
179.08659	3.2
179.11400	2.8
181.12245	12.9
187.11221	35.3
189.12810	4.9
191.10664	19.6
197.09581	18.7
205.12273	24.4
207.02289	2.7
209.11787	8.5
215.10683	58.2
223.13272	3.6
225.14865	2.9
226.46236	2.9
227.12814	14.0
233.11740	100.0
251.12799	98.0
252.13246	4.4
269.13846	13.1
287.05707	3.8
303.05310	3.7
401.34097	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	448.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
53.78605	0.5
55.01874	0.7
55.05507	2.1
57.03447	11.1
59.05043	0.7
61.02932	1.5
67.05519	0.6
69.03439	2.4
70.72151	1.2
71.01359	1.2
71.05000	80.6
72.17770	0.5
73.02933	2.9
75.04489	4.5
75.44186	0.5
79.05502	0.8
83.04994	8.0
85.02915	100.0
86.03263	1.2
87.04488	2.8
95.04982	1.0
97.02895	4.8
99.04456	1.2
101.06059	0.8
103.03974	1.4
103.05467	1.0
105.07040	47.6
107.08613	1.7
109.02881	0.9
110.06078	0.8
111.04475	5.9
119.08604	9.2
121.06521	2.2
127.03923	3.2
129.05490	39.3
130.05794	0.7
131.08592	1.8
135.04427	1.0
143.08589	1.8
145.04968	2.4
146.08093	1.1
147.06549	24.6
147.08061	5.7
153.01863	2.3
159.08046	4.1
161.04465	0.6
164.09206	7.5
165.07724	0.8
167.03461	0.8
171.03029	0.8
171.08049	1.5
189.09116	4.9
215.10680	1.1
233.11768	1.0
251.12859	1.0
255.08763	2.0
263.81729	0.7
267.70349	0.6
273.09851	2.0
287.05533	42.4
309.11847	1.7
416.03198	0.7
450.91873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05518	2.6
57.07079	1.2
57.43361	1.1
59.04995	5.5
67.05506	7.1
69.03424	13.9
69.07063	2.3
69.24242	1.9
69.24652	4.8
71.04996	3.6
79.05500	3.3
81.03431	1.3
81.07053	15.8
83.04975	1.3
85.02898	6.9
85.06557	2.0
87.04454	1.8
91.05481	3.5
93.07026	10.6
95.04971	6.7
95.08603	9.1
97.05938	1.0
97.06562	2.9
103.78906	1.1
105.07027	10.2
107.08598	10.8
109.06533	6.0
109.10148	23.0
111.08128	3.0
119.08583	8.9
121.06496	1.6
121.10146	4.6
123.08067	50.2
123.11711	10.7
124.08376	1.4
127.03869	1.2
129.05493	3.4
131.08580	5.1
133.10123	16.0
135.08032	1.6
137.09619	1.7
141.09090	3.1
143.08609	2.3
145.10133	9.0
147.11691	12.0
149.09595	1.2
149.13272	1.3
151.11194	19.1
155.08522	1.1
155.94598	1.1
157.10097	2.1
159.08119	1.4
159.11700	6.4
161.13281	2.2
163.11153	1.3
163.14897	1.0
169.12175	2.2
171.11583	1.4
173.09651	4.2
173.13272	4.9
174.13588	1.1
175.11189	1.5
187.14819	8.4
189.91017	1.1
191.14366	2.2
197.13312	4.1
205.15810	2.5
215.14319	23.3
233.15344	18.0
251.16415	100.0
252.16734	2.5
269.17462	3.8
287.05475	2.7
303.05151	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	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.6
57.07078	7.2
58.06572	1.7
69.52022	2.4
70.06589	16.3
71.08627	3.0
74.06056	0.5
81.07007	0.8
85.10166	0.8
88.07625	19.8
91.05438	1.6
93.07040	0.8
94.09421	0.5
102.08524	1.0
102.09173	14.0
104.02576	4.8
107.08542	0.6
119.04909	1.8
128.65291	0.6
132.02058	7.1
136.01532	2.4
147.04398	22.6
148.05200	7.3
149.02350	1.0
162.96274	0.6
172.37622	0.7
175.03899	41.1
176.04626	2.5
180.04189	4.2
191.06964	3.0
193.04927	1.0
219.06511	79.5
220.06915	2.2
256.26340	42.3
257.26566	0.9
282.94888	0.5
293.71027	0.6
448.30563	100.0
449.30728	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	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.4
55.01879	0.2
61.02921	0.4
67.01863	0.8
67.05495	0.2
68.99799	0.5
69.03429	0.9
71.04987	0.5
71.43919	0.2
72.08151	0.4
73.02924	0.2
76.46807	0.2
79.01852	0.4
79.05504	0.3
81.03414	0.7
81.07045	0.4
84.04532	0.4
85.02907	2.9
89.03912	0.3
91.05473	0.4
93.07019	0.2
97.02882	1.1
97.76947	0.2
105.07016	0.3
107.05006	0.2
109.02886	0.6
110.06029	0.3
111.04417	0.3
111.08089	0.3
117.03415	0.3
119.08549	0.2
121.02857	1.1
125.02371	0.4
127.03944	0.4
135.04411	2.0
137.02342	0.6
143.03400	0.5
145.02840	3.9
145.04953	0.4
146.03218	0.2
148.68658	0.2
153.01828	10.8
153.02908	0.5
161.02321	0.5
162.05513	0.6
163.03922	0.3
166.08638	0.3
167.03397	0.2
171.02905	0.4
177.05484	0.8
178.05826	0.4
179.03423	0.3
181.35393	0.2
216.67227	0.2
229.08488	0.2
241.05029	0.5
263.05563	0.3
269.04428	0.6
274.07077	0.9
287.05493	100.0
288.05811	4.7
291.09689	0.9
303.04889	1.2
449.14120	1.3
449.19653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Quercitrin
Peak:m/z	Relative Intensity
50.73375	0.6
51.30040	0.7
54.34358	0.6
57.03434	5.9
57.21050	0.6
64.41330	0.6
70.74219	1.1
71.04992	31.1
74.68412	0.7
85.02905	31.0
85.03419	1.5
99.03495	0.7
109.86620	0.6
121.02926	0.8
129.05484	5.7
135.04396	0.8
137.02312	4.3
137.03249	0.8
147.06523	1.0
153.01808	4.7
157.02985	0.6
159.75241	0.6
160.86316	0.6
163.03920	0.9
164.65111	0.6
165.01871	2.1
183.02902	1.3
201.05499	2.5
229.04956	4.6
257.04587	3.4
285.03683	1.5
303.04980	100.0
304.05194	4.2
315.05112	0.9
345.06039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
66.49694	0.1
67.01881	0.4
68.99802	0.3
70.45235	0.2
71.04990	0.2
85.02913	0.5
89.03881	0.2
90.45831	0.1
105.07033	0.1
107.04948	0.1
111.00774	0.1
111.05501	0.1
117.03418	0.1
121.02831	0.1
129.05490	0.1
130.05804	0.1
135.03455	0.2
135.04419	1.4
137.02327	0.5
153.01817	4.3
161.02348	0.3
171.02873	0.3
179.03418	0.2
203.03571	0.1
213.05405	0.1
237.62587	0.1
241.04898	0.6
259.06073	0.1
269.04352	0.3
287.05493	100.0
288.05832	4.1
449.10568	0.7
466.74725	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.3
55.01873	0.6
55.05514	0.4
57.03442	1.2
61.02934	1.3
63.88136	0.2
68.99796	0.5
69.03435	3.3
71.05000	2.8
71.44580	0.2
72.05327	0.3
73.02918	0.7
79.05485	0.4
81.03429	1.4
81.07060	0.4
83.05016	0.3
85.02917	12.4
86.03214	0.8
87.04485	0.6
91.03941	0.4
91.05460	0.2
95.08595	0.2
97.02902	3.2
99.04446	0.5
105.03416	0.4
107.04979	0.3
109.02893	1.3
111.00790	0.7
111.04485	0.4
115.78930	0.2
121.02890	3.3
121.03845	0.3
127.03934	2.3
129.05504	1.3
129.06970	0.2
130.05830	0.4
133.02853	0.5
137.02385	0.8
138.33899	0.2
143.03372	0.2
145.04973	1.7
145.06335	0.3
147.04391	0.5
147.06511	0.9
148.06841	0.4
152.84413	0.2
153.01848	4.5
157.06487	0.5
164.09261	0.2
165.01863	1.9
169.06302	0.2
171.04472	0.2
179.95598	0.2
183.02933	0.9
185.05968	0.4
199.03886	0.2
199.21935	0.2
210.18243	0.2
213.05438	1.4
229.05070	0.3
231.06549	0.7
233.11646	0.2
237.14391	0.4
241.04958	1.0
246.14870	1.4
246.65036	0.4
258.05276	1.6
259.06058	0.4
269.04291	0.2
276.08661	0.8
287.05530	100.0
288.05859	4.8
288.08728	0.8
299.05615	0.3
303.04950	0.3
311.73813	0.2
324.10699	1.1
329.06735	0.4
449.19699	0.3
449.31110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1785
Annotation	Dichotosin
Peak:m/z	Relative Intensity
52.38378	0.5
61.02869	0.6
69.03391	1.0
69.07063	0.5
71.04936	1.1
75.55212	0.5
79.05447	0.7
81.03370	0.7
81.07000	0.7
85.02903	3.8
87.04421	0.4
91.05414	0.6
93.06987	0.6
95.08522	0.5
97.02823	1.7
105.06967	0.9
106.47526	0.5
107.08528	0.8
109.02853	0.7
118.46081	0.5
121.02836	1.2
127.03851	0.8
129.59459	0.5
135.04372	1.2
135.11656	0.5
137.02318	0.5
143.03322	0.6
153.01823	10.4
153.03011	0.5
179.42830	0.5
185.04150	0.7
199.07306	0.6
213.05473	0.7
230.11713	0.6
241.04976	0.7
244.09508	1.9
244.16980	1.7
287.05505	100.0
287.12482	49.0
288.05875	4.5
288.12924	2.5
288.19574	0.8
303.04977	0.5
379.15881	0.5
449.17969	71.4
450.18298	4.7
450.24203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2538
Annotation	Leucosesterterpenone
Peak:m/z	Relative Intensity
53.03950	7.2
55.01881	8.7
55.05516	33.1
56.84161	3.0
57.03432	9.0
57.07099	3.0
67.05511	45.6
69.03441	11.7
69.07073	26.9
71.05001	12.9
71.44657	3.2
79.05495	50.0
81.03419	100.0
81.07058	53.4
83.04996	12.4
83.08635	14.4
85.02913	14.9
85.06550	8.7
91.05485	55.2
93.07045	35.4
95.04967	27.0
95.08607	27.9
97.06532	15.6
97.10182	19.6
105.07030	26.3
107.04976	16.8
107.08602	31.0
109.02891	4.7
109.06524	11.4
109.10136	21.8
111.04436	3.6
111.08091	3.5
112.79811	3.3
115.07620	3.7
117.07024	14.4
119.08582	36.3
121.06514	33.7
121.10174	17.6
123.04463	8.4
123.08066	9.0
123.11724	4.6
125.05994	8.3
125.09630	18.4
129.05545	3.5
129.07002	15.4
131.04893	3.2
131.08578	17.3
131.09467	2.8
133.06519	10.3
133.10149	11.5
135.08049	12.1
135.11690	9.1
137.05980	3.8
137.09654	19.5
141.07045	6.0
143.07065	13.8
143.08578	8.4
145.06483	6.9
145.10143	11.3
147.08092	12.4
147.11688	12.1
149.05965	3.8
149.09689	8.5
149.13245	7.0
151.07582	3.1
151.11252	3.4
153.01805	4.5
153.09126	5.7
155.08588	6.6
157.06387	3.1
157.10150	9.4
159.11699	9.1
161.09663	8.1
161.13156	3.7
163.11249	4.2
165.09129	17.0
165.12796	3.4
169.10204	3.7
171.11757	5.0
173.09650	5.0
175.11148	7.8
175.14807	3.4
177.12794	4.6
181.10136	3.7
187.11200	6.3
187.31163	2.9
189.09143	3.4
189.11256	5.2
193.12260	20.5
197.13394	3.0
199.09650	6.9
199.11285	6.1
203.05368	3.5
203.10561	4.5
205.12280	10.2
211.13361	10.1
213.12849	4.0
221.11737	4.7
227.10675	4.2
227.12752	5.0
233.15257	4.5
239.12779	15.2
245.11511	4.1
267.15973	14.2
287.05499	17.0
303.05057	16.7
311.20059	6.9
313.17996	5.0
321.18533	5.3
329.21143	7.3
339.19504	32.0
357.20673	32.7
375.21460	7.0
405.22610	7.7
413.22989	5.7
431.24310	41.2
449.15942	5.0
449.25314	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32270	0.4
53.03953	1.0
55.01875	1.4
57.03434	3.5
59.04993	0.5
61.02926	5.0
65.03934	1.6
69.03430	10.9
70.44509	0.8
71.04989	1.5
72.16854	0.4
73.02924	2.2
81.03412	4.8
85.02904	60.6
86.03216	0.5
87.04485	1.0
91.03985	2.9
91.05479	100.0
92.05818	1.6
97.02894	33.5
98.22783	0.5
99.04457	2.0
105.07013	1.0
109.02878	4.5
111.04438	0.7
115.03948	3.9
117.06993	1.0
124.07600	0.6
126.25047	0.4
127.03024	0.9
127.03919	14.0
129.06975	1.4
133.06477	1.3
143.03465	1.0
143.08560	0.9
145.04958	27.0
145.06395	1.0
153.01802	2.1
153.06999	0.6
154.02124	0.9
157.06509	1.4
161.04491	2.9
163.06021	12.6
168.37918	0.4
171.08080	1.7
175.07547	0.9
217.08614	4.1
221.51279	0.4
235.09674	2.8
253.10646	4.3
288.05777	1.5
325.11206	1.6
410.59604	0.5
450.09442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01866	3.0
55.05505	3.8
67.05505	4.2
69.03439	3.5
69.07071	3.9
71.05000	4.8
79.05501	13.1
81.07054	29.3
82.07430	1.2
83.04989	5.0
83.08622	3.2
85.00768	1.2
85.02912	4.2
85.06535	4.0
91.05446	7.7
93.07042	40.5
95.04963	8.8
95.08606	17.8
97.06532	13.5
98.23507	2.8
99.04462	11.6
103.08097	1.1
105.07024	19.5
107.04948	1.2
107.08594	19.6
109.06528	20.0
109.10160	4.6
111.08100	4.5
113.05986	1.1
115.79163	1.1
117.07008	2.4
119.08585	16.7
121.06505	43.2
121.10149	4.8
122.06799	1.5
123.04485	2.0
123.08069	4.7
123.11694	2.3
125.06010	2.8
127.07566	10.0
129.06979	2.5
131.08586	2.8
133.06482	2.7
133.10149	10.1
135.04387	3.4
135.08061	10.2
137.06000	2.9
139.07529	16.7
142.07756	2.2
143.07114	1.7
143.08542	4.9
145.10147	5.0
147.08038	3.2
147.11681	33.3
148.12033	1.3
149.13235	2.6
151.07512	1.7
153.09113	1.5
154.48067	1.2
156.09396	2.9
157.08630	5.2
157.10141	15.2
159.11873	1.3
161.09720	1.4
161.13287	8.2
165.12747	17.1
171.11682	13.9
173.09581	3.4
173.13362	2.0
175.11163	18.8
181.10104	2.0
183.14124	1.3
189.12732	17.0
191.14374	3.0
193.12271	14.4
194.17270	1.4
199.11179	16.6
200.11484	1.3
207.13809	12.7
209.15291	8.6
211.13289	6.8
217.12234	51.8
218.12627	1.9
229.14340	5.7
235.13283	100.0
236.13538	3.9
253.14345	71.8
254.14719	2.0
271.15338	3.6
322.33472	1.4
430.13968	1.3
450.29352	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	450.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38665	2.0
55.01875	4.5
55.05509	5.5
67.05502	10.3
69.03425	3.1
69.07071	7.9
71.04999	8.1
79.05507	15.3
81.05852	1.9
81.07059	23.4
82.39605	2.0
83.04970	15.8
83.95993	2.0
85.02908	6.5
85.06546	7.3
91.05469	11.7
93.07043	36.3
93.07594	2.4
95.04998	6.7
95.08597	16.2
96.08111	2.1
97.06542	6.5
99.04461	14.2
105.07050	25.3
107.04965	8.7
107.08586	35.5
109.02894	2.6
109.06503	10.8
109.10164	9.1
111.08072	3.2
113.06046	3.0
115.11143	2.0
119.08568	15.4
121.02850	2.1
121.06496	11.6
121.10152	4.6
123.08090	4.5
123.11716	3.0
124.07606	6.2
124.53802	1.9
125.06015	2.9
125.09660	3.4
127.07554	4.8
127.11177	2.3
129.05479	2.4
131.08609	4.7
133.10120	11.5
135.04430	3.3
135.08064	6.9
135.11697	9.3
139.07553	4.1
143.08582	3.1
145.10123	10.2
147.04388	4.2
147.11674	36.4
153.12767	2.9
157.10155	6.5
159.11702	2.6
161.09592	3.0
161.13246	13.8
165.12752	5.4
171.11682	7.4
173.09673	2.2
175.11172	6.1
189.12749	17.3
193.12199	4.5
199.11203	7.5
203.17952	3.6
207.13800	24.1
217.12253	16.7
217.15868	4.1
221.19025	2.9
235.13286	38.6
235.16859	9.5
253.14349	100.0
253.17972	8.2
254.14749	4.3
264.90042	2.0
271.15427	6.7
271.18945	5.2
288.06015	3.4
304.05325	6.3
340.91394	2.3
389.62057	2.3
450.17529	2.5
450.24744	2.2
451.19199	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	451.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67279	0.6
69.36142	0.6
69.63229	1.1
69.63621	1.2
85.52267	0.6
93.74408	0.6
98.22785	1.5
98.23388	1.4
127.73039	0.7
160.15477	0.7
164.87186	0.6
167.45522	0.6
179.31731	0.6
217.67613	0.7
273.51413	0.7
345.81259	0.8
381.73624	0.7
433.03824	1.0
451.04898	100.0
452.05142	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32644	1.1
57.92181	1.3
70.40391	1.9
70.40713	1.6
94.93021	1.5
98.23171	2.6
169.63147	1.1
215.64259	1.4
268.98361	1.3
451.04913	100.0
452.05438	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	451.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50982	0.5
55.05513	1.0
66.34136	0.6
67.05500	1.6
69.07067	2.6
69.76175	0.6
79.05499	1.1
81.03408	0.8
81.07052	2.9
85.06498	0.6
91.05473	1.5
93.07038	2.4
95.04954	0.7
95.08592	2.9
97.06538	1.2
97.10123	0.7
105.07045	1.0
107.08611	0.8
109.06541	0.7
109.10168	2.1
119.08567	0.8
121.10102	1.3
123.11672	0.8
131.08504	0.6
131.29024	0.5
133.10135	0.9
139.55556	0.6
149.09831	0.6
149.13272	0.9
163.11169	0.8
185.04236	1.7
235.20541	0.9
259.09628	1.4
289.14093	73.4
290.14459	2.8
451.19275	100.0
452.19730	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	451.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.7
53.24620	1.4
54.14348	1.4
55.01877	3.5
55.05518	4.4
59.05013	1.6
67.05509	10.1
68.76311	1.4
69.03442	2.5
69.07055	9.6
69.30358	8.4
70.86787	1.3
71.04999	7.6
73.06542	1.5
79.05496	15.5
81.03407	1.8
81.07055	36.0
83.04978	13.6
83.08620	3.5
85.02936	3.1
85.06561	5.5
85.23023	1.4
86.09693	1.9
91.05457	10.6
93.07043	39.2
93.07600	2.6
95.04964	12.3
95.08610	30.0
97.06528	21.9
99.04463	16.9
105.04619	1.5
105.07021	29.8
107.08598	19.0
109.06503	20.7
109.10152	4.1
111.08081	15.5
113.06039	3.3
119.08571	15.0
121.06504	74.2
121.10146	4.1
123.04403	3.6
123.08082	4.0
123.11733	6.7
125.05984	11.4
127.07561	9.1
129.07016	2.6
131.08591	5.4
133.06548	1.5
133.10138	17.8
133.17723	1.6
135.04411	3.9
135.08052	7.9
135.11772	1.6
137.02342	5.9
137.05986	3.7
139.07533	18.2
141.05510	2.0
143.07043	7.5
143.08545	4.2
145.10164	7.4
147.04420	3.8
147.08025	3.0
147.11681	43.1
149.13237	2.2
151.07602	1.9
151.11163	4.8
153.01816	3.7
153.09116	3.1
155.08424	2.1
157.08737	9.8
157.10143	8.8
159.06535	7.4
161.13269	10.0
163.14850	2.2
165.12727	11.8
169.12207	11.2
171.11690	12.6
173.09447	1.9
175.11186	27.5
181.10176	2.8
189.12730	20.2
193.12245	25.0
196.20482	1.5
199.11163	28.0
207.13803	14.9
207.82852	1.6
211.13272	25.7
217.12225	76.1
225.14888	2.7
229.14230	10.5
235.13272	100.0
236.13597	2.4
244.16946	2.7
253.14340	92.2
254.14856	3.1
271.15320	12.2
287.05515	1.9
288.05942	2.3
289.06070	4.8
289.16418	7.0
289.19473	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47593	7.4
55.05514	22.7
56.14330	5.6
57.03429	15.4
57.07066	13.2
67.05502	63.0
69.07067	25.7
69.47522	27.1
79.05505	25.9
81.07056	66.4
83.08627	23.6
89.06042	18.9
90.74187	7.2
91.05482	15.6
93.07040	24.8
95.08602	63.5
97.10188	13.4
98.98473	98.4
105.07035	10.4
107.08605	14.1
109.10124	31.7
121.10116	15.3
123.11720	12.2
130.73683	6.4
133.10214	9.6
137.13237	10.9
145.12144	7.7
147.11697	8.4
155.01019	100.0
156.14034	6.0
161.13284	10.2
163.14774	9.5
171.97957	6.9
173.02145	19.7
176.17772	5.9
189.91246	6.6
236.42929	6.5
239.14844	7.7
245.22649	37.0
263.23654	78.7
337.27341	81.9
459.48331	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	452.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.7
57.03432	9.4
57.07100	9.7
61.00224	3.1
65.03925	3.8
67.05502	36.2
69.07072	16.5
79.05495	11.2
81.07060	42.7
83.08646	10.5
89.06052	11.1
91.05499	6.8
93.07057	11.9
94.97635	3.7
95.08619	33.5
97.10201	8.3
98.98462	31.3
105.07031	6.0
107.08602	8.3
109.10177	13.9
112.83780	3.2
119.08615	5.0
121.10140	5.1
129.38780	3.4
133.10222	6.2
135.11743	4.2
144.13261	3.9
155.01022	21.5
155.06992	4.2
163.56494	3.6
183.77731	3.4
208.04015	4.1
214.60359	3.9
239.14890	7.5
245.22696	6.3
263.23749	19.9
337.27368	100.0
440.73355	4.1
452.37155	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	453.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94757	0.5
55.01872	4.2
56.96566	11.5
69.03397	1.3
69.07047	0.7
71.04972	0.7
71.44534	0.5
77.13700	0.5
79.01842	1.3
79.05437	0.8
81.07041	0.7
83.01337	3.7
84.96019	0.8
85.02868	1.9
91.05464	0.8
95.04979	1.0
95.08542	0.5
97.02860	1.1
98.97607	2.4
107.04949	0.9
111.00753	1.3
111.08080	0.4
112.99110	1.5
116.98592	0.9
117.03365	1.1
119.04929	0.6
120.08030	0.8
120.70762	0.5
123.00731	0.5
123.04374	1.4
124.99115	1.1
125.02298	0.8
127.03881	0.6
131.00172	2.9
131.01064	0.5
135.04413	3.2
136.07538	0.9
139.00270	3.1
139.03896	1.0
141.02232	2.5
143.00163	3.2
143.03386	0.6
145.02809	0.9
147.04396	2.4
148.07588	0.6
149.01160	0.8
151.00752	0.6
153.00650	0.9
153.01831	14.8
153.03047	1.0
153.09099	0.7
157.01398	1.2
159.03299	5.1
161.01219	3.0
163.00604	0.6
163.03918	4.9
167.00084	1.0
169.01654	1.9
170.99614	0.9
175.00610	1.4
181.04932	1.0
182.08035	0.7
184.01007	0.5
185.00992	4.1
186.99135	1.2
187.02753	2.7
189.00659	1.1
191.00151	1.7
193.01723	2.8
194.99603	1.1
195.04358	0.6
198.19014	0.5
199.09610	1.0
200.98491	4.1
203.02306	4.7
205.00085	0.6
209.01265	2.6
211.02710	3.1
213.00705	4.1
218.99638	20.6
221.03326	2.8
226.03812	0.5
226.80330	0.5
227.15398	0.5
229.03815	0.6
231.01724	3.9
237.00696	100.0
238.01059	2.2
239.03575	0.7
240.89969	0.5
242.01285	0.5
244.15182	0.7
249.02791	2.0
251.03389	1.1
255.01764	34.9
256.02011	0.7
257.00781	0.9
260.02368	2.6
263.89383	0.5
267.03262	0.8
272.14542	0.6
273.02878	3.5
273.07639	0.7
273.12228	0.8
277.44751	0.6
278.03470	0.6
279.01929	1.8
283.01373	0.7
287.01831	4.8
290.15680	0.6
291.08560	0.6
291.13419	1.7
294.02808	0.7
295.02332	1.4
297.03052	0.9
303.01733	0.8
305.00430	2.9
305.03769	1.1
307.02249	1.9
312.99982	1.0
313.03641	1.9
315.01773	2.7
315.13571	0.5
323.01843	3.1
328.99289	1.6
329.03189	1.0
331.01089	2.1
331.04871	1.3
333.02963	3.1
335.01813	0.5
339.01559	1.0
341.02838	0.5
347.04489	1.3
349.02292	2.8
351.04117	0.8
357.02823	4.4
363.01385	4.0
369.02100	0.9
375.03888	7.5
379.00757	4.2
391.00848	1.1
393.04935	15.9
397.01999	1.1
407.00314	6.3
411.05981	40.3
412.06491	1.2
416.06213	0.5
429.01254	0.5
429.07056	2.2
432.27634	0.5
434.07581	2.2
434.99817	7.8
453.00912	37.8
453.13232	4.4
453.18933	0.9
453.22260	1.0
454.01340	2.0
471.01846	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	453.1398
Annotation	Robustaside E
Peak:m/z	Relative Intensity
53.03937	1.4
53.25665	0.9
55.05508	1.5
65.03922	4.7
67.05484	3.7
69.03417	2.2
69.34934	2.0
69.35332	4.0
71.04981	1.2
80.61877	1.1
81.03405	4.7
82.04173	1.4
83.08630	1.3
85.02875	3.9
91.53393	1.1
93.03392	1.6
93.07018	1.3
95.04963	3.5
97.02890	2.1
97.06484	1.9
100.11270	8.2
104.35754	1.1
107.08586	2.7
107.57172	1.1
108.02082	1.3
109.02858	2.0
109.06495	1.3
110.03640	2.9
111.04388	1.2
120.35184	1.0
123.04412	1.6
125.05964	1.4
127.03857	1.9
135.08026	2.8
138.03113	1.4
140.04677	8.4
142.02586	1.1
153.01782	2.6
153.05424	3.7
155.06963	2.3
161.17297	1.0
163.03911	2.3
164.04205	1.6
171.06433	3.9
180.21519	1.0
181.04973	100.0
182.05266	1.4
182.15271	1.1
199.06055	5.7
203.06778	1.9
209.16431	3.5
210.14841	3.1
291.11774	1.7
307.11240	1.7
325.09369	6.7
343.09970	2.5
435.33017	2.5
453.00552	3.4
453.16989	70.3
453.34406	12.9
454.17133	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	453.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06432	0.2
57.23442	0.2
69.33995	0.7
69.34396	0.4
71.05015	0.2
71.76662	0.2
105.25952	0.2
121.10103	0.3
126.10742	0.3
133.10147	0.2
136.64919	0.3
138.09099	0.3
141.81300	0.2
146.56024	0.2
162.65765	0.2
166.08682	0.3
181.04964	0.7
188.90288	0.3
193.12677	0.2
228.70697	0.2
291.17004	0.5
307.11575	2.9
338.80008	0.2
453.17313	100.0
454.17627	4.9
468.06915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07211	0.3
55.05510	0.5
56.32880	0.2
67.05479	0.3
69.03418	0.2
70.57930	0.4
79.05468	0.3
85.02908	0.3
100.11261	1.4
113.04224	0.3
120.77447	0.2
137.09569	0.3
149.40945	0.2
181.12263	0.6
182.15384	0.4
203.05254	3.4
210.14876	0.7
229.11966	3.0
231.09953	0.8
247.13150	0.6
257.63348	0.3
263.12573	0.3
273.10989	0.9
291.12024	27.3
292.12540	0.6
333.13068	0.3
409.18286	1.7
423.17389	0.3
435.33249	0.4
453.17297	100.0
453.34113	2.4
454.17593	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	453.1733
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
52.80665	0.4
64.31199	0.4
64.89186	0.3
69.47920	1.0
69.48304	0.7
77.99381	0.3
78.84947	0.3
159.40771	0.3
183.14305	0.4
185.04199	0.4
203.05249	4.6
229.11952	1.5
235.13692	0.3
247.13098	1.4
291.12024	17.4
292.12314	0.9
356.61505	0.4
382.03696	0.4
382.08737	0.3
382.46854	0.4
409.18274	1.8
445.85861	0.4
453.17233	100.0
454.17480	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	453.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27634	0.9
61.46323	0.9
69.30412	0.9
70.68572	1.2
70.68906	1.0
75.24591	0.8
79.05528	0.9
81.03466	1.0
81.07059	2.3
85.02947	1.4
92.71800	0.7
100.11254	1.8
100.53498	0.8
111.13740	0.8
135.11618	0.8
147.04387	1.0
181.12201	0.9
185.04266	1.3
203.05305	11.6
229.12091	1.7
247.13104	6.1
291.12048	14.6
305.06949	1.1
409.18365	20.0
421.02957	0.8
453.17261	100.0
454.17636	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	453.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97133	0.3
55.05497	0.9
65.09126	0.3
65.60813	0.2
69.07049	0.7
69.43475	1.2
79.05476	0.3
79.56332	0.2
81.07027	0.8
83.08588	0.4
88.30215	0.3
93.07054	0.4
95.08605	0.3
100.11261	1.8
105.07028	0.3
107.08516	0.3
111.04424	0.3
182.15446	0.8
185.04240	0.8
209.16451	0.6
210.14873	0.9
225.38046	0.3
241.98006	0.3
255.19537	0.6
256.19827	0.3
286.06180	0.3
291.15665	94.8
292.16043	4.3
298.07935	0.4
326.28162	0.3
435.33398	0.4
444.33585	0.3
453.20935	100.0
454.21289	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	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05500	2.8
57.03449	3.3
57.07077	23.2
62.06092	25.2
67.05502	4.6
69.07072	3.1
71.08630	13.2
81.07059	6.0
83.08619	4.1
85.09711	1.0
85.10181	7.9
89.06017	2.1
93.07102	0.6
95.08612	9.6
97.10161	2.2
98.22660	2.4
98.98471	6.8
102.96426	0.6
109.10161	3.3
123.11665	1.5
124.01569	1.0
142.02588	1.4
155.01048	5.1
166.28183	0.7
173.02039	0.9
188.02042	0.8
198.05305	1.3
216.06302	2.0
239.23581	0.7
282.27896	11.4
313.27356	100.0
314.27573	4.4
393.24023	7.1
436.28290	3.0
454.29050	1.5
455.22098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19405	0.7
55.05502	2.1
57.04880	0.7
57.07075	36.2
59.05005	0.7
69.07069	2.9
71.08632	27.7
73.06557	5.6
81.07038	0.9
83.08624	1.8
85.10181	19.4
87.04480	2.7
89.06031	100.0
95.08625	1.1
97.10146	3.6
98.23489	2.0
99.11734	3.9
107.07060	2.5
108.88669	0.8
113.13255	1.2
117.09148	2.2
127.27454	0.7
130.08646	2.0
130.93324	0.7
131.07031	1.2
133.08604	47.7
155.17958	4.1
177.11229	18.5
181.81813	0.7
195.12314	2.5
199.20576	3.7
221.13860	2.4
239.14948	2.8
240.23077	1.0
243.23221	10.1
283.17538	19.0
287.25830	3.7
287.57181	0.7
339.28250	1.2
349.65811	0.8
393.32019	2.3
437.34720	27.5
438.35284	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	455.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70551	0.5
69.11653	4.6
91.78128	0.6
94.93024	1.4
96.92843	0.9
98.23071	3.7
112.89622	14.5
134.87384	0.6
141.22275	0.7
181.95932	0.6
216.13382	0.7
234.26526	0.7
248.89691	0.8
250.89490	2.5
280.35403	0.7
455.11649	100.0
456.11853	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	455.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.8
65.67357	0.3
67.05486	0.6
69.03404	1.1
69.75670	0.9
71.04964	0.9
79.05474	1.1
81.03431	1.5
81.07003	0.3
83.08591	0.5
85.02926	1.3
89.03922	6.6
95.04961	0.6
97.02875	0.4
98.22792	0.6
100.11246	2.4
101.11568	0.9
107.04956	2.6
109.02870	0.8
117.03381	8.4
127.03903	0.7
131.07024	1.1
135.04420	17.9
136.04677	0.3
143.62558	0.3
145.02855	11.0
146.03204	0.5
163.03902	100.0
164.04247	2.4
181.04932	3.3
182.15459	0.3
183.15781	0.3
197.49127	0.3
201.03508	0.4
203.05309	0.4
210.14894	0.3
211.15298	0.5
221.78470	0.3
240.38879	0.3
264.54144	0.3
273.19153	0.3
277.17776	1.1
291.02426	0.3
293.17291	0.4
307.08124	2.6
325.09232	3.2
369.10565	0.3
436.33795	0.9
437.34409	0.3
440.84991	0.3
454.34671	3.3
455.22653	21.3
455.35245	0.9
456.22882	1.0
473.96414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.8
53.71667	0.5
55.01830	1.4
55.05506	4.9
57.03401	1.0
67.05502	17.9
67.05839	0.8
69.03435	2.7
69.07011	1.4
69.72769	1.5
70.06567	0.6
71.04944	1.0
79.05441	2.0
81.03410	11.4
81.07055	11.7
82.06544	0.8
83.04939	1.1
83.08618	3.4
85.02862	2.2
88.50854	0.4
91.05436	1.9
93.07041	4.5
95.04964	4.2
95.08605	7.7
97.02885	3.6
97.06467	0.9
98.22718	0.6
99.04399	1.7
99.08044	0.7
100.07591	1.0
100.10634	0.7
100.11247	8.7
101.11560	1.2
105.07020	0.6
107.08580	3.8
109.02874	16.3
109.06491	1.9
109.10152	41.1
110.06007	0.5
111.04416	3.1
112.07613	0.5
116.98549	0.5
117.06944	0.8
119.08602	2.9
119.09293	0.5
121.10131	2.8
123.08096	0.6
125.05937	1.8
127.03939	3.7
128.07076	1.7
128.94392	0.4
131.08511	0.8
135.08028	1.8
137.09610	99.8
138.08949	0.5
138.09929	1.6
140.07034	0.9
147.08011	0.5
149.09563	1.3
155.10670	4.6
163.07504	1.0
165.09108	100.0
166.09401	2.2
167.10649	1.1
167.79697	0.5
172.31491	0.5
182.15401	6.0
183.10159	7.4
183.15732	1.1
201.11197	6.8
206.90756	0.5
209.16498	1.9
210.14864	5.2
210.16451	0.5
211.15251	1.9
217.12291	0.8
227.17528	0.7
228.16005	1.0
233.11772	0.6
245.11745	0.8
251.28960	0.5
263.13181	0.7
265.11990	0.5
273.11417	1.6
291.12186	5.2
293.14154	0.8
293.17209	8.3
293.20630	0.6
309.13312	27.3
310.13910	1.0
327.14352	4.1
337.91751	0.6
433.21387	0.5
436.32175	1.8
437.32541	1.6
454.32712	8.6
455.22855	20.0
455.32822	8.4
456.23257	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	455.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01048	0.8
67.05485	1.5
69.03435	1.0
69.07088	1.1
70.59050	1.1
70.59355	0.7
71.05009	1.3
73.20431	0.6
79.05486	0.9
81.03426	1.0
81.07092	2.6
83.05003	1.0
85.02941	3.4
91.05526	1.0
93.07072	2.2
95.08635	2.7
97.02921	1.1
98.51375	0.7
99.03211	0.8
104.20882	0.8
105.07078	1.6
107.08657	1.4
109.02998	0.8
111.04471	1.2
114.70002	0.9
115.47103	0.7
119.08624	1.5
123.04509	1.0
123.08124	1.2
125.09721	1.1
127.03911	0.9
145.10167	1.1
147.11713	0.8
153.01814	1.5
159.11736	1.0
163.04074	1.8
167.03448	1.9
177.05489	0.8
203.05380	0.9
265.11969	1.9
275.20358	1.7
293.13904	2.9
293.17453	2.8
303.04932	1.0
384.10703	0.7
395.17816	0.8
454.35123	1.1
455.22839	100.0
456.23148	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2258
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
50.46611	0.4
53.58440	0.4
67.05507	0.4
69.40472	1.6
71.05006	0.7
85.02929	1.1
85.06605	0.4
85.87173	0.4
95.08627	0.6
98.22764	0.8
98.23425	0.8
102.32978	0.3
107.08591	0.4
112.17681	0.3
119.08627	0.5
153.01906	0.7
163.11523	0.4
164.10762	0.5
175.63547	0.3
177.76814	0.4
192.10255	0.7
203.05333	0.5
276.86716	0.4
293.13684	1.2
293.17316	1.5
454.34418	0.5
455.22656	100.0
456.22891	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	455.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01857	1.5
55.05508	8.9
57.03437	11.3
57.07056	1.1
59.05032	1.0
61.02921	2.1
67.98420	0.9
69.03436	4.1
69.07072	92.9
70.42379	1.1
71.04998	52.2
73.02921	3.6
75.04482	7.9
81.03436	3.3
83.04981	10.7
83.08620	1.4
85.02910	100.0
87.04468	2.5
97.02892	4.6
99.04437	1.1
109.02911	1.6
111.04455	10.8
111.11727	37.9
122.06066	3.4
123.04498	1.1
126.09148	2.7
127.03924	5.2
129.05479	27.8
129.12766	82.1
130.13103	1.3
135.04436	1.2
137.98511	1.0
145.04999	2.5
147.06534	19.8
147.13800	24.9
150.05521	2.2
157.86743	1.0
163.03943	3.0
163.05994	1.2
167.03424	10.0
168.06615	2.3
247.04620	1.0
255.08612	1.8
273.09677	2.7
277.07159	3.1
309.11847	2.6
314.68738	1.0
455.18521	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	456.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05518	1.4
56.17051	1.2
57.03441	2.2
59.04990	2.4
67.05522	2.2
69.03420	7.3
69.07066	51.4
70.59892	2.5
71.04992	34.0
73.02910	8.5
73.06551	1.7
79.05482	3.6
81.03417	5.8
81.07042	4.5
83.04971	2.0
85.02898	5.8
91.05486	6.8
93.07040	6.9
95.08595	7.7
97.02894	11.8
97.06531	21.9
99.04440	2.5
100.82445	1.3
105.07046	3.1
107.08593	27.5
108.04525	1.7
109.02872	5.0
109.06514	5.1
111.30460	1.3
115.07571	53.1
119.04929	12.2
121.10145	53.7
123.08044	2.9
123.11694	1.9
125.08714	2.4
125.09631	41.0
127.03922	7.5
131.08560	3.6
139.11179	49.2
140.11511	1.5
142.54611	1.2
145.04984	2.5
147.04404	57.5
149.09619	11.8
153.01810	6.5
154.02194	3.0
165.05470	1.7
167.10674	100.0
168.11055	2.2
173.06210	1.5
185.11722	22.7
192.53574	1.2
241.10739	6.7
259.11774	22.4
274.97513	2.5
291.46021	1.5
292.98566	2.4
293.13953	1.4
303.05139	3.2
304.05121	6.6
310.26907	1.6
311.14886	12.8
329.15948	6.8
456.06244	3.5
456.22763	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	456.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
55.01866	1.0
55.05515	3.9
57.03439	5.8
58.05034	0.8
60.58712	0.8
61.93174	0.8
67.05502	5.0
69.03427	13.9
69.07066	1.2
69.51785	3.5
71.05003	1.5
75.04480	9.5
77.03918	1.1
79.05492	19.6
81.03420	13.6
81.07053	9.1
83.08602	0.8
85.02904	7.6
91.05482	14.6
93.07045	98.4
94.07378	2.0
95.04961	8.9
95.08607	5.1
97.02885	8.1
97.06528	1.4
98.97595	1.4
99.04457	2.7
105.04518	1.3
105.07034	8.4
107.04939	2.3
107.08591	17.7
107.09260	1.4
109.02876	5.8
109.06512	1.0
109.10166	3.4
111.04471	1.9
111.08096	5.8
117.07023	1.4
119.08573	23.9
121.06548	1.6
121.10143	100.0
122.10502	1.7
123.04432	20.8
123.08071	2.4
123.11707	1.9
125.06010	0.9
125.09653	2.0
127.03910	5.5
129.05473	2.0
131.08574	4.1
133.07639	0.9
135.04408	2.0
135.08035	1.6
137.02350	1.6
137.05992	1.4
137.09612	2.1
139.11200	5.4
145.04970	2.8
145.10168	1.5
147.04420	3.0
149.05966	2.3
149.09610	15.7
159.11668	0.9
161.05972	5.6
163.07539	13.6
165.05531	1.0
165.09132	1.4
167.10678	32.2
175.07504	1.8
177.05411	1.0
177.09042	0.9
187.07671	0.9
189.09148	1.3
191.10628	1.1
201.09250	1.6
203.06990	7.1
203.10698	4.8
213.05569	1.3
231.13811	2.6
241.12260	5.0
242.41185	1.0
247.13400	1.0
255.13742	1.1
259.13309	20.1
265.14389	1.0
268.78281	0.9
271.09875	1.8
283.13135	1.1
293.13788	7.0
311.14899	14.0
312.15353	1.1
329.15787	2.4
339.16229	1.0
349.14297	2.0
367.15314	2.6
385.16510	3.3
403.17490	4.9
421.18427	1.6
438.20221	1.6
456.22772	5.6
457.24515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56070	0.5
55.05479	1.2
55.96540	0.5
57.03402	0.8
60.34985	0.5
67.05469	1.0
69.03396	1.6
69.56844	1.3
69.57241	1.1
71.04955	2.0
72.44083	0.5
73.02893	0.7
75.04462	0.6
78.88987	0.5
79.05460	1.9
81.03382	1.3
81.07021	1.0
83.04940	0.5
85.02859	1.8
91.05451	1.7
93.06445	0.6
93.07037	7.9
95.04941	1.0
95.08550	1.8
97.02853	1.5
97.06535	7.7
98.22691	0.5
98.97565	1.3
99.04425	1.2
105.07000	1.7
107.08547	2.0
109.02834	0.8
109.10126	2.8
116.98626	0.8
119.08586	2.8
121.10137	8.5
123.04425	0.7
123.08014	1.8
124.61260	0.6
127.03860	1.3
131.08516	1.5
137.09592	0.6
139.11168	4.3
145.04926	0.7
147.04445	0.7
149.09633	5.5
155.10623	1.3
167.10672	7.0
185.04169	0.7
185.11711	0.9
259.13391	0.9
267.85251	0.5
274.97388	1.1
276.16449	0.7
293.14014	1.6
293.17194	30.7
294.17569	70.4
295.17780	1.6
311.14899	1.6
329.15869	2.8
456.22852	100.0
457.23312	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	456.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01869	0.9
55.05506	1.4
57.03437	8.9
61.02927	1.1
63.83374	0.6
69.03432	2.9
71.02690	0.6
71.04995	70.2
72.05289	0.8
73.02905	2.5
73.38592	0.6
75.04482	5.6
76.08839	0.6
80.93189	0.7
81.03412	0.8
83.04518	1.1
83.04984	9.0
83.33012	0.7
85.02906	100.0
87.04468	1.8
91.03928	0.6
97.02882	3.9
98.23467	1.4
98.97591	1.4
99.04440	1.9
99.05107	0.7
101.06032	0.7
103.03961	1.0
109.02884	1.6
111.04456	5.7
116.98627	0.8
125.95531	0.7
127.03918	6.0
129.05479	45.1
145.04956	8.3
146.08215	0.9
147.06522	25.2
163.06056	3.5
163.07394	0.6
164.09190	7.1
237.07657	1.0
255.08708	2.6
273.09781	1.4
274.97580	1.1
309.11823	1.9
456.22769	1.1
457.23932	1.6
472.34937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.79691	0.4
56.91323	0.4
57.03429	0.3
65.03943	0.8
69.03429	1.0
69.87149	0.9
71.04987	1.0
75.92384	0.3
77.94965	0.4
81.03431	2.0
81.07066	0.4
85.02898	1.1
85.06554	0.3
89.02322	0.4
91.05488	6.6
97.02904	0.7
98.23337	0.8
109.02888	0.9
113.06023	0.7
119.04952	19.2
127.03891	0.6
131.07028	0.6
134.74632	0.4
140.17841	0.4
147.04420	100.0
148.04738	1.5
149.08142	0.5
150.07803	0.6
165.05493	3.1
184.64389	0.4
185.04231	0.5
220.03043	0.4
291.08682	1.9
295.15103	1.1
297.73590	0.4
309.09705	6.0
337.05234	0.5
457.11008	11.8
457.19638	3.7
457.24136	9.1
458.11343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
54.40333	0.4
67.05505	0.6
69.73978	1.8
71.04991	0.8
79.05508	0.8
81.07065	0.6
85.02895	0.9
91.05482	1.9
94.06559	1.2
95.08624	0.8
97.02942	0.6
105.07052	0.7
107.08616	0.8
109.02815	0.5
119.04949	4.0
121.10185	1.0
122.06049	0.6
136.07584	1.0
137.78955	0.5
147.04396	16.3
165.05386	0.5
181.01364	1.5
203.05264	3.3
228.77354	0.5
242.08208	0.5
242.18126	0.7
260.19193	0.5
263.14035	0.8
270.07556	1.5
277.14111	1.6
277.17770	3.1
279.19229	0.6
288.08655	1.8
295.15250	1.3
298.07135	1.2
309.09616	0.9
316.08066	0.7
326.54501	0.5
331.08380	0.5
439.14847	1.0
439.23434	0.6
457.09808	7.8
457.24432	100.0
458.24829	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2416
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
55.95928	0.3
67.05531	0.4
73.70338	0.2
81.03429	0.3
81.07070	0.6
85.02901	0.4
91.05519	0.4
93.07086	0.3
95.05032	0.3
98.22992	0.5
110.00175	0.3
119.04954	0.4
121.10202	0.4
123.04424	1.8
131.05045	0.3
138.44585	0.3
139.03961	0.9
147.04366	1.3
151.03891	0.3
155.03137	0.5
167.03462	1.0
185.04283	0.6
201.03729	2.4
295.18878	0.8
325.03137	2.6
357.19016	0.9
439.23270	0.6
457.07449	6.0
457.24286	100.0
458.07916	0.5
458.24561	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2411
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
67.05499	0.5
69.03419	0.4
69.44255	1.6
73.89809	0.3
81.07054	0.6
85.02920	0.6
91.05472	0.5
93.07055	0.4
95.08632	0.4
107.08630	0.5
119.04987	0.4
123.04443	1.6
130.70560	0.4
139.03920	0.8
147.04462	1.5
148.04797	0.4
149.06047	0.3
155.03131	1.6
157.06551	0.9
167.03452	0.7
185.04451	0.7
185.06035	1.7
201.03693	2.0
203.05293	0.6
273.73801	0.3
277.18005	0.4
295.09811	1.1
295.15317	0.7
295.18945	1.1
296.09961	0.3
324.02527	1.3
325.03137	6.1
356.77509	0.3
357.19150	0.9
359.19809	0.5
425.17935	0.7
448.93793	0.3
457.07492	17.6
457.24268	100.0
458.07834	1.2
458.24652	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72092	1.0
55.05503	2.0
57.07066	3.6
62.77778	1.3
63.38985	1.2
64.51234	1.1
67.05495	1.4
69.07071	8.2
71.08642	2.1
79.05492	6.9
81.07050	2.7
85.10129	1.1
87.02692	2.9
88.79903	1.1
91.05488	4.3
93.07041	1.4
95.04981	2.3
95.08603	2.0
103.05476	4.5
105.07034	34.9
106.07816	3.0
107.08595	2.7
109.10117	2.8
119.08566	1.8
121.06469	1.2
133.06497	28.2
133.96977	1.3
134.07281	17.9
135.08055	55.0
136.08330	1.2
142.25391	1.4
143.08841	2.0
151.07521	14.0
159.08040	1.2
164.71614	1.4
165.03706	26.0
166.03957	1.6
167.05307	5.6
179.05278	7.9
209.25583	1.3
277.16211	20.1
295.17252	100.0
296.17609	4.8
440.92673	1.2
457.22919	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	458.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09257	0.4
53.65617	0.3
69.03430	0.5
69.07072	0.4
70.70679	0.4
71.04993	0.5
71.34175	0.5
79.05471	0.5
80.02770	0.4
85.02905	0.7
85.88400	0.4
93.07055	1.6
95.04995	0.4
98.97578	1.2
103.05471	5.8
107.04949	1.6
113.05999	1.0
116.98588	0.4
119.01762	0.5
120.08105	100.0
121.08446	1.2
128.02316	0.9
131.04919	3.3
149.05980	1.8
149.08084	0.4
166.08638	53.6
167.08974	1.0
175.04384	1.2
182.03348	0.7
184.04909	0.5
191.03889	0.9
229.03845	0.8
231.07034	0.7
247.06580	1.9
312.09637	6.3
312.59653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05501	0.8
56.92092	0.5
63.22723	0.4
65.03954	2.4
68.02679	0.4
69.03410	1.9
70.50809	0.9
71.04977	1.1
72.95312	0.4
81.03424	5.7
83.01367	0.4
83.04985	0.8
85.02905	2.1
89.06038	2.9
96.02079	0.5
97.02866	2.2
99.04453	0.5
107.01293	1.2
109.02869	3.5
111.04433	1.5
112.52219	0.4
115.00645	0.4
124.01553	0.8
125.02338	0.6
126.03132	4.1
127.03900	1.7
133.08624	1.7
139.03888	1.1
141.05440	3.7
145.04924	0.6
152.01054	1.9
157.04956	7.1
167.03386	100.0
168.03719	1.7
178.04974	0.5
185.04446	12.9
201.03654	0.4
215.37259	0.4
217.91133	0.4
219.36501	0.4
243.50964	0.4
297.16681	1.2
311.07678	5.4
329.08582	5.6
425.17706	2.0
447.71228	0.4
459.16406	0.8
459.21600	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	459.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68877	0.7
69.49637	2.9
71.04983	1.1
85.02901	1.9
113.06088	0.9
138.72118	0.6
151.07556	0.6
167.03392	2.4
201.03708	10.5
311.07584	1.3
327.14182	7.8
331.17126	0.7
425.17859	7.1
425.99820	0.7
427.15610	1.7
459.16284	100.0
460.16516	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01859	2.1
55.05511	41.5
55.47049	1.8
57.07080	73.2
57.24342	2.0
59.04998	4.6
59.81066	2.1
67.05507	18.6
69.07074	63.3
69.36877	12.1
71.04997	5.2
71.08634	50.3
79.05485	18.6
81.07058	85.5
83.04990	4.7
83.08627	40.7
85.10186	26.3
91.05469	11.0
93.07050	53.9
95.04955	5.9
95.08611	67.2
97.06541	3.8
97.10172	27.9
98.22764	3.3
99.04458	14.3
99.11751	4.1
105.07047	15.9
107.08598	55.0
109.06519	10.6
109.10160	39.5
111.04456	4.3
111.08073	1.9
111.11726	11.7
113.13242	3.3
119.08596	20.6
120.96657	3.2
121.06538	2.5
121.10146	80.4
121.10985	4.5
123.08074	8.1
123.11720	19.5
125.05996	100.0
125.09638	2.3
125.13274	5.2
127.03916	40.0
127.14877	4.0
128.06241	2.6
131.08568	3.9
133.06500	3.8
133.10112	11.7
135.08083	3.7
135.11705	22.0
137.05972	33.9
137.09624	5.3
137.13309	5.7
142.07788	2.4
143.08647	4.2
145.10141	8.9
147.11708	7.4
147.23569	1.9
149.06055	3.4
149.09650	4.3
149.13268	44.8
151.07564	15.2
151.11108	3.3
151.14828	5.9
157.10139	7.8
158.10851	2.2
159.11731	10.1
159.43884	2.0
161.09628	4.2
161.13283	6.9
163.14859	15.2
165.09149	8.5
165.16441	4.9
167.07051	16.5
171.08090	3.5
171.11717	7.2
173.09647	14.4
175.11214	8.8
175.14865	3.9
177.09158	7.1
177.16383	2.4
179.07008	2.8
179.17932	4.0
183.21094	2.2
185.09631	14.7
185.13197	3.0
187.11227	7.6
189.09158	2.9
189.16333	2.7
191.10773	4.3
191.17986	3.8
193.08630	4.4
199.11247	4.7
199.14589	2.1
201.12784	2.4
203.10719	14.3
205.12215	6.5
213.12741	3.4
215.10649	3.6
215.14491	2.7
217.12260	7.9
219.21097	4.0
227.14317	3.4
229.12195	4.0
241.15894	2.6
245.15466	2.5
259.13318	3.8
269.15637	2.4
275.27344	56.1
277.25284	6.8
283.16965	2.2
315.30347	10.7
333.31500	17.4
339.29056	4.1
381.31644	8.8
395.33142	8.8
399.32690	11.7
423.32660	6.8
441.33728	17.9
459.24722	5.1
459.35092	28.1
459.44537	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	461.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
55.05504	0.2
61.95411	0.2
65.03937	1.6
69.03442	0.6
69.25989	0.9
74.24756	0.2
79.01864	0.7
79.05495	0.2
81.03417	0.6
83.18966	0.2
91.05489	12.0
92.05807	0.3
93.07007	0.2
95.04977	0.3
95.08636	0.2
97.02907	0.5
98.22704	0.4
98.23343	0.4
100.11321	0.2
107.01317	0.3
107.08591	0.2
109.10112	0.3
119.04953	26.8
120.05296	0.7
121.10136	0.3
125.02371	0.4
127.03922	0.5
133.10124	0.2
133.41429	0.2
143.03485	0.9
146.82848	0.2
147.04419	100.0
148.04768	2.1
149.09604	0.3
153.01846	11.5
153.02948	0.7
165.05458	0.7
165.09216	0.3
166.27122	0.2
181.67853	0.2
188.72232	0.2
291.08673	0.6
461.17505	0.7
461.28622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1784
Annotation	ABACOPTERIN C
Peak:m/z	Relative Intensity
54.67787	0.2
81.07051	0.6
87.65622	0.2
91.05450	0.5
93.07041	0.4
95.08621	0.2
105.07015	0.2
119.04964	0.7
121.10107	0.3
123.11728	0.2
147.04407	2.4
151.07526	0.4
153.01874	0.5
165.09099	1.3
184.58707	0.2
298.53961	0.2
351.14047	0.3
461.17804	100.0
462.18216	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	461.2364
Annotation	Ala Lys Asn Glu
Peak:m/z	Relative Intensity
55.05513	0.4
59.73775	0.2
64.42943	0.2
67.05506	0.7
69.07090	0.2
71.05005	0.2
73.76575	0.2
79.05462	0.9
81.03447	0.2
81.07072	1.0
82.98803	0.2
83.05006	0.3
83.08625	0.3
85.02892	0.3
89.75937	0.2
91.05489	0.6
93.07038	0.7
95.04979	0.4
95.08614	0.5
97.02874	0.3
97.06509	0.3
102.84673	0.2
105.07044	0.9
107.08607	0.3
109.06561	0.3
109.10153	0.3
119.08594	0.4
121.10176	0.3
131.08589	0.3
133.10164	0.3
137.09622	0.3
143.08612	0.3
145.10054	0.2
147.11803	0.3
157.10123	0.2
159.11748	0.3
163.11191	0.4
165.09174	0.4
171.11678	0.4
180.64491	0.2
233.11707	0.3
281.17453	1.4
315.17755	0.9
359.02957	0.2
369.23874	0.2
461.23608	100.0
462.23993	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	461.2898
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03946	3.9
55.01867	3.9
55.05514	16.4
57.03444	5.8
65.03944	3.0
65.69888	0.9
67.05503	52.1
69.03414	2.5
69.07067	16.1
70.50138	2.6
71.01317	1.4
71.04990	4.1
77.03922	1.6
79.05490	40.8
81.03417	62.7
81.07055	51.5
83.04981	6.6
83.08614	21.3
85.02946	1.5
85.06542	3.5
91.05479	37.0
93.07043	37.3
95.04971	28.7
95.08592	15.6
97.02924	1.8
97.06516	7.6
97.10167	6.3
98.23367	1.2
99.08100	3.4
103.05477	1.5
105.04513	2.4
105.07028	23.3
107.04975	9.7
107.08594	20.3
109.06522	4.8
109.10157	6.6
111.04417	1.3
111.08084	8.7
115.05472	1.4
117.06998	10.4
119.04957	1.3
119.08576	15.1
121.06509	7.3
121.10140	14.6
123.08075	2.3
123.11718	1.6
125.09586	5.5
128.06210	2.6
129.07010	13.3
131.04913	2.1
131.08575	15.1
133.06490	6.4
133.10130	8.8
134.93158	1.1
135.08057	3.8
135.11690	4.3
141.06993	2.3
142.07814	2.4
143.08546	4.6
145.06485	5.1
145.10147	5.0
147.08031	6.1
147.11707	6.2
149.09628	5.8
149.13246	15.9
155.08582	3.0
157.06497	1.7
157.10103	7.7
159.08070	1.8
159.11676	9.0
161.09567	2.3
163.11191	1.5
165.09131	2.2
169.10080	1.8
171.08113	1.4
171.11636	1.4
173.13292	1.4
175.11200	7.5
177.12733	4.7
181.10086	1.5
185.13257	1.7
189.11183	1.9
193.12224	24.5
195.11955	1.3
195.13727	6.2
199.14848	2.6
201.12820	1.6
203.14247	1.3
205.12181	1.2
213.14778	1.3
217.15919	3.1
225.16722	1.0
227.12759	2.2
231.13887	1.4
249.14850	4.2
257.15472	1.4
273.18552	1.3
275.16382	1.5
278.30075	1.4
341.24747	1.9
351.23199	3.7
369.24228	11.2
387.25345	8.2
401.45663	1.1
405.26401	1.7
417.26285	2.5
425.26440	1.5
443.27884	15.3
461.28949	100.0
462.29251	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01870	7.7
55.05510	32.2
57.03435	8.2
57.64242	1.9
61.68758	1.7
65.03931	4.7
67.05504	70.3
69.03436	5.4
69.07072	20.8
70.50645	3.4
71.04994	4.3
79.05493	58.8
81.03416	13.8
81.07060	59.8
83.04968	11.5
83.08607	20.1
85.06547	5.0
85.58942	1.9
86.53045	1.8
91.05473	65.9
93.07041	52.5
93.07602	3.5
95.04964	21.1
95.08605	35.2
97.06533	11.5
97.10152	11.2
99.08065	5.0
103.05486	3.8
105.04528	4.6
105.07026	56.3
107.04964	12.1
107.08597	24.3
109.06515	8.9
109.10153	12.7
111.08088	6.5
115.05449	4.9
117.07011	33.4
119.04948	3.0
119.08572	30.3
121.06521	10.1
121.10130	13.5
123.08063	6.3
123.11700	3.5
125.09637	8.1
128.06219	9.6
129.06996	35.9
130.07770	2.5
131.04942	2.7
131.08563	50.7
131.09563	2.5
133.06500	6.5
133.10127	18.3
135.08075	7.2
135.11711	9.2
141.06975	16.0
142.07794	4.9
143.08554	32.8
145.06447	12.3
145.10118	24.7
147.08083	8.2
147.11722	7.2
149.09610	7.8
149.13295	5.9
153.06987	3.7
154.07803	2.5
155.08566	22.6
157.06519	3.2
157.10100	18.8
159.08055	6.0
159.11690	12.1
161.09651	4.5
161.13304	2.6
163.11198	4.1
167.08562	6.3
168.73367	1.9
169.10126	14.3
171.08118	5.0
171.11691	11.9
173.09653	4.6
173.13332	4.0
175.11197	8.0
177.12746	5.3
179.08572	3.0
181.10095	11.5
183.11681	12.5
185.09573	3.2
185.13243	7.7
187.11223	4.3
187.14780	3.3
189.11215	4.0
193.10245	4.0
193.12238	6.8
195.11691	7.4
195.13759	2.2
197.09639	2.6
197.13251	8.0
199.11195	2.4
199.14867	6.6
201.12798	3.8
203.14351	2.5
206.10793	2.1
207.11731	3.3
207.13748	2.9
209.13326	9.7
211.11298	3.0
211.14783	6.3
213.12819	5.7
215.14374	9.1
217.15865	4.7
219.11739	2.3
219.13861	2.6
221.13274	6.3
223.14806	6.9
225.12639	3.1
227.12671	4.0
231.13878	2.3
235.14902	4.2
239.14302	5.4
241.15932	3.4
253.15862	3.2
257.15472	6.0
259.16989	2.2
271.16956	3.8
275.16544	3.5
323.23679	6.2
333.22073	10.6
341.24805	7.6
351.23154	33.4
352.03671	2.5
369.24176	39.0
370.24622	2.4
387.25153	14.3
397.15067	2.1
415.28329	3.2
425.27054	3.8
443.27893	64.1
444.28329	5.7
459.21204	2.4
460.41940	3.2
461.28952	100.0
461.41656	7.0
462.29343	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	461.2897
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03943	4.1
55.01868	5.3
55.05513	22.7
57.03440	4.7
57.07057	1.4
65.03947	4.1
67.05505	48.0
69.03424	3.6
69.07066	14.0
70.50391	1.7
71.04985	4.5
77.03935	1.1
79.05498	44.7
81.03419	46.4
81.07056	57.0
83.04975	8.5
83.08623	18.5
85.06543	3.7
91.05480	40.0
93.06458	2.5
93.07042	43.8
95.04969	30.0
95.05421	0.8
95.08611	20.2
97.02910	2.5
97.06525	6.7
97.10157	7.9
99.08097	2.2
103.05506	1.7
105.04503	1.2
105.07036	23.7
107.04951	13.0
107.08585	20.3
109.06522	7.3
109.10136	6.4
111.08094	7.5
115.05466	3.1
116.06216	2.4
117.07012	13.8
119.04975	2.0
119.08581	17.7
121.06518	11.3
121.10152	11.8
123.08071	3.3
123.11702	1.8
125.09629	7.2
128.06256	4.2
129.07019	12.8
131.04942	2.2
131.08563	21.1
133.01137	1.2
133.06477	6.2
133.10123	11.1
135.08063	5.0
135.11702	5.3
137.09636	2.0
141.07022	4.1
142.07770	2.9
143.08519	6.5
145.06496	10.5
145.10161	6.8
147.08058	6.3
147.11714	6.2
149.09610	6.0
149.13261	16.5
151.11159	1.5
155.08582	3.7
157.10138	10.4
159.08051	3.6
159.11707	9.2
161.09631	1.7
163.11221	2.0
165.09149	3.8
165.12817	1.5
169.10191	2.7
171.08109	1.5
171.11674	2.5
173.09564	2.6
173.13336	1.4
175.11177	5.5
177.12790	5.1
178.64038	1.1
181.10010	1.7
183.11711	2.6
185.13150	1.4
187.11142	1.8
187.14713	1.3
189.11238	2.8
193.12206	15.3
195.11815	1.9
195.13828	5.4
197.13284	1.8
199.15016	2.1
201.12698	1.8
207.06543	1.5
213.12840	1.3
215.14734	1.3
217.15959	4.4
219.13881	3.2
227.12914	1.7
231.13794	2.2
237.07660	2.2
239.14238	1.6
249.14885	3.0
275.16403	2.0
341.24866	1.9
343.22635	1.9
351.23309	7.4
354.94919	1.3
369.24185	16.8
387.25348	8.7
417.26404	2.4
425.26816	3.3
430.22229	1.3
443.27908	17.9
461.28940	100.0
462.29333	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	461.3628
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03955	2.9
55.01899	3.2
55.05517	23.8
57.07077	19.1
63.06020	2.3
67.05505	26.0
68.71365	2.3
69.01637	2.6
69.07066	43.5
69.99734	2.5
70.00805	2.9
70.01165	7.7
71.04992	16.5
71.08643	13.6
79.05074	3.0
79.05469	12.3
81.07054	67.0
83.04991	3.3
83.08626	27.8
85.06563	3.0
85.10176	5.6
91.05488	6.3
93.07043	17.7
95.05014	2.8
95.08612	49.9
97.06525	2.7
97.10162	19.6
99.04435	5.7
105.07034	7.1
107.08600	14.7
109.06532	10.1
109.10165	34.3
111.08077	3.6
111.11710	14.5
119.08599	11.4
121.06543	3.4
121.10150	7.8
123.08065	3.7
123.11700	13.4
124.05200	2.5
125.05998	34.2
125.13289	5.5
127.03940	17.3
130.34377	2.2
131.08574	7.1
133.10124	6.8
135.08095	5.5
135.11708	6.9
137.05983	39.4
137.09622	9.9
137.13295	8.1
139.07538	20.4
143.08559	2.5
145.10139	3.2
145.62897	2.7
147.11673	3.5
149.05995	4.4
149.09645	13.8
149.13240	6.1
151.07616	14.9
152.08136	3.1
153.09064	2.5
155.07042	3.0
157.10182	4.0
159.11711	4.6
161.13295	4.1
163.11220	7.9
163.14841	3.7
164.08347	7.6
165.05482	7.4
165.09122	100.0
166.09454	2.4
167.07043	26.4
175.11261	3.7
177.09109	38.6
177.12744	3.6
177.16347	3.2
179.07048	8.8
181.08627	3.0
187.11153	4.3
189.12755	4.2
191.10706	9.6
193.08650	5.8
193.12311	3.1
195.10179	5.1
201.12807	2.9
203.10649	4.5
205.12247	16.1
219.13846	5.2
221.11806	4.4
229.03664	2.8
237.71193	2.8
263.27390	3.1
305.28375	3.0
317.31842	2.7
383.32977	3.7
397.34610	10.7
401.34027	4.7
415.36026	3.1
425.34427	11.7
426.34772	7.1
443.35202	27.0
444.35947	23.7
444.85458	2.9
461.35840	6.1
462.37018	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	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03937	1.0
69.03426	3.0
69.65755	2.1
71.04993	1.4
79.01852	2.2
81.03417	5.8
85.02899	2.2
97.02888	4.8
98.22662	1.1
107.01272	1.2
109.02887	4.2
119.85582	0.6
125.02351	2.9
127.03931	6.9
131.06975	1.1
140.56071	0.7
143.03416	4.4
145.04974	1.2
153.01830	100.0
153.02878	4.1
154.02144	1.0
154.08638	0.9
156.69490	0.7
171.02898	14.0
197.91803	0.6
279.04962	0.9
297.06100	7.2
300.94974	0.6
315.07104	20.2
316.07309	0.9
433.54044	0.7
475.50027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
60.04539	11.3
64.33203	0.7
67.05498	0.9
67.39289	0.7
69.03423	2.0
70.44038	1.2
71.05019	2.0
71.89540	0.7
73.04772	1.3
73.07178	0.7
75.66910	0.6
79.05508	4.7
81.03442	3.6
85.02911	3.3
91.05417	1.0
91.05877	0.9
95.04983	1.2
97.02908	3.7
98.23051	1.3
103.05479	17.3
105.07060	2.1
106.06567	65.2
107.04970	12.1
107.06923	1.0
107.12847	0.7
108.29751	0.8
109.02888	13.8
111.04448	0.8
119.08576	1.0
127.03939	1.7
129.05492	1.3
131.04945	100.0
132.05304	2.4
148.07588	44.5
149.06032	1.4
153.01831	1.4
160.35828	0.7
161.05974	6.8
167.05579	1.2
189.35632	0.7
190.08646	52.9
191.09082	1.3
208.09697	5.9
225.04340	1.5
257.08136	8.4
268.26944	0.9
275.09125	2.5
293.10095	1.0
316.11859	1.1
359.02936	1.7
429.08469	1.0
461.31107	2.7
462.31345	4.6
463.15726	1.8
463.32449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01877	2.2
55.05508	1.8
57.03435	8.0
61.02917	1.3
63.63834	0.8
67.05469	0.8
69.03426	3.9
70.84781	1.4
71.04993	59.9
72.99776	0.9
73.02919	2.8
73.04747	1.7
75.04483	4.6
79.01860	3.6
79.05515	1.1
81.03430	2.0
83.04981	8.6
85.02905	100.0
87.04494	2.2
87.40396	0.8
91.05422	2.2
91.05894	1.6
93.07056	1.2
97.02883	5.7
99.04445	1.6
103.86551	0.9
105.07011	1.3
107.01322	1.2
107.04979	0.8
109.02868	1.4
109.10182	1.2
111.04432	4.7
119.04935	5.8
121.06597	0.8
122.09654	0.9
125.02345	2.0
127.03899	5.2
129.05478	44.8
131.04945	1.4
135.08081	0.8
136.07591	2.6
137.09622	0.9
143.03368	3.9
145.04980	4.3
146.08115	1.4
147.04509	1.5
147.06519	29.1
150.09142	1.4
151.03983	0.9
151.07591	1.0
152.07236	0.8
153.01828	58.2
153.02881	2.6
159.04434	2.1
161.05977	1.3
162.03108	1.4
163.06027	2.3
164.09207	7.3
165.05406	0.9
165.07661	1.2
167.03436	2.3
167.05611	2.0
175.03940	1.5
177.05507	1.6
178.02580	0.8
179.03369	1.2
181.04979	3.2
187.03926	1.1
188.03767	3.8
191.03386	3.1
192.04173	1.4
193.04950	3.1
195.02888	4.3
197.04510	1.9
205.04968	3.4
207.06596	1.3
209.04462	3.3
213.11536	0.8
215.03386	1.4
217.15971	0.8
219.02882	1.1
219.06523	2.5
221.04486	5.1
223.06032	1.8
225.07486	0.8
232.03737	1.8
233.04474	2.9
235.06035	1.0
237.04053	1.5
237.07495	1.8
243.02933	1.2
247.05951	4.6
251.05446	4.4
255.08678	3.4
260.03171	3.0
263.05420	3.8
264.12363	2.4
273.09735	2.0
275.05493	17.1
281.06442	1.0
282.13382	1.9
293.03448	1.6
293.06400	7.1
300.14417	2.8
309.11755	2.7
311.07590	2.8
314.07150	1.1
320.80338	0.9
329.08643	6.4
337.94333	0.9
359.02850	1.9
429.08917	1.5
463.08600	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	462.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.0
57.07095	1.3
67.05505	3.5
69.07075	8.3
71.08624	1.1
79.05497	1.6
81.07064	5.6
83.04998	1.0
83.08623	3.7
86.58622	0.8
86.71420	0.8
91.05484	1.3
93.07034	2.1
95.08610	6.3
97.10143	1.8
99.42409	0.7
105.07053	1.6
107.08602	2.0
109.10152	5.1
111.11737	1.1
119.08596	1.6
121.06509	2.5
123.11705	1.8
135.08023	0.9
136.08862	3.7
137.09616	6.9
147.08035	0.8
149.09679	2.3
149.13260	1.0
151.07556	5.0
153.28592	0.7
157.10161	1.0
159.07986	1.2
161.05980	2.4
161.09702	1.5
164.08327	8.8
165.09120	100.0
166.09474	2.8
173.09575	1.3
174.06850	1.0
175.07535	8.0
175.11183	1.2
176.08324	4.6
177.09116	4.6
179.10701	1.1
187.11285	0.9
188.08379	2.8
189.09093	8.5
190.09802	1.8
191.10689	4.3
201.09116	2.0
201.12776	0.8
202.09927	2.7
203.10687	16.5
204.11429	3.1
205.12227	6.6
215.10672	2.0
216.11362	0.9
217.12268	9.1
219.13806	1.2
231.13866	1.0
245.15393	0.8
349.31674	0.8
350.32321	0.8
363.93573	0.8
383.29654	1.5
426.34943	69.2
427.35635	16.8
428.35730	0.8
444.36041	19.3
445.36548	1.4
462.36777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	9.3
57.03444	4.0
69.03437	3.8
70.45296	5.9
71.04999	18.8
73.04757	5.0
75.50640	2.5
79.01864	5.4
81.03426	4.3
84.96028	3.0
85.02914	34.1
91.05807	9.5
95.04980	4.4
97.02915	7.6
97.06525	2.4
98.97601	12.8
109.02932	4.5
110.97587	5.9
111.04440	2.6
113.06053	2.5
116.98641	4.9
127.03974	10.7
128.98645	7.8
129.05504	10.6
143.03389	3.7
145.04944	6.2
146.99779	2.9
147.06580	6.5
152.30992	2.2
153.01846	100.0
153.03070	5.8
154.02193	17.8
154.08643	2.7
156.14055	2.3
166.78917	2.5
167.03462	4.2
167.05725	2.9
170.99800	4.0
171.02933	10.9
172.03358	2.9
179.23009	2.3
180.98099	3.1
189.00713	3.5
190.96614	2.7
198.99196	6.8
205.04716	28.1
208.97644	11.5
215.47368	2.2
219.01845	8.3
226.98659	30.9
237.02866	12.2
244.99742	5.7
266.07660	2.8
283.11475	3.3
301.12622	10.1
315.07169	14.8
316.07541	4.0
353.01865	12.4
360.02985	4.0
371.03079	4.3
385.69803	2.6
430.08829	3.7
463.06174	96.1
463.16299	62.1
464.07190	3.9
464.15720	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60362	6.3
54.92956	5.9
71.16590	9.8
84.47721	5.6
86.66219	6.5
91.63277	6.6
94.98956	7.7
103.13320	7.7
122.10063	5.7
153.01819	100.0
171.02844	13.0
212.34673	6.9
315.07101	16.0
386.85620	6.9
392.49435	6.9
435.63052	7.2
463.06198	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
55.05497	0.8
57.03428	0.5
57.08408	0.4
58.90039	0.5
65.91190	0.4
67.05499	2.1
69.03428	0.5
69.07030	0.5
70.96736	0.6
71.04988	1.2
79.05492	1.2
81.07040	3.8
83.04979	1.2
83.08617	1.1
85.02901	1.4
85.06528	0.5
91.05433	1.1
93.07056	2.9
94.72379	0.5
95.04984	0.7
95.08614	2.4
95.62504	0.5
97.06550	1.4
105.07040	1.8
105.11510	0.5
107.04899	0.5
107.08588	2.3
107.83715	0.5
109.06511	0.5
109.10165	2.0
111.02193	0.5
111.08079	2.0
113.09647	2.7
118.97241	0.4
119.08582	1.2
121.10116	1.3
123.08036	0.5
131.08632	0.4
133.10104	1.2
135.07986	0.7
137.09514	0.5
139.07544	2.1
147.04414	0.7
147.11670	0.9
149.13248	1.8
153.01807	4.0
157.08621	1.6
166.35283	0.5
167.03404	1.6
195.02736	0.6
203.17926	0.6
210.14879	0.7
211.04826	0.5
223.16896	0.5
239.20093	0.6
247.16971	1.3
258.05225	13.5
265.17938	1.5
286.04697	35.5
287.05042	1.4
301.07059	100.0
302.07327	2.9
463.14297	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	463.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00837	0.3
69.03434	2.6
69.32272	1.7
71.01333	0.4
71.04985	2.7
79.01853	2.2
81.03406	4.7
85.02892	4.2
89.02404	1.1
97.02885	2.3
101.95900	0.3
107.01302	2.1
109.02867	4.0
113.05998	2.5
116.37608	0.4
125.02354	3.0
127.03912	7.9
131.07079	1.8
141.38658	0.4
143.03392	4.5
149.08076	1.3
153.01822	100.0
154.02100	1.9
162.91734	0.4
169.26526	0.4
171.02887	11.5
207.39064	0.4
248.34229	0.4
266.14764	0.4
297.06000	2.7
315.07092	15.1
316.07306	0.5
327.44113	0.4
357.36334	0.4
393.42319	0.4
403.72440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
54.77538	0.6
55.01870	2.8
55.05257	1.1
55.05513	18.1
57.03442	7.0
57.07067	3.1
65.03938	2.6
67.05504	72.3
68.05826	1.0
69.03394	0.7
69.07063	27.4
69.66451	1.5
69.66837	2.0
71.01323	0.7
71.04996	4.5
73.02892	0.7
77.03947	1.9
79.05492	50.1
80.05792	0.8
81.03425	2.7
81.07054	100.0
82.07385	2.5
82.66327	0.7
83.04980	8.2
83.08621	18.4
85.06538	4.9
86.85034	0.7
91.05476	28.6
92.05823	0.7
93.07042	68.7
93.74574	0.8
95.04423	0.9
95.04972	10.2
95.08602	23.7
97.06532	12.7
97.10155	1.6
98.23476	1.1
99.04451	0.8
99.08096	4.0
105.04510	2.7
105.07021	9.8
107.04990	1.0
107.08590	35.3
108.08949	1.0
109.06513	2.8
109.10139	4.3
111.08087	8.5
111.11712	1.4
113.06002	1.4
113.09682	0.8
117.07018	9.7
119.06082	0.7
119.08577	3.1
121.06541	2.5
121.10137	22.2
123.11695	3.3
127.07542	0.9
129.07024	0.9
131.08569	10.6
133.10129	10.6
135.08047	1.8
135.11685	10.7
139.11186	2.2
146.47084	0.7
147.11707	1.9
149.09691	1.2
149.13251	48.6
150.13557	1.7
151.11176	1.1
157.10146	1.0
159.11700	17.6
165.09120	0.8
167.14354	1.8
172.12227	0.7
177.12747	13.7
195.13800	20.9
196.66899	0.8
213.14859	6.3
226.07709	0.7
243.19273	0.7
251.16461	1.7
263.03433	0.8
269.17386	0.8
287.34109	0.7
445.29416	1.8
463.30524	95.3
464.30826	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	463.3055
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02369	0.6
53.03943	2.5
53.27584	0.3
54.61137	0.4
55.01870	2.7
55.05511	17.3
56.32407	0.4
56.72410	0.4
57.03187	0.6
57.03442	7.3
57.07078	2.1
61.17929	0.3
65.03952	3.0
67.05505	79.2
67.62573	0.4
68.05840	0.9
69.03445	0.7
69.07068	28.8
69.73329	1.5
70.07413	0.5
71.01366	0.7
71.04992	5.3
71.08626	0.8
73.02917	1.2
73.06544	0.5
77.03920	1.3
79.05495	52.5
80.05853	0.6
81.03423	3.0
81.07056	100.0
82.07394	1.5
83.04986	7.8
83.08620	17.5
85.06544	5.9
87.04473	0.4
91.05482	27.0
93.07044	73.3
94.07369	1.2
95.04972	10.5
95.08606	24.5
97.06530	13.6
97.10171	1.3
98.22778	0.6
99.04456	0.6
99.08084	4.9
105.04517	3.3
105.07035	9.7
107.04958	1.1
107.08593	38.2
108.08876	0.4
109.06508	3.5
109.10152	3.9
111.04443	0.4
111.08088	9.5
111.11750	1.0
113.05996	1.1
113.09644	1.7
115.05375	0.5
117.07015	10.0
119.08565	3.4
121.06487	2.0
121.10143	22.4
123.08068	0.8
123.11684	2.4
125.06024	0.4
125.09647	1.2
125.13186	0.4
127.07545	0.8
129.07008	0.9
131.08569	11.9
133.10127	9.3
135.08061	2.1
135.11690	12.4
139.11192	2.0
144.09329	0.8
145.10127	0.6
147.11711	1.8
149.09801	0.8
149.13255	49.8
150.13625	1.2
151.11197	1.0
153.09087	0.5
157.10136	0.6
159.11685	20.4
160.11984	0.8
165.12708	0.4
167.14331	1.4
171.11752	0.4
177.12743	10.6
189.23630	0.5
195.13800	19.2
196.14134	0.5
213.14847	3.5
227.12704	0.7
241.43738	0.5
251.16444	1.7
269.17563	0.7
372.84045	0.4
378.20856	0.4
445.29300	0.8
463.30545	89.8
464.30914	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01880	2.5
55.05513	18.0
57.03220	0.7
57.03441	6.6
57.07076	3.2
65.03931	3.1
67.05504	74.6
68.05846	0.7
69.07066	25.9
69.76013	1.6
71.01355	0.8
71.04996	6.4
71.08630	1.0
73.02918	0.7
77.03917	1.0
79.05492	52.9
81.03401	2.3
81.07054	100.0
82.07394	1.5
83.04974	7.8
83.08619	19.2
85.06550	5.3
91.05475	28.4
93.07043	72.2
94.07361	0.9
95.04964	10.0
95.08602	23.3
96.08962	0.6
97.06533	15.0
97.10143	2.4
98.22713	0.8
99.04463	0.5
99.08077	3.3
101.98665	0.5
103.05403	0.5
105.04529	3.2
105.07033	10.1
107.04953	0.5
107.08591	38.9
109.06530	3.2
109.10150	3.5
111.08080	8.5
111.11702	0.8
113.06024	0.9
113.09653	0.6
115.05444	0.9
116.06269	0.6
117.07008	10.1
119.06088	0.9
119.08551	2.5
121.06522	2.3
121.10139	22.1
123.08100	1.0
123.11671	3.9
125.09630	1.1
127.07580	0.9
129.07010	1.2
131.08565	12.3
133.10129	13.6
133.11140	0.8
135.08058	2.2
135.11696	12.0
139.07549	0.6
139.11205	2.0
145.10182	0.6
147.11693	2.1
149.13252	45.4
150.13576	1.5
151.11185	1.7
159.10367	0.8
159.11691	17.9
165.12857	0.5
167.14348	1.3
177.12733	9.6
178.13141	0.5
195.13803	24.8
196.14261	0.7
213.14851	4.0
226.09666	0.4
251.16479	1.7
269.17505	0.6
371.26151	0.5
385.14453	0.5
445.29456	1.1
463.30554	94.8
464.30899	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	463.3059
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03958	2.7
54.98871	0.8
55.01870	3.3
55.05521	19.8
57.03438	5.3
57.07072	3.1
65.03951	2.7
67.05515	84.1
68.05834	1.0
69.07080	27.2
71.05011	4.8
77.03931	1.6
79.05506	50.0
81.03441	6.8
81.07068	100.0
82.07401	1.8
83.04997	8.4
83.08627	17.4
85.06568	5.5
85.92599	0.8
91.05487	33.6
93.07057	67.8
94.07397	1.3
95.04990	11.8
95.05553	1.5
95.08624	25.1
97.06548	12.7
97.10157	1.7
98.23055	6.7
99.08103	2.5
105.04539	3.7
105.07047	15.1
107.04988	2.0
107.08611	41.2
109.06544	3.4
109.10165	7.7
111.08112	9.5
115.05506	1.0
117.07038	12.1
118.49662	0.8
119.06117	0.8
119.08591	4.9
121.06520	3.0
121.10152	20.4
121.10979	1.3
123.08067	1.2
123.11726	5.2
129.07025	2.1
131.08580	14.3
133.10149	16.5
135.08052	2.5
135.11694	11.3
139.11232	1.2
143.08569	1.8
145.10181	1.7
147.11713	1.9
149.13283	40.2
151.11209	3.2
153.09207	1.0
155.08632	1.1
157.10117	1.5
159.11717	16.0
167.14343	1.5
174.64676	0.8
177.12749	7.6
185.13272	0.9
190.59462	0.8
193.12218	1.3
195.13826	22.0
195.15582	1.4
213.13133	0.9
213.14789	4.2
251.16595	1.2
253.14378	1.9
353.24893	2.3
371.25668	1.6
389.26895	1.6
445.29517	5.2
463.30640	94.8
464.31015	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01876	4.9
55.05510	33.2
57.03429	10.4
57.07075	4.1
62.71270	2.0
64.97108	2.3
65.03941	5.2
67.05160	4.3
67.05506	83.9
69.03414	2.5
69.07070	29.9
71.04998	7.2
77.03952	2.0
79.05496	76.5
81.03428	3.0
81.07059	91.1
83.04968	6.0
83.08627	20.4
85.06544	5.3
91.05481	91.7
91.06055	4.8
93.07048	71.0
95.04976	15.7
95.08610	57.4
97.06544	12.5
97.10172	5.1
103.05463	6.7
105.04523	3.2
105.07032	83.0
107.04982	5.4
107.08590	42.8
107.90987	2.1
109.06533	8.1
109.10141	16.1
111.08083	8.0
115.05474	5.1
117.07021	42.3
119.08583	50.9
121.06475	11.8
121.10134	27.3
123.08073	5.6
123.11703	3.9
125.09644	2.4
128.06241	4.0
129.07016	24.9
131.07559	3.2
131.08559	66.5
133.06485	5.9
133.10132	28.7
135.08051	7.9
135.11697	12.0
137.09647	3.4
139.49284	2.0
141.06995	9.0
142.07753	2.3
143.08569	25.2
145.06464	3.1
145.10129	42.9
147.08040	4.0
147.11691	8.7
149.09572	6.3
149.13280	15.3
151.11266	4.1
155.08585	11.8
157.10104	19.0
159.08086	3.3
159.11699	25.8
161.09625	4.5
161.13263	4.8
167.08560	5.9
169.10114	11.5
171.11671	11.8
173.13274	7.4
177.12750	2.7
179.29834	2.0
181.10175	5.7
183.11705	7.6
185.13277	8.6
187.11235	3.6
187.14847	4.3
189.10867	2.2
195.11749	5.2
195.13655	4.3
197.13245	8.6
199.11203	2.6
199.14848	3.7
201.12723	3.0
205.12108	2.4
209.13292	6.5
211.14857	6.5
213.14691	3.7
215.14348	2.4
219.13771	3.4
219.17482	3.0
223.14896	3.3
225.16460	3.7
227.17755	2.3
233.15425	4.7
241.15909	2.5
243.17758	2.4
247.16960	5.9
255.17380	3.7
259.16925	5.2
261.18713	2.8
273.18546	3.4
291.15765	2.5
325.25296	6.7
335.23654	11.2
343.26367	17.5
353.24716	41.1
354.25262	2.4
361.27048	3.4
371.25812	59.3
372.25885	4.0
389.26871	69.2
390.26968	3.0
427.28531	2.8
435.30887	2.5
445.29507	100.0
446.29840	4.9
461.97147	2.4
463.25293	13.1
463.31396	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05508	19.1
57.07082	10.4
61.94816	1.9
67.05502	4.3
69.07071	18.6
71.08620	3.1
71.39612	1.9
74.30162	1.6
77.01119	1.6
79.05502	3.4
81.07067	10.7
83.04985	45.5
83.08621	7.5
88.75535	1.7
91.05481	4.4
92.44583	1.6
93.07047	12.3
95.08599	12.0
97.10192	4.2
99.08123	2.3
105.07042	1.9
107.08600	5.0
109.06512	3.7
109.10161	6.5
111.08058	4.6
111.11732	2.4
121.06514	23.0
121.10141	3.3
123.08067	3.6
123.11725	2.0
125.05958	2.3
127.07544	12.7
135.08075	9.8
137.06013	2.7
137.09619	6.8
139.07541	59.4
149.09663	3.6
151.07587	3.4
153.09111	5.2
159.11662	1.7
163.07523	8.2
163.11148	2.1
165.09132	5.2
167.10706	2.6
169.08641	2.5
171.13794	24.0
181.08630	12.6
181.12227	1.6
189.12747	2.3
223.13397	2.1
237.14864	2.2
246.73653	1.7
445.36755	46.9
446.36566	2.2
448.33682	1.9
463.37796	100.0
464.38199	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.05515	1.7
57.03439	8.9
60.56590	0.5
61.02950	1.2
65.19520	0.5
69.03432	2.4
69.65051	0.5
71.04999	78.8
71.44752	0.6
72.05331	0.9
73.02927	1.6
75.04494	4.9
81.03424	0.8
83.04988	6.9
85.02913	100.0
86.03233	0.9
87.04482	2.0
97.02913	2.7
99.04475	1.9
101.06024	1.0
103.03955	1.2
105.07089	0.6
109.02866	0.7
109.81158	0.4
111.04446	4.1
121.02882	5.7
125.02280	0.5
127.03927	3.4
129.05489	50.0
130.05786	0.6
131.04953	0.7
132.41255	0.5
136.07597	0.5
139.03911	8.0
144.06572	1.2
145.04961	2.0
146.08109	1.2
147.06532	26.4
153.01817	1.0
162.07617	1.6
163.06053	0.7
164.09216	5.7
165.07582	0.5
171.06538	0.5
180.08696	2.4
204.18858	0.4
213.72853	0.6
255.08635	1.2
267.12128	0.7
273.09705	1.1
303.01663	1.1
303.04987	6.0
309.11661	1.0
322.72964	0.5
326.14462	0.8
447.17239	0.6
465.06171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01892	0.9
55.05513	1.8
57.03447	10.6
59.05011	0.6
61.02926	1.8
69.03435	3.3
69.61465	0.6
69.61819	1.8
71.01373	1.1
71.04999	71.4
72.05344	0.7
73.02921	1.9
75.04487	5.3
81.03430	0.7
83.04990	8.5
85.02914	100.0
86.03262	1.1
87.04475	1.9
91.05468	0.7
93.04052	0.7
97.02888	4.5
98.23123	1.8
99.04448	1.5
103.03927	1.0
109.02906	1.2
110.06048	0.8
111.04443	5.7
114.27660	0.5
117.07014	1.0
121.06516	10.5
127.03939	4.7
129.05492	45.3
130.05870	1.0
133.06552	0.5
136.31863	0.4
145.04985	5.5
145.06482	3.0
146.08116	1.9
147.06537	26.4
151.07603	0.8
153.01823	2.3
159.08086	0.9
163.06012	1.6
163.07516	1.4
164.09215	7.7
165.07629	1.1
167.77342	0.6
175.07498	1.5
187.07527	4.6
205.04678	1.5
205.08611	6.1
206.05046	0.9
229.08623	1.6
231.02968	0.8
231.10182	2.1
237.07611	0.6
247.09604	1.5
249.11209	1.1
255.08768	2.5
257.00815	1.5
259.02252	1.4
265.10687	1.7
267.12204	2.3
273.09686	2.2
275.01801	1.3
277.03436	4.5
285.00293	0.7
303.01242	8.3
303.04919	1.9
309.11679	2.2
358.14008	0.6
464.06259	1.2
464.16144	5.4
465.06348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01894	0.9
55.05511	1.3
56.55571	0.5
57.03443	11.0
59.05009	0.8
59.45173	0.5
61.02928	1.6
69.03455	2.6
70.51553	1.0
71.01351	1.0
71.04998	72.9
73.02915	3.0
75.04472	4.3
81.03442	1.2
83.04989	9.5
85.02911	100.0
87.04472	2.0
91.36476	0.5
95.05008	0.6
97.02901	3.8
98.23193	1.2
99.04469	1.9
101.06067	0.8
102.38286	0.5
103.03966	1.3
109.02890	1.3
110.06063	0.6
111.04457	5.6
111.83302	0.5
117.07088	0.5
121.06506	9.5
127.03934	5.6
129.05486	51.2
145.04967	5.2
145.06468	3.2
146.08124	2.5
147.06531	34.3
148.06798	0.6
153.01773	0.7
159.08069	1.6
163.06032	1.8
163.07579	2.0
164.09196	10.1
165.07597	1.1
171.06554	0.5
175.07498	0.8
176.37927	0.6
179.07042	0.7
187.07538	5.7
205.08591	7.2
229.08615	1.8
231.10121	2.3
237.07570	1.2
247.09674	1.4
249.11304	1.2
255.08730	2.6
257.22998	0.5
265.10770	1.9
267.12256	2.5
273.09607	2.4
303.01416	0.7
309.11798	3.5
318.15405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05504	1.1
57.03187	0.8
57.03445	10.8
57.84983	0.5
59.05001	0.8
61.02933	1.7
63.00375	0.6
67.05528	0.7
69.03440	4.2
69.43951	2.9
71.05000	75.1
73.02932	1.4
75.04488	5.3
79.05519	0.8
80.48193	0.7
81.03420	1.5
83.04993	8.5
85.02914	100.0
86.03252	0.8
86.27219	0.6
87.04485	2.2
91.05480	1.1
91.20341	0.5
93.07051	1.3
95.04964	0.8
97.02889	4.3
98.22702	1.1
98.23365	1.1
99.04472	1.3
101.06039	0.8
103.03931	1.5
103.05499	1.5
105.07032	4.8
109.02876	1.3
111.04447	7.1
117.07014	1.3
121.06520	41.4
122.06792	0.8
126.26122	0.6
127.03931	4.2
129.05492	41.4
133.06511	3.4
137.95847	0.6
139.07567	6.0
145.05025	4.2
145.06494	5.7
146.08194	0.8
147.06535	25.2
149.06017	1.5
151.07582	1.6
153.01920	1.8
159.08092	1.2
163.06203	1.5
163.07576	3.5
164.09201	3.3
171.08148	0.7
174.60942	0.6
175.07584	2.0
177.05548	1.3
187.07510	7.7
205.08640	8.7
213.09151	2.7
231.10211	10.2
237.07704	0.8
243.08846	0.9
249.11275	6.9
255.08751	2.6
259.11295	1.4
267.12143	4.5
273.09705	1.6
285.13135	0.8
303.01447	4.5
303.05084	2.0
309.11859	3.8
315.13531	0.9
388.54797	0.7
429.16541	1.7
447.17679	2.7
465.18677	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	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62904	0.2
51.02382	0.2
53.03949	0.4
53.70795	0.2
55.01883	0.3
57.03442	1.6
61.02947	0.2
65.03930	0.2
69.03417	0.3
69.38938	0.2
69.49382	0.8
71.04997	11.1
73.02895	0.3
75.04492	0.4
77.03926	0.3
78.04704	0.8
79.05473	0.3
81.03432	0.3
83.04984	0.6
83.05456	0.2
85.02908	11.4
87.04478	0.3
91.05470	2.3
91.05922	0.2
93.07039	0.3
95.04976	1.3
95.08646	0.3
97.02891	0.5
97.06512	0.2
105.04539	0.5
105.07033	0.4
106.04172	0.4
107.04975	0.4
107.08572	0.2
108.15881	0.2
111.04485	0.5
121.06507	100.0
122.06841	2.0
125.06004	0.3
129.05489	3.8
133.10136	0.2
134.08072	0.3
135.08115	0.2
137.05942	0.3
147.06529	1.5
153.01830	2.2
161.09663	0.4
164.09210	1.3
165.01822	0.6
167.03418	0.4
179.03439	0.3
185.09563	0.4
189.09100	0.3
245.04469	0.5
249.11253	0.5
267.12225	1.5
273.04013	0.7
303.01596	0.5
303.05038	0.7
319.04486	9.7
449.22742	0.2
465.13904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01875	1.3
55.05521	1.3
57.03434	11.1
61.02926	1.6
64.49468	0.7
65.43616	0.8
69.03434	6.8
69.50372	2.7
71.01365	0.8
71.04995	70.0
72.05341	0.8
73.02914	2.5
75.04486	4.7
79.05498	0.7
81.03432	1.5
83.04517	0.9
83.04983	7.6
85.02906	100.0
86.03228	0.9
87.04476	2.5
93.07009	1.2
95.04980	1.0
97.02895	4.7
98.22746	1.4
99.04454	2.5
103.03967	1.1
109.02889	1.5
109.88375	0.6
110.06040	2.1
110.09680	0.7
111.04420	5.7
121.06505	17.4
121.64281	0.6
126.09176	0.9
127.03899	4.4
129.05476	41.6
133.06467	1.0
135.04460	0.9
135.08070	1.3
137.02396	3.9
138.09137	3.9
139.07558	2.8
145.04985	3.1
145.06490	2.9
146.08156	1.9
147.06523	25.1
149.05956	1.2
151.07585	1.9
153.01868	3.1
154.02182	1.3
154.04895	0.7
156.10207	23.0
159.06596	1.0
159.08070	1.2
163.06276	1.2
163.07520	5.4
164.09192	7.8
165.01935	0.9
167.03499	1.2
173.06033	1.7
175.07541	0.9
181.08647	0.8
182.08138	1.0
187.07558	3.3
194.64989	0.7
201.05452	0.8
205.08655	3.5
229.04993	2.4
231.10190	4.7
237.07588	0.8
247.06079	0.8
247.09618	1.7
249.11168	4.2
250.67572	0.7
255.08553	2.2
257.00842	0.9
257.04422	1.0
265.10800	0.8
267.12292	3.3
273.09668	1.6
275.01910	0.8
285.00327	1.1
285.03827	0.8
301.12839	1.0
302.12335	1.1
303.01404	10.5
303.04904	53.3
309.11780	1.9
318.15448	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	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.48516	0.1
52.71569	0.1
53.03937	0.5
53.73976	0.1
55.01877	0.7
57.03428	1.0
59.05005	0.2
61.02663	0.2
61.02927	1.4
65.03935	0.3
67.05499	0.1
68.99789	1.1
69.03429	3.3
69.15564	0.8
71.04999	0.8
71.06317	0.1
73.02895	0.4
81.03413	2.0
81.85349	0.1
83.01337	0.1
85.02903	9.9
86.71204	0.1
87.04472	0.3
87.23652	0.1
91.03951	0.5
93.03409	0.4
93.07040	0.2
95.04980	0.5
97.02892	3.0
97.45323	0.1
99.04456	0.5
109.02887	1.4
110.77193	0.1
111.00786	1.4
121.02858	1.4
123.04432	0.4
127.03909	1.9
135.04390	0.3
137.02344	4.4
137.03326	0.2
145.04958	1.7
145.06401	0.3
149.02316	0.7
153.01820	5.8
155.04944	0.3
159.04402	0.2
161.05980	0.5
163.03900	0.9
165.01840	2.7
166.02589	0.3
167.03383	0.2
173.05963	0.6
177.05515	0.1
179.03362	0.2
183.02885	0.9
183.04422	0.5
187.03917	0.5
191.03239	0.1
191.06876	0.2
195.02954	0.3
201.05460	2.5
205.04955	0.3
207.02885	0.2
211.03952	0.3
219.02844	0.2
219.06540	0.3
228.04265	0.3
229.04947	6.0
239.03505	0.3
247.06035	1.0
257.04443	3.5
274.04749	1.0
275.05414	0.4
285.03943	1.6
303.04971	100.0
304.05304	3.7
319.04483	1.0
381.14297	0.2
466.16626	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	466.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55570	0.4
62.01603	0.3
69.03425	0.4
69.50739	1.1
81.03424	0.9
84.71996	0.3
85.58576	0.3
89.03911	4.9
91.05480	0.6
100.66703	0.3
109.02883	0.5
117.03375	18.1
121.02853	2.7
134.03606	1.4
135.04413	1.1
145.02840	46.1
146.03111	0.5
149.05968	6.3
154.25395	0.3
163.03918	0.4
177.05463	100.0
178.05804	2.4
186.05482	0.8
195.06493	0.7
233.04372	0.5
251.05574	0.5
263.05380	0.7
321.09729	0.9
339.10565	0.7
369.77841	0.3
427.60211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01859	0.5
55.05518	3.7
55.05767	0.8
57.03441	5.2
57.07072	0.6
57.41034	0.5
58.26440	0.4
61.02938	2.2
67.05505	19.2
68.05814	0.5
69.03411	1.1
69.07065	7.2
71.04979	2.2
73.02909	1.3
79.00818	0.4
79.05490	9.5
81.03397	1.2
81.07056	30.2
83.04987	2.3
83.08626	4.2
85.02905	2.5
85.06526	1.5
88.08221	0.4
91.03951	1.5
91.05480	4.3
93.07047	19.5
94.07397	0.6
95.04969	2.1
95.08601	6.8
97.02885	1.7
97.06535	4.0
97.10148	0.7
99.04429	0.5
99.08092	1.6
105.07005	1.7
106.44838	0.4
107.08592	10.6
109.06499	1.1
109.10143	1.6
111.08075	3.3
117.07002	2.1
119.08577	1.1
121.06497	0.7
121.10145	6.5
123.11665	1.0
131.08583	3.3
133.10126	3.1
135.08038	0.7
135.11665	3.1
137.13235	0.9
139.11176	0.7
145.04904	0.5
149.13255	16.1
149.14452	1.0
153.01787	0.7
154.27910	0.4
159.11679	7.3
159.54970	0.6
161.13405	0.6
174.27711	0.5
177.12773	4.0
179.14320	0.8
188.06491	0.5
195.13785	6.2
213.14914	0.6
269.17474	100.0
270.17792	3.4
287.18594	0.9
431.22937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
51.02372	0.7
55.01855	0.2
56.46183	0.2
69.03429	4.0
69.32899	1.0
76.24873	0.2
79.01850	5.2
81.03403	1.0
82.92931	0.2
85.02894	0.7
93.71588	0.2
97.02895	1.7
99.04435	0.2
107.01336	1.0
109.02886	1.0
125.02345	3.1
127.03902	2.4
131.04936	0.3
136.07576	0.4
137.02345	1.3
143.03383	6.1
145.02859	0.3
147.04474	0.2
150.58362	0.2
151.03926	0.5
153.01823	100.0
153.02893	5.6
154.02161	1.3
159.03114	0.2
159.04289	0.4
163.03928	0.8
164.07095	0.5
165.01878	0.3
167.03448	0.3
171.02875	0.6
175.03815	0.4
177.05490	0.5
177.32681	0.2
179.03403	0.5
181.01390	0.3
191.03435	1.5
193.02032	0.2
195.02847	0.3
205.04974	0.5
207.02939	0.7
209.04588	0.4
219.02824	0.5
233.04442	0.6
237.04022	1.3
241.13284	0.3
259.05981	0.4
259.14456	0.3
269.03262	0.5
269.12964	0.6
279.04999	0.2
287.05402	0.5
287.14001	0.6
297.06033	1.5
305.14938	1.5
449.07047	0.4
467.11563	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	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02370	0.7
53.00293	0.1
55.01868	0.2
55.51424	0.1
64.85992	0.1
69.03430	1.1
70.94814	0.2
71.05005	0.1
75.10376	0.1
77.62788	0.1
79.01855	5.4
81.03421	0.9
83.36450	0.1
85.02886	0.2
85.25550	0.1
89.65327	0.1
95.01329	0.2
97.02892	1.1
97.61563	0.1
99.04472	0.2
107.01321	1.2
109.02872	0.7
123.00774	0.2
125.02350	2.6
127.03917	2.2
139.03952	0.1
143.03398	6.8
147.04428	0.1
153.01825	100.0
153.02882	5.6
154.02159	1.1
163.03894	0.3
167.03413	0.1
171.02901	0.3
177.05504	0.1
191.03400	0.6
193.05116	0.1
195.02751	0.2
209.04471	0.2
213.03917	0.3
219.02814	0.2
233.04401	0.3
237.03926	1.6
259.05930	0.1
261.03912	0.5
269.03314	0.2
279.04999	0.7
287.04257	0.2
297.06036	1.3
305.01990	0.2
379.82611	0.1
380.09766	0.1
449.07175	2.2
467.08551	0.6
467.14734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02181	0.1
51.02376	0.7
53.00317	0.1
53.03943	0.2
54.88970	0.1
55.01868	0.1
69.03434	2.4
69.54876	0.4
79.01863	6.3
81.03430	1.0
97.02908	1.9
98.22906	0.3
107.01325	1.3
109.02869	0.8
123.00780	0.2
125.02358	3.3
127.03168	0.1
127.03931	3.6
143.03412	7.4
153.01842	100.0
153.02907	6.0
154.02142	1.3
163.03886	0.1
171.02908	0.9
179.03354	0.2
181.01370	0.1
191.03429	0.2
195.02940	0.2
209.04556	0.1
213.03972	0.4
233.04556	0.2
237.03978	0.6
261.03983	0.2
279.04947	0.6
297.06113	1.1
412.14566	0.1
449.07114	0.6
467.07974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.30937	0.5
55.01889	0.7
55.05514	2.6
57.03445	13.2
59.05013	0.7
60.08197	0.7
61.02935	1.8
69.03445	4.5
69.07069	3.0
69.37517	2.5
71.01366	1.2
71.05003	70.3
73.02924	6.0
75.04487	4.3
76.34711	0.4
81.03423	1.0
83.04991	7.6
85.02918	100.0
86.03242	0.9
86.09708	1.9
87.04476	2.0
91.35489	0.5
93.07056	0.8
95.04993	0.6
95.08645	0.8
97.02907	7.6
98.22751	1.1
99.04454	1.4
101.06018	0.5
103.03960	1.3
104.10766	4.1
109.02887	1.1
110.06014	0.6
111.04454	5.1
111.11723	2.8
115.03907	2.4
123.04441	0.6
125.00024	1.0
125.01566	9.8
127.03936	5.8
129.05495	44.3
133.04962	1.0
139.11198	3.7
145.04956	5.1
146.08122	1.4
147.06537	28.0
147.67746	0.5
153.01917	0.6
157.12248	8.3
163.06009	2.5
164.09216	7.6
165.07613	1.0
167.21225	0.5
176.61313	0.5
180.08722	0.6
184.07414	3.5
201.50899	0.6
225.07590	0.5
235.13310	0.8
237.07530	0.8
241.06995	0.8
247.98027	0.5
253.14435	1.3
255.08597	2.0
259.08090	0.6
269.05716	0.5
273.09781	1.3
304.05209	1.8
305.05145	0.6
306.05768	2.1
309.11783	1.7
314.69650	0.5
330.47153	0.5
339.57214	0.6
364.63559	0.6
468.23163	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	468.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11853	1.3
55.05511	3.4
56.96570	2.9
57.03434	8.7
63.18018	1.3
65.29928	1.5
67.05498	2.6
69.03429	3.4
69.07079	2.4
71.04993	66.5
73.02935	2.5
75.04482	4.0
81.03418	2.8
81.07066	4.7
82.64188	1.3
83.04980	9.9
83.08630	1.9
85.02904	100.0
87.04476	1.6
91.30537	1.6
95.08569	1.6
97.02903	4.9
98.97603	4.7
99.04449	2.1
111.04430	5.2
113.05998	2.3
119.08608	1.5
120.08889	2.0
121.10148	1.5
123.26540	1.5
127.03948	4.1
129.05473	41.3
145.04967	5.8
146.08171	1.7
147.06520	24.3
149.65544	1.5
154.93129	1.7
163.06035	2.0
164.09195	6.4
188.44055	1.5
208.91190	1.5
216.78654	1.5
253.17755	1.6
265.11008	2.3
289.11121	10.6
316.39316	1.3
349.13599	1.5
351.01184	1.3
420.84998	1.5
469.24225	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	469.1472
Annotation	Polycarpine
Peak:m/z	Relative Intensity
55.05517	1.5
56.96553	3.2
58.71562	1.8
67.89297	1.6
69.03410	2.3
69.12739	9.1
71.04990	4.8
75.08992	1.6
81.07070	2.2
83.08622	1.6
85.02899	5.6
98.97585	4.4
105.94381	1.5
109.06510	2.4
110.38757	1.6
110.97565	3.4
116.98624	2.9
123.08076	1.8
126.00710	1.4
127.11219	2.2
128.98653	1.8
129.05533	1.8
143.00130	2.0
143.01898	4.3
145.12244	3.8
151.07535	10.7
157.12244	3.2
161.02925	7.8
164.07066	3.5
166.14763	1.6
198.14862	1.7
203.04053	2.5
210.14868	2.6
219.01776	4.2
221.04922	2.3
237.02805	5.0
263.05969	2.7
323.08133	12.4
341.09012	9.9
354.23938	1.9
469.14676	100.0
469.19443	4.4
470.14856	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	469.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26566	1.4
54.53640	1.3
56.29560	1.4
56.96564	22.0
57.03430	1.4
60.46000	1.3
69.03430	2.8
69.07043	2.7
70.03512	3.1
71.04945	2.8
81.03406	2.5
81.07022	2.2
83.08599	1.6
85.02876	5.9
89.03925	9.2
91.05456	2.0
95.08570	1.6
97.02851	1.7
98.23439	1.7
98.97584	16.9
102.24934	1.5
105.07021	2.0
116.98597	5.9
117.03381	22.8
121.10096	1.6
123.08043	1.5
127.03858	1.7
134.03581	2.0
137.02724	3.0
137.21443	1.9
145.02843	59.7
149.05952	8.5
150.81882	1.6
151.04320	1.7
155.03760	2.3
157.38698	1.4
158.99626	2.5
163.04245	6.1
165.02197	2.1
171.03162	1.5
174.78914	1.3
175.02763	2.0
177.05467	100.0
178.05779	2.6
181.05345	10.8
183.03264	1.6
186.05515	1.6
195.03214	1.7
199.06512	1.8
207.03273	3.9
213.04266	3.1
219.07137	1.3
219.10481	2.5
221.08380	1.5
225.04330	3.2
227.05772	1.6
233.08296	1.7
235.10118	1.6
237.11581	2.2
245.08536	9.7
247.06302	2.4
263.09543	41.7
265.07571	6.8
281.10629	19.4
283.08356	1.8
289.07434	5.8
289.14084	2.0
305.10590	5.5
307.08508	41.2
307.11765	3.5
307.15048	1.9
308.08737	2.1
321.09537	2.5
325.09619	19.0
330.09998	3.6
339.10648	2.5
343.79062	1.7
349.09561	41.3
409.11276	3.6
453.94852	1.4
469.14246	91.6
470.14346	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	469.1481
Annotation	Polycarpine
Peak:m/z	Relative Intensity
56.96560	12.1
58.56202	1.2
70.00790	1.2
71.02918	1.5
79.05502	1.2
85.02905	1.5
98.97591	9.0
100.80089	1.2
116.98622	2.7
128.98668	1.4
137.02756	1.8
139.03702	1.6
140.76218	1.2
147.74617	1.6
153.02104	1.5
155.03749	1.6
163.04289	3.3
177.05424	1.5
181.05394	4.6
183.03343	1.7
186.53165	1.3
191.10489	3.0
207.03262	3.1
219.10362	2.0
225.04413	1.6
245.08495	6.6
247.06371	1.4
249.10953	3.8
263.09543	21.3
265.07520	5.3
269.59290	1.5
281.10577	10.7
286.11270	1.7
289.07559	2.9
305.10507	3.2
307.08527	17.2
307.15109	24.4
325.09570	7.6
349.09570	15.7
409.11633	2.2
469.14511	100.0
469.20221	22.8
470.15042	3.5
470.20740	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	469.1683
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
58.38047	0.3
69.32310	0.4
70.63236	0.4
70.68797	0.4
85.02937	0.7
139.03911	0.5
139.88385	0.4
153.01807	2.3
154.02203	1.3
155.02309	1.0
163.03926	1.3
176.07074	0.7
233.09306	0.4
272.02524	0.5
307.13007	0.4
323.10910	2.9
469.16858	100.0
470.17102	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	469.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81765	0.2
56.96574	0.3
62.72689	0.2
63.02380	0.5
69.03439	0.7
71.02573	0.2
78.04714	0.5
81.03423	1.2
85.02908	0.6
89.03912	8.6
90.03150	0.2
91.05482	0.6
95.04986	0.4
105.06992	0.3
106.04171	0.9
109.02882	0.4
113.05988	0.3
114.40279	0.2
117.03375	22.6
118.03680	0.3
127.03948	0.3
129.04457	0.3
131.33994	0.2
134.03629	1.7
135.04398	1.1
139.62923	0.3
139.63997	0.2
145.02840	50.6
146.03194	1.2
149.05971	8.4
162.03152	0.3
163.03937	0.5
177.05461	100.0
178.05812	2.6
186.05475	0.6
193.49550	0.2
195.06508	0.6
210.24712	0.2
229.14780	0.2
263.09521	0.7
281.10538	0.4
307.08429	0.6
321.09741	2.0
339.10730	2.6
349.09412	0.5
469.13998	1.3
469.24677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
57.69409	0.1
62.01620	0.2
62.84244	0.2
63.02390	0.4
63.04826	0.2
67.05557	0.2
69.03434	0.5
71.00117	0.3
71.05000	0.6
78.04727	0.6
79.05476	0.2
81.03429	1.3
85.02912	0.5
89.03927	9.5
91.05496	0.7
93.07069	0.3
95.05004	0.4
95.08595	0.2
97.02897	0.3
98.97598	0.3
103.05463	0.4
106.04192	0.8
107.08587	0.2
109.02884	0.5
110.09687	0.3
117.03393	24.3
118.03733	0.2
120.08139	0.2
124.05286	0.2
127.03911	0.3
129.04500	0.3
134.03645	1.9
135.04417	1.5
138.09102	0.2
145.02861	56.1
146.03215	1.0
149.05984	8.4
162.03157	0.3
163.03940	0.5
163.07585	0.2
166.08679	0.2
167.08977	0.2
177.05486	100.0
178.05835	2.6
181.04959	0.4
186.05499	1.0
195.06581	0.8
265.11249	0.2
289.11102	0.6
303.13480	0.5
304.13675	0.7
321.09692	2.4
327.01593	0.2
339.10782	2.3
453.36185	0.2
469.14389	0.2
469.19720	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	470.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
55.01883	3.4
56.96576	1.7
65.03963	1.4
65.70940	1.0
67.05502	4.0
69.03427	3.9
70.18989	1.4
70.19318	1.9
70.26577	1.0
71.05002	3.8
71.82839	1.0
72.48997	1.1
79.05501	14.7
81.03425	9.5
81.07057	6.0
83.01347	2.2
83.04985	1.4
85.02911	6.5
89.49437	1.1
91.05492	12.8
93.03420	1.7
93.07047	5.0
97.02909	12.8
97.06525	7.1
98.22718	1.6
98.97598	4.6
99.04456	5.2
105.07032	7.7
107.04957	3.6
107.08602	84.3
109.02871	8.5
109.06522	4.4
109.10176	3.4
111.86107	1.3
114.76935	1.2
115.05482	1.9
116.98701	2.0
117.07030	5.1
119.06055	3.4
119.08596	1.8
123.04436	3.5
125.06001	2.7
125.09661	4.8
127.03922	10.1
135.08066	45.4
145.04977	1.8
145.06345	1.3
153.09129	18.4
163.07555	100.0
164.08028	1.4
177.05417	2.0
178.05916	1.3
181.05006	2.6
181.08611	37.8
199.09685	14.6
232.71909	1.6
241.10629	1.6
244.03702	1.2
265.11163	1.6
267.84744	1.2
289.10883	5.6
290.11514	5.7
304.13553	1.7
304.27637	1.2
307.11801	14.5
308.12335	1.3
325.12827	45.2
326.13394	1.4
343.14011	1.9
390.33646	1.2
470.20752	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	470.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01878	12.9
55.05502	3.0
57.03442	9.3
59.04997	1.0
59.91133	0.9
61.02927	1.9
65.30272	0.7
67.05498	1.5
69.03427	4.5
69.07047	1.2
70.06575	0.9
71.01353	1.0
71.05000	62.8
71.24587	1.0
71.44200	0.9
71.45411	0.9
73.02919	2.5
75.04489	4.6
81.03412	3.6
81.07066	1.7
83.01355	12.7
83.04989	7.6
83.08566	1.1
85.02913	100.0
85.06544	6.9
86.03264	1.7
87.04469	2.7
93.06998	1.4
95.04988	1.5
95.08610	1.8
97.02891	7.5
97.06527	1.1
99.04450	2.6
100.11283	2.3
101.06010	0.9
103.03963	1.4
109.02883	2.4
109.06521	1.7
111.00828	3.3
111.04437	7.0
111.08147	1.5
113.06019	2.2
123.04459	1.8
123.08075	2.4
125.02360	1.7
127.03920	8.0
127.07559	4.0
127.55967	0.8
128.07106	1.2
129.05487	45.1
129.09084	1.6
136.06171	2.1
139.00281	10.4
139.03926	3.2
139.07549	1.0
143.03401	1.4
145.04979	7.7
145.08646	6.0
147.04399	1.3
147.06528	20.1
149.09636	1.7
151.07510	1.3
153.01843	27.6
153.02953	1.4
154.02177	2.9
155.02269	1.4
157.01369	3.3
163.06035	4.5
164.09200	2.8
165.07556	1.0
167.03377	4.4
169.01375	1.3
171.02930	3.8
177.09073	1.3
181.05048	1.3
185.00797	7.8
186.01617	1.4
195.10275	1.8
201.01904	1.0
204.80067	0.9
213.11259	6.0
229.10724	2.6
237.07556	1.0
239.03285	1.3
241.01288	1.3
246.01596	1.8
255.08688	1.8
257.00778	1.8
267.02902	2.1
273.00363	1.8
273.09772	1.2
281.00934	1.0
286.01077	2.7
287.01883	11.1
295.02332	1.5
297.06219	2.1
300.99789	3.6
302.00671	8.9
303.01395	2.4
305.00928	6.1
309.11841	2.8
312.99832	3.4
313.03262	1.1
315.07101	3.7
323.01962	4.5
328.99286	1.5
351.01392	1.6
360.99945	1.4
379.00925	6.3
397.02026	1.3
407.00330	14.3
434.99710	7.3
452.18240	1.2
453.00909	40.0
470.16437	14.9
470.36938	3.1
471.01993	63.2
471.16388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.05512	2.1
57.03436	1.5
64.51028	0.9
67.05504	1.9
69.03432	10.7
69.07066	8.5
69.31225	2.3
69.31629	3.0
71.04992	2.2
72.02615	0.9
73.02914	1.2
76.41238	0.9
79.05503	8.7
81.03411	13.0
81.07059	24.0
85.02911	3.9
88.09558	1.1
91.05457	4.8
93.07042	17.9
95.04971	1.6
95.08612	4.7
95.18211	0.9
97.02899	13.6
97.06529	6.0
99.04451	2.2
105.07041	10.3
107.08594	61.2
108.08947	1.4
109.02879	9.8
109.06517	20.8
109.10173	3.5
115.03857	1.2
117.06968	1.4
119.08575	3.1
121.06522	2.1
121.10150	14.2
123.08069	3.7
127.03931	12.4
133.10165	1.1
135.11694	34.5
136.11974	1.0
137.09639	4.1
137.13306	2.2
139.11176	12.2
145.10121	14.8
153.12746	4.5
153.84918	1.1
155.57979	1.1
163.11185	58.5
181.12236	100.0
182.12590	1.8
199.13300	38.6
217.08475	1.2
307.15424	4.0
325.16434	30.0
325.20169	2.2
330.49936	1.0
343.17722	6.0
344.48093	1.0
469.82794	1.9
470.24173	3.1
471.21188	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	470.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.05507	1.5
57.03436	6.6
59.93806	1.1
65.66042	1.2
66.16081	1.0
67.05511	6.0
69.03433	5.6
69.07072	3.6
70.95161	1.7
71.04992	56.4
72.39628	1.1
73.02934	1.9
75.04483	3.0
78.06380	1.4
78.17690	1.3
79.01868	1.6
81.03409	9.7
81.07038	2.8
83.04987	6.5
83.08610	8.2
85.02903	79.6
85.06567	1.1
87.04471	1.5
97.02906	7.8
99.04457	3.4
100.11276	4.8
102.36545	1.1
103.03937	1.5
109.02887	6.3
109.10156	49.9
111.04460	7.9
121.02853	7.7
121.06534	1.5
125.02342	2.3
127.03938	12.5
127.11196	41.9
128.04950	1.5
129.05484	24.8
143.03424	4.4
145.04974	3.2
145.12236	100.0
146.06001	4.9
147.06529	13.5
153.01830	96.2
153.02876	4.6
154.02199	8.4
155.02289	3.6
164.09190	3.6
165.09137	1.8
171.02905	10.7
174.05507	3.2
177.05487	2.7
188.74251	1.1
193.76808	1.3
273.09702	2.1
297.06042	7.8
300.08676	2.0
315.07065	16.3
315.10562	1.8
332.10657	1.4
350.11551	1.7
440.34961	1.2
453.00903	2.4
470.13257	5.5
470.19916	1.6
471.01498	2.2
471.18219	9.0
471.35428	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	470.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.05507	1.5
57.03436	6.6
59.93806	1.1
65.66042	1.2
66.16081	1.0
67.05511	6.0
69.03433	5.6
69.07072	3.6
70.95161	1.7
71.04992	56.4
72.39628	1.1
73.02934	1.9
75.04483	3.0
78.06380	1.4
78.17690	1.3
79.01868	1.6
81.03409	9.7
81.07038	2.8
83.04987	6.5
83.08610	8.2
85.02903	79.6
85.06567	1.1
87.04471	1.5
97.02906	7.8
99.04457	3.4
100.11276	4.8
102.36545	1.1
103.03937	1.5
109.02887	6.3
109.10156	49.9
111.04460	7.9
121.02853	7.7
121.06534	1.5
125.02342	2.3
127.03938	12.5
127.11196	41.9
128.04950	1.5
129.05484	24.8
143.03424	4.4
145.04974	3.2
145.12236	100.0
146.06001	4.9
147.06529	13.5
153.01830	96.2
153.02876	4.6
154.02199	8.4
155.02289	3.6
164.09190	3.6
165.09137	1.8
171.02905	10.7
174.05507	3.2
177.05487	2.7
188.74251	1.1
193.76808	1.3
273.09702	2.1
297.06042	7.8
300.08676	2.0
315.07065	16.3
315.10562	1.8
332.10657	1.4
350.11551	1.7
440.34961	1.2
453.00903	2.4
470.13257	5.5
470.19916	1.6
471.01498	2.2
471.18219	9.0
471.35428	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	470.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01875	0.9
55.05512	1.5
56.89611	0.6
57.03435	10.5
57.03699	1.0
57.07070	3.0
59.05000	1.2
61.02935	2.0
61.51286	0.4
67.05141	0.4
67.05508	1.5
69.03415	2.6
69.07052	0.6
70.44168	0.6
71.04993	77.8
72.05328	0.5
72.93126	0.5
73.02935	2.2
75.04481	4.0
79.05492	1.9
81.03410	3.2
81.07077	0.8
83.04987	7.3
85.02904	100.0
85.06590	0.6
86.03208	0.6
87.04479	2.5
91.03927	0.5
91.05480	2.6
93.07111	0.6
95.05003	0.6
97.02885	4.5
97.06483	0.5
99.04454	2.4
99.11753	0.9
101.06036	0.6
103.03958	1.0
105.07050	1.3
107.04935	0.6
107.08595	6.3
108.29523	0.6
109.02874	1.2
109.06544	0.7
109.10151	1.1
111.04455	4.5
113.06048	0.5
117.07038	2.3
121.10136	0.5
127.03917	4.4
127.11188	0.9
129.05475	44.3
133.10123	1.3
135.08055	27.5
136.08362	0.6
144.06540	0.7
145.04918	4.1
145.12230	0.8
146.08055	1.2
147.06519	21.6
151.11177	2.0
162.07599	1.4
163.06137	0.9
163.07524	14.7
164.09184	6.7
165.07520	0.6
169.12256	2.6
169.31384	0.5
180.08662	1.9
181.08585	8.8
185.82797	0.6
196.03600	0.5
199.09660	0.7
237.07483	0.5
247.52200	0.5
255.08603	1.5
272.59354	0.6
273.09534	1.3
273.16885	1.4
283.11975	0.5
289.16394	1.1
325.12894	2.5
326.14441	0.6
330.12958	0.7
343.13943	3.7
470.08096	0.7
470.14233	10.9
470.20093	0.9
471.14063	0.8
471.19788	0.9
471.25357	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	471.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.5
55.05505	1.8
57.03434	3.4
61.02922	0.7
67.05502	1.1
68.99792	2.1
69.03435	1.3
69.07061	1.3
70.06586	0.7
71.04993	16.1
72.05322	1.1
73.02911	0.9
73.38658	0.7
75.04501	1.5
81.03411	2.2
81.07063	0.7
83.01345	16.3
83.04992	3.3
85.02905	28.1
85.06547	2.2
86.03241	1.9
86.09719	1.0
91.05486	1.1
93.03385	0.9
95.01331	1.0
95.04970	1.2
97.02895	1.9
100.11263	1.3
109.02855	1.5
111.00807	5.4
111.04441	4.1
111.11684	0.9
112.81019	0.6
119.04939	0.9
120.83740	0.6
120.99500	0.5
123.00813	1.1
123.04425	6.5
125.02345	0.8
127.03909	2.2
127.07552	1.4
127.11289	0.6
129.05493	9.7
129.07143	0.6
129.09103	0.6
129.12817	1.0
130.05818	0.9
133.10141	0.6
137.02379	1.3
139.00264	17.4
139.03888	10.8
140.01006	0.8
145.02792	0.6
145.05003	1.9
145.08591	2.0
147.04453	3.5
147.06497	5.5
151.03883	1.1
153.01833	11.1
154.02173	2.1
157.01338	5.2
157.68564	0.6
163.03920	1.0
163.06087	1.3
165.05490	1.8
166.27165	0.6
166.99786	0.9
167.03418	1.9
169.01320	1.2
171.02956	0.9
181.04996	3.4
185.00801	14.9
186.01620	2.5
189.01810	1.2
190.02580	1.0
190.64252	0.6
191.03438	1.4
201.01955	0.9
202.02658	1.0
203.03548	0.7
207.06596	1.0
213.01898	0.8
213.11157	1.4
214.08609	0.8
217.01367	1.5
218.02266	0.8
229.01241	0.8
230.02190	1.5
231.02963	1.1
239.03387	2.0
241.01373	2.1
245.00786	0.8
246.01668	2.9
249.01874	1.1
251.03325	0.7
257.00626	3.5
259.02386	2.0
265.11850	1.0
267.02832	1.9
269.00861	0.9
273.00153	3.0
279.02975	0.8
285.00412	0.8
285.03818	0.9
286.01016	4.9
287.01843	17.6
288.02277	0.7
291.08578	2.1
295.02341	2.8
300.99655	4.0
302.00571	13.8
303.01279	2.7
305.00806	5.8
307.02512	1.5
309.12387	0.6
311.02020	0.7
312.99765	5.3
313.03452	1.8
313.06943	1.0
315.07214	1.3
316.07678	0.8
323.01840	8.1
324.02557	0.6
328.99185	3.1
331.00882	1.5
333.00259	1.0
339.01343	0.6
341.02954	1.0
351.01239	3.0
360.99591	1.1
363.01459	2.7
369.02414	1.9
379.00790	11.6
391.00977	1.2
397.01950	2.6
407.00351	21.2
408.00772	1.5
409.02063	2.2
416.98782	0.8
427.03110	1.3
434.99738	10.4
436.00366	0.9
453.00882	66.0
454.01181	3.7
454.21155	0.7
470.36844	1.0
471.01950	100.0
471.17462	8.3
471.36636	0.8
472.02164	5.4
472.20673	0.7
494.03870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04842	0.5
58.92402	0.4
69.59974	2.3
97.67199	0.5
98.39603	0.6
100.11189	0.7
111.04155	0.9
115.49351	0.5
120.83852	0.5
133.10065	0.6
180.55089	0.5
181.04858	2.0
182.05252	1.6
185.04225	0.5
196.04109	0.5
203.10355	2.0
203.21605	0.5
221.83453	0.5
228.14055	0.6
247.16661	1.9
291.15695	10.1
309.16708	79.1
310.17032	3.1
364.12354	0.6
471.22086	100.0
472.22412	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	471.2204
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.98750	0.2
55.05503	0.4
67.05520	0.2
69.07068	0.3
69.34910	0.3
69.35296	0.7
76.36470	0.2
76.90952	0.2
81.07052	0.7
83.04980	0.3
95.08602	0.4
98.22703	0.2
106.20531	0.2
107.08574	0.4
109.10148	0.5
121.10159	0.3
139.11240	0.3
145.10141	0.2
149.53931	0.2
160.27840	0.2
165.09108	0.3
185.04128	0.4
259.08051	0.3
309.16751	2.3
309.27975	0.7
455.66833	0.2
471.21994	100.0
472.22403	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	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
52.49647	0.3
53.03936	0.8
53.84382	0.4
55.01867	0.5
58.24436	0.4
61.02927	0.5
69.03432	2.7
69.19164	1.7
71.04992	0.8
74.96992	0.4
79.01843	2.9
81.03417	7.3
85.02899	3.1
97.02892	6.5
99.04459	1.0
103.03918	0.4
107.01312	1.9
109.02880	4.2
123.97169	0.4
125.02317	2.0
127.03903	6.7
136.06203	0.4
143.03409	4.1
145.04956	1.8
146.06010	0.4
147.04503	0.5
148.04713	0.4
150.78036	0.4
153.01822	100.0
153.02867	4.0
154.02126	1.7
171.02876	14.1
171.04349	0.8
180.20175	0.4
207.06500	0.5
231.06561	1.2
245.45445	0.4
255.05096	0.7
297.06030	11.0
298.06689	0.5
298.10440	0.4
308.49014	0.4
311.14484	0.4
315.07101	12.9
316.07410	0.5
326.03293	0.4
338.36627	0.4
343.09296	0.4
452.68530	0.4
454.01450	0.5
472.02069	0.7
472.19638	0.7
473.13531	0.6
473.19705	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	472.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	2.0
57.03438	5.0
61.02926	7.2
63.71771	0.3
67.05530	0.4
69.03431	15.0
71.04994	1.9
73.02911	3.0
77.77242	0.3
81.03418	6.0
81.07040	0.4
83.01349	0.8
85.02908	100.0
85.73316	0.3
86.03242	0.8
87.04456	1.8
91.03952	5.1
91.05476	0.6
91.95406	0.3
93.07038	0.4
95.08618	0.3
97.02895	22.8
99.04466	4.1
101.02406	0.3
101.20071	0.3
103.03957	0.7
109.02881	7.6
115.03945	0.8
127.03920	24.6
144.06584	0.5
145.04964	53.2
146.05257	0.4
158.99907	0.4
163.06021	20.4
165.09142	0.5
204.08696	0.4
254.94498	0.3
293.19543	0.6
309.16891	0.4
310.16846	0.4
325.11417	0.6
333.89761	0.3
435.59708	0.4
472.21243	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	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01853	1.1
55.05506	2.1
57.03428	0.8
57.07063	1.3
59.05005	1.0
61.02921	1.2
67.05500	2.8
69.03419	4.9
69.07054	2.7
69.49445	2.7
71.04981	3.6
72.23228	0.6
79.05489	3.9
79.67456	0.6
81.03409	2.1
81.06574	1.1
81.07056	14.3
83.04985	1.9
83.08595	1.5
85.02910	7.9
85.06541	7.9
89.15422	0.7
91.05479	3.0
93.07041	8.9
95.04974	4.9
95.08607	20.2
97.02905	3.1
97.06530	2.5
99.04450	4.9
101.06040	1.3
105.07023	7.0
107.08585	9.6
109.02890	0.8
109.06544	3.2
109.10152	4.4
111.04436	3.0
111.08089	4.1
113.06014	0.9
113.09653	12.1
113.10407	1.3
117.06998	1.7
119.08587	8.4
121.06548	1.4
121.10158	11.2
123.08059	2.5
123.11781	1.0
125.05934	1.0
125.09631	1.1
127.03888	1.4
129.07042	0.8
131.08542	3.8
133.10118	10.0
135.08040	10.3
135.11684	3.1
137.09599	7.2
139.11188	2.3
141.09039	0.8
143.08531	3.4
144.09378	1.4
144.19029	0.6
145.04907	0.9
145.10141	4.5
147.08052	0.8
147.11711	5.1
149.09593	5.9
149.13243	1.3
151.07529	0.7
155.10687	5.6
157.10110	3.7
159.11691	8.4
161.09602	7.1
161.13269	0.8
163.07574	0.6
163.11148	1.8
165.12869	0.7
167.10632	2.1
169.10147	1.2
171.11687	2.3
173.13216	4.0
175.11195	4.7
175.14801	3.3
176.11935	0.9
177.09109	1.0
177.12679	2.0
183.11711	2.9
184.12430	1.2
187.14760	0.9
189.12709	1.1
189.16370	1.4
191.14340	1.5
193.12289	3.8
197.13278	0.8
199.14807	9.8
201.12778	4.1
207.13753	1.3
215.18013	1.1
217.15907	5.0
219.13795	14.0
235.16869	0.7
237.14844	13.4
239.17944	2.1
257.18988	8.4
275.20062	36.3
276.20483	1.6
289.11105	1.0
293.21094	100.0
294.21423	3.7
455.26288	7.8
471.48727	0.8
473.23776	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	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03449	2.2
61.02916	2.3
66.56442	2.0
67.05489	8.3
69.03431	4.4
69.07059	8.8
69.59061	6.9
71.04991	26.1
72.62528	2.0
79.05484	6.9
81.03378	4.4
81.07059	14.8
83.04966	8.6
83.08640	3.1
85.02898	14.0
85.06541	15.2
91.05478	8.5
93.07034	16.2
93.74218	1.7
95.04967	12.2
95.08595	19.1
97.02879	5.2
97.06530	28.4
99.04453	100.0
99.08072	3.5
101.06004	19.8
105.07027	17.9
107.08570	14.1
109.06525	6.3
109.10139	13.7
111.08084	6.6
119.08587	16.9
121.10126	18.8
123.08066	4.1
123.11680	6.1
125.09573	3.3
127.03904	5.3
129.06982	3.5
131.08571	2.7
133.10124	17.3
135.07990	4.1
135.11685	3.8
137.05975	1.8
137.09618	7.6
137.13278	2.3
139.11188	2.1
140.60727	1.9
143.08554	6.3
145.04973	3.2
145.10124	6.1
147.11681	47.1
149.09557	4.4
153.09085	8.3
155.10660	93.1
156.09418	2.4
157.10109	11.6
159.11687	10.5
161.09663	2.5
163.11206	3.5
165.09068	3.7
165.12726	10.3
167.10678	4.0
169.10074	2.7
171.11674	7.4
173.13277	5.6
175.14818	20.2
183.11679	6.9
183.13800	5.4
184.12398	5.3
187.14835	5.3
190.21500	1.9
193.15897	8.6
197.13206	9.5
199.14810	47.9
201.12755	4.7
210.01643	2.1
217.15904	8.1
227.17992	2.0
239.17969	21.2
257.18970	35.8
275.20035	25.2
277.21628	2.5
288.21030	2.7
293.21085	8.5
309.16925	6.3
322.73666	2.0
472.21927	43.4
472.31836	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	473.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33581	1.0
52.07815	1.0
52.52365	1.0
52.53569	1.0
53.27546	0.9
56.96561	2.7
62.62389	1.2
65.78594	1.1
69.03421	1.2
71.04992	3.8
71.61872	1.1
77.81591	1.0
85.02901	2.9
94.01631	1.0
97.02914	1.6
98.97575	11.8
98.98090	1.3
105.79155	1.2
110.97582	5.6
113.05994	3.8
114.27786	1.0
116.98618	4.8
128.98628	3.7
131.07050	6.0
134.99672	1.7
138.96751	1.3
139.61104	1.2
146.99654	2.3
153.01921	2.1
156.96635	3.0
157.03716	1.2
174.97659	9.0
180.97842	39.2
182.04895	1.2
183.90265	1.0
187.02821	1.1
192.98712	3.8
198.97627	8.5
198.99239	9.6
200.99100	1.6
210.97690	4.3
216.98703	62.2
217.98975	1.7
224.99347	1.5
228.98679	14.7
229.03984	2.7
231.00317	2.1
234.99770	18.7
237.02846	2.3
241.00246	15.0
243.00305	16.4
243.02672	1.8
244.98299	2.5
246.07492	1.6
246.99826	5.6
252.98662	5.7
253.19676	1.2
255.00282	1.5
258.99747	21.9
261.01266	8.3
269.01923	3.4
270.99756	19.4
277.00888	5.6
282.99734	4.0
287.03036	3.5
289.00839	6.0
293.03171	9.6
301.00778	8.2
311.02863	10.2
319.01907	17.6
323.03036	1.4
328.11005	1.3
329.04034	5.1
337.02841	3.1
345.03589	2.5
353.04041	2.5
361.02991	1.4
408.63907	1.4
413.07156	6.2
431.07233	5.7
473.08176	100.0
474.08496	5.3
491.09109	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67276	0.5
56.64732	0.5
57.03452	4.0
58.47145	0.6
61.02924	0.9
61.90663	0.6
69.03442	2.8
71.05002	21.1
71.44850	0.8
75.04488	0.8
77.69434	0.6
81.03421	1.2
83.04991	1.2
85.02917	33.9
86.09715	0.6
87.04472	1.4
91.03951	0.6
93.07063	0.8
97.02902	3.6
99.04471	1.3
104.05037	0.6
109.02873	1.4
117.00150	0.6
118.12171	0.6
126.64993	0.7
127.03947	2.2
129.05495	5.6
145.04936	1.5
147.04376	1.5
147.06534	1.6
148.02173	58.1
149.02515	0.9
152.11780	0.6
163.03838	0.8
164.04376	1.0
166.03246	100.0
167.03593	1.9
192.06689	1.0
207.78848	0.6
220.05992	1.2
246.44009	0.6
328.08533	26.5
329.08749	1.2
346.09451	0.7
365.80243	0.7
474.20352	3.2
498.53876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35760	0.9
55.01871	1.6
55.05507	2.1
55.43027	1.1
57.03442	10.2
59.05011	1.9
61.02916	1.3
66.82294	1.0
67.05482	1.1
69.03432	3.1
69.07056	1.2
69.72141	3.6
71.04995	73.7
73.02922	2.4
74.30464	0.9
75.04486	4.9
79.05491	3.3
81.03417	4.1
81.07066	9.8
82.42990	0.8
83.04982	10.9
85.02908	100.0
86.06052	1.0
87.04471	4.0
87.17731	1.0
93.07048	4.7
95.08617	2.9
97.02903	5.4
97.06548	2.6
98.66689	0.9
99.04495	1.9
101.06020	1.5
103.03967	1.7
103.05544	1.5
103.97220	1.0
105.07043	1.4
107.08598	1.9
109.02879	4.5
111.04469	7.2
116.07094	0.9
121.09296	1.4
121.10158	28.7
123.11714	9.4
125.05983	7.1
125.09658	3.1
127.03895	5.6
129.05482	47.0
130.05800	1.3
131.04938	12.2
139.11168	8.9
145.04956	1.8
147.06523	25.5
149.05981	7.3
149.09688	1.7
155.44679	0.9
162.07558	1.1
163.06070	1.9
164.09134	2.6
165.07693	1.3
167.10687	11.8
177.05493	2.7
185.11716	10.4
192.06738	1.4
201.03796	1.3
227.12741	2.6
239.12866	1.3
241.08534	1.4
255.08670	1.3
259.09695	4.0
262.11353	1.1
273.09000	1.0
277.10767	2.0
293.13892	1.6
311.14941	7.5
329.15912	18.7
347.16992	12.3
373.14157	1.1
401.36658	1.0
439.19653	9.3
440.19836	4.2
442.17664	25.9
474.19766	16.6
475.32507	7.9
496.99564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	1.7
57.03450	3.2
59.80734	1.9
62.90429	1.7
67.05511	4.7
69.03439	3.1
69.25189	9.1
71.01363	4.0
71.05000	75.0
73.02939	1.7
83.04993	6.9
85.02913	32.4
89.02394	20.7
95.04984	5.9
97.02869	3.2
98.23030	8.5
98.97601	5.3
111.04467	5.9
113.06017	63.6
116.98615	2.7
120.08141	4.0
127.03925	1.9
129.05502	13.5
131.07054	66.7
132.71500	2.0
136.07628	2.1
140.79855	1.9
147.06557	4.7
149.08109	100.0
153.01846	8.2
163.03929	3.1
180.97839	3.5
207.96539	2.2
224.47006	1.9
241.10667	3.7
277.07187	4.1
345.12729	2.4
471.01584	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	475.1944
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
54.78118	0.3
55.01886	0.3
55.05496	1.0
67.05503	1.0
69.03423	0.3
69.07069	0.5
79.05493	1.3
81.03439	0.6
81.07072	1.4
91.05492	0.9
93.07055	1.3
95.04964	0.7
95.08611	1.1
97.10131	0.3
105.07037	0.9
107.04929	0.3
107.08572	0.6
109.10172	0.8
117.07053	0.4
119.08567	0.6
121.02815	0.3
121.06532	0.5
121.10110	0.3
123.11706	0.4
125.09627	0.4
133.10144	0.3
135.11708	0.4
145.10173	0.4
147.04524	0.3
165.09116	0.6
169.04738	0.7
173.09665	0.4
221.11540	1.0
247.13162	0.4
277.21582	0.5
299.65829	0.3
365.15778	0.8
383.22000	0.9
457.25864	1.1
475.19406	100.0
476.19876	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
53.03946	4.2
55.01878	6.1
55.05516	23.5
57.03439	5.2
57.07075	2.5
58.76479	1.0
65.03939	5.2
67.05508	84.1
69.03421	1.9
69.07076	22.1
69.56615	3.1
71.04996	5.3
73.06564	1.9
77.03931	2.5
79.05500	89.9
81.03427	11.7
81.07062	93.1
83.04987	12.6
83.08625	14.9
85.01947	1.1
85.02897	1.1
85.06548	6.1
87.76401	1.1
91.05482	58.7
93.07050	86.8
95.04977	24.6
95.08612	35.1
97.06532	12.9
97.10168	2.9
99.08118	2.2
103.05465	1.4
105.04543	6.0
105.07037	37.2
107.04971	8.4
107.08598	37.8
109.06522	5.4
109.10178	6.3
111.08083	6.9
115.05502	1.7
117.07009	13.7
119.08591	19.9
121.06503	3.7
121.10161	14.8
123.08105	4.5
123.11749	1.6
127.07592	2.3
128.06215	2.1
129.07013	12.7
131.08571	10.2
133.06454	1.8
133.10138	14.1
135.07990	1.8
135.11714	8.4
139.11241	2.0
143.08569	7.9
145.10120	5.8
147.08086	1.8
147.11694	32.0
149.09627	1.2
149.13268	20.8
159.11697	11.4
161.09668	4.2
161.13266	10.2
163.11264	2.0
165.09221	1.3
171.11691	25.3
177.11484	1.2
177.12737	7.1
179.14305	1.4
189.12776	11.1
195.13838	8.7
207.13809	32.4
225.14882	3.6
269.17731	1.7
351.73776	1.3
397.19016	1.5
457.28848	1.6
475.30615	100.0
476.31079	5.1
500.82977	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	476.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
53.86900	1.3
55.05512	2.4
61.53980	1.1
63.47540	1.1
69.03439	6.7
69.29922	6.5
71.04999	4.6
75.04530	1.4
77.03925	2.4
77.26279	1.2
79.05508	15.1
81.03432	4.2
81.07079	2.6
85.02924	5.4
87.04489	1.3
91.05481	12.5
91.45739	1.2
93.07050	48.9
95.04968	4.3
95.08642	2.5
97.02882	2.8
103.05511	1.5
105.04566	2.2
105.07043	17.1
107.08594	7.2
109.02873	2.1
111.08106	1.8
113.06007	2.9
119.08587	8.2
121.06524	3.5
121.10156	87.2
122.10492	1.6
123.08097	2.7
127.03956	1.5
131.07042	5.7
131.08560	8.3
133.07628	2.1
133.10147	1.6
139.11243	1.6
149.09630	100.0
150.09935	2.0
167.10719	11.3
293.14005	5.6
311.14935	18.6
476.31223	11.1
477.17325	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05497	1.0
57.07071	1.7
66.82765	0.6
67.05498	4.0
69.03430	1.5
69.07062	2.6
69.72759	1.3
69.73145	1.0
70.34611	0.5
71.04978	1.7
73.64713	0.5
79.05477	1.6
79.51743	0.6
81.03436	3.2
81.07056	21.1
84.01013	0.5
85.02899	2.5
91.05530	0.6
95.04955	0.7
95.08614	4.2
97.02881	3.3
97.10162	0.7
98.22685	0.9
99.04459	1.3
105.06991	0.9
107.08587	3.1
109.02880	2.4
109.06509	1.8
109.10159	10.4
121.10102	0.9
122.09677	1.1
123.11707	91.7
124.12032	2.1
127.03920	3.6
127.11215	0.7
133.10158	1.2
140.45314	0.6
147.04401	1.1
149.09599	0.6
150.09131	14.1
150.10263	1.0
151.11182	9.1
167.03416	0.7
169.12238	37.8
170.12566	0.9
187.06020	2.3
187.13298	10.4
232.58369	0.5
295.15506	1.1
313.16391	7.1
329.28342	0.6
330.15359	0.9
331.17526	2.7
444.18213	3.7
475.32547	3.8
476.21329	5.8
476.32852	100.0
477.13263	3.8
477.32941	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05519	8.3
57.03431	2.9
58.31229	1.8
62.06094	30.8
62.12454	2.0
65.03934	1.5
67.05509	31.3
69.07069	7.9
77.75410	1.6
79.05501	16.4
80.22089	1.6
81.07053	24.2
83.08601	3.0
91.05511	11.1
93.07043	19.3
95.04987	3.7
95.08617	19.1
97.06544	3.2
98.22725	5.5
98.98474	8.0
105.07034	6.0
107.08601	10.5
109.10146	6.5
117.07092	1.8
119.08578	7.0
121.10145	8.0
123.11758	1.6
131.08609	2.6
133.10126	5.2
135.11696	4.4
142.02689	2.1
145.10094	2.4
147.11700	2.8
149.13289	4.2
155.01067	4.3
159.11589	2.1
173.02022	2.0
182.91508	1.8
198.05292	2.6
216.06306	3.5
222.65622	1.9
230.86087	1.8
233.22699	2.0
243.21146	2.3
261.22177	6.8
267.76505	1.8
304.26337	15.1
335.25806	100.0
336.26071	4.3
458.26486	8.0
472.79449	1.8
476.27536	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.58725	0.5
55.01868	0.6
55.05262	0.6
55.05513	7.1
55.46273	0.4
57.03440	6.5
57.07065	1.0
57.32523	0.4
58.61198	0.4
62.06088	0.5
65.03934	1.3
65.49480	0.5
67.05505	29.1
69.06715	0.7
69.07067	7.4
71.04987	1.0
79.05040	0.9
79.05497	14.1
81.07056	23.5
83.04966	1.1
83.08617	3.1
91.05482	7.6
93.07045	16.9
94.07373	0.4
94.83430	0.4
95.04942	2.2
95.08612	19.0
97.06516	1.5
97.10161	1.2
98.06049	0.7
105.07028	4.4
107.08591	7.6
109.06517	0.9
109.10156	6.2
109.21386	0.4
111.08086	0.5
117.07026	1.7
119.08582	3.3
121.10148	5.1
123.08003	0.9
123.11707	1.4
131.08553	2.5
133.10126	2.1
135.10818	0.6
135.11681	3.5
137.09613	0.4
137.13301	0.4
145.10126	1.8
147.11688	1.7
149.13260	1.4
159.11711	1.1
161.13292	1.1
173.13239	0.7
203.66110	0.4
216.06265	0.5
246.52681	0.5
261.22162	0.9
304.26337	2.1
335.25793	100.0
336.26233	3.3
476.30835	1.6
477.28375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1033
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
52.69106	0.4
53.65952	0.4
55.01878	10.3
55.82488	0.5
57.03440	1.9
60.95128	0.4
61.02937	2.2
66.21745	0.4
67.05519	0.8
68.99804	1.1
69.03445	5.7
69.32249	2.0
71.01353	0.9
71.04981	0.8
73.02911	0.5
81.03412	0.8
81.07051	0.9
85.02919	6.8
87.04461	1.0
91.05483	0.7
93.07033	1.1
94.41728	0.4
95.04937	0.4
95.08614	1.0
97.02902	7.1
98.23250	1.7
102.27895	0.4
105.07030	1.3
107.04947	0.5
107.08574	0.5
109.02903	1.0
109.10160	1.1
111.00832	0.8
115.03112	0.8
115.03939	16.4
116.95303	0.5
119.08619	0.7
121.02886	0.9
121.10174	0.6
123.04448	1.1
127.03940	1.4
127.73338	0.4
129.05492	0.7
131.08574	0.8
133.10139	3.7
134.10487	0.7
137.02351	3.7
139.03958	0.5
142.98476	0.5
149.05862	0.4
153.01836	4.7
161.06027	0.5
163.03928	1.2
165.01848	1.9
165.09166	1.4
175.06024	3.9
201.05434	1.6
229.04993	4.8
247.06265	0.5
257.04483	3.0
282.88510	0.4
285.03815	0.9
303.05008	100.0
304.05368	1.9
306.04425	0.5
326.61862	0.4
381.05957	0.5
476.32785	1.7
477.11469	1.5
477.17169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49738	4.1
55.05515	5.9
57.03432	4.6
69.03418	6.2
69.07047	5.1
69.99706	9.7
71.04991	23.9
79.05459	7.5
80.10312	3.5
81.03425	4.9
81.07060	9.8
83.04965	6.6
84.96001	3.8
85.02908	42.7
86.03276	4.6
87.53841	4.1
91.05482	6.2
93.07026	5.9
95.08610	7.1
97.02888	11.5
103.30583	4.2
105.07027	11.9
107.08611	8.8
121.76650	4.0
125.09544	4.7
129.05463	11.0
133.10129	83.8
134.10463	42.4
142.21631	5.0
147.04410	7.4
147.11754	7.6
165.09146	4.6
167.03403	16.3
175.06042	6.2
177.05470	16.0
259.08664	4.9
303.04987	13.0
385.11499	6.9
476.32889	100.0
476.83044	40.5
477.15475	79.8
477.24112	8.6
477.33002	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	477.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
61.02927	1.3
65.03930	2.5
67.05495	1.1
67.49614	0.7
69.03432	3.4
70.42811	1.3
71.01341	1.6
71.04996	3.7
71.24133	0.7
74.10502	0.7
79.01853	1.7
81.03400	5.8
83.04965	0.8
85.02910	8.1
85.06543	7.6
89.02412	0.6
95.04939	1.4
97.02893	2.5
98.22799	0.9
103.03934	2.7
107.01289	1.9
109.02875	6.0
111.04455	0.9
113.05983	2.5
125.02333	2.5
125.53503	0.6
125.75196	0.7
126.03142	3.7
127.03909	4.4
127.07549	9.3
131.07057	1.0
137.05966	2.9
139.03915	1.1
141.05481	4.5
143.03369	2.3
145.04956	1.9
145.08586	4.2
152.01096	1.8
153.01831	43.7
153.02917	2.3
157.04953	6.4
163.09633	5.5
167.03394	100.0
168.03728	1.2
171.02855	4.7
177.25551	0.7
185.04468	8.5
297.06046	1.3
311.07565	1.9
315.07025	5.9
329.08704	7.9
371.15320	0.8
408.85608	0.7
420.15384	0.7
477.18790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05513	0.8
56.21484	0.5
57.03423	0.5
59.51905	0.5
65.03942	1.6
69.03419	1.8
69.52682	1.9
71.04993	3.2
72.57424	0.5
81.03422	5.4
84.08117	1.1
85.02922	5.1
86.09702	2.1
97.02888	1.8
98.23177	1.9
101.00896	1.1
107.01263	0.7
107.23697	0.5
108.49799	0.6
109.02887	2.8
111.04453	1.3
113.05999	2.3
119.01951	1.3
124.01558	0.9
126.03157	5.0
127.03916	2.5
131.01875	1.1
131.07022	1.5
139.03888	1.4
141.05493	3.5
143.01918	3.9
145.03461	1.2
149.08029	0.9
152.01042	4.3
153.01836	1.3
155.01917	1.6
155.11800	0.6
157.03712	0.8
157.04971	5.6
161.02971	5.9
165.01968	0.6
167.03407	100.0
168.03719	1.3
169.03439	3.4
173.02971	1.4
183.11412	0.9
185.04474	12.0
187.04564	4.2
203.04042	2.1
211.04674	0.8
221.05051	1.0
229.05582	2.3
247.06577	1.4
263.06396	0.7
276.87808	0.5
289.07748	1.7
289.11407	2.1
295.16544	0.8
307.08673	0.6
311.07663	2.7
314.09106	0.6
329.08682	11.1
331.12607	1.3
357.13965	1.7
381.13940	1.3
417.16156	0.7
477.18048	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	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01876	15.8
55.05255	4.0
55.05510	60.7
57.03438	14.3
57.07085	3.4
59.05000	3.5
62.34385	2.1
65.03955	3.6
67.05503	67.0
69.03431	10.3
69.07069	20.2
71.05005	5.2
76.12067	2.2
76.16217	2.1
77.03946	2.8
79.05495	65.5
81.03416	95.0
81.06569	3.4
81.07053	60.6
81.07499	3.8
83.04987	14.8
83.08621	37.7
85.02901	12.5
85.06573	3.8
87.11848	2.5
91.05479	56.7
93.07043	44.2
95.04964	42.9
95.08595	26.3
97.02926	3.3
97.06532	9.9
97.10164	37.2
101.09680	2.2
105.04550	3.3
105.07033	35.2
107.04946	36.3
107.08591	32.5
109.06513	14.5
109.10139	16.8
111.04472	4.6
111.08106	11.3
114.20832	2.0
115.05476	3.5
116.57907	2.0
117.07029	18.9
119.04972	4.6
119.08577	25.6
121.06512	37.7
121.10162	16.3
123.04465	3.7
123.08097	11.3
123.11677	3.1
125.09633	34.8
128.06256	3.6
129.07016	20.3
131.04961	5.8
131.08562	25.5
133.06509	10.3
133.10152	13.5
135.08049	8.5
135.11700	4.5
137.06047	2.5
137.09650	4.6
141.06992	3.9
142.07813	4.0
143.08611	9.7
145.06483	20.0
145.10184	13.0
147.08032	11.2
147.11673	11.0
149.09633	11.3
149.13235	3.4
153.09125	7.8
153.12714	3.5
155.08522	5.2
157.06499	5.1
157.10155	16.2
159.08080	8.0
159.11723	5.6
161.09616	3.6
162.98631	2.1
163.11192	10.6
165.12730	3.0
169.10170	5.6
171.08054	5.8
171.10219	3.7
171.11752	7.0
173.09674	6.7
173.13293	3.8
175.11171	16.8
177.12808	3.1
181.10127	4.2
181.12177	2.2
183.11690	3.2
185.09695	3.0
185.13205	2.9
187.11192	5.7
187.14859	4.5
189.09566	2.6
189.11261	19.6
189.12810	4.1
193.12238	55.8
195.11678	2.6
195.39256	2.8
197.09645	3.0
197.13245	3.0
199.11258	2.5
205.15790	2.8
209.11720	2.6
211.13200	18.7
213.12709	4.2
215.14333	5.7
219.44731	2.2
223.13344	2.9
225.12999	2.2
227.12717	24.4
229.57976	2.1
231.13838	5.1
233.15318	16.7
241.12169	3.5
241.14261	3.8
245.15488	3.3
249.15019	7.4
255.13864	4.1
259.13232	2.7
267.15939	55.9
267.18781	4.4
273.14874	12.0
287.16647	2.3
323.20132	3.4
339.23236	9.8
341.21097	7.3
349.21494	14.5
357.24081	12.4
367.22687	40.3
385.23703	67.2
403.24884	22.5
415.24817	2.5
431.27557	2.4
433.25873	14.7
441.26401	4.5
459.27383	100.0
460.27789	6.7
477.28485	99.3
478.28894	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.0
55.05255	2.8
55.05511	44.6
55.39923	1.5
57.03432	14.7
59.05000	1.9
65.03929	2.5
65.97652	1.6
67.05502	55.8
69.03426	7.5
69.07068	14.5
69.28388	9.5
71.04984	7.9
77.03976	1.8
79.05486	66.3
81.03415	77.3
81.07056	59.0
83.04984	19.3
83.08620	38.7
85.02901	15.6
85.06537	3.6
91.05481	60.3
91.06062	3.3
93.07043	39.4
95.04960	39.7
95.08598	23.1
97.06537	7.8
97.10162	33.5
98.22736	4.3
99.08098	2.2
103.05457	3.9
105.04526	2.5
105.07027	42.2
107.04945	30.7
107.08591	30.2
109.06496	9.6
109.10165	12.3
111.04469	2.4
111.08083	12.5
113.06020	2.9
115.05479	5.2
117.07033	14.2
119.08572	26.6
121.06516	21.2
121.10155	12.2
123.08070	7.4
123.11752	4.0
125.09632	25.5
128.06256	2.0
129.06984	21.7
131.04941	4.0
131.08569	23.5
133.06514	10.4
133.10118	20.4
135.04482	2.3
135.08003	9.4
135.11667	4.0
137.09576	3.0
141.06987	2.9
142.07796	4.7
143.08534	8.0
145.06471	11.1
145.10138	11.5
147.04425	3.1
147.08066	8.7
147.11659	19.3
149.05992	1.9
149.09583	8.7
151.07503	1.9
151.11182	2.2
153.09106	5.5
153.12784	2.2
155.08508	3.9
157.06560	4.0
157.10143	17.4
159.08075	2.5
159.11722	3.3
161.09605	3.3
163.11189	6.4
165.09103	3.2
165.12740	4.7
167.08539	2.3
169.10069	3.4
171.08003	3.6
171.10255	2.2
171.11679	6.4
173.09613	3.0
173.11821	2.2
175.11160	18.3
177.12756	2.1
181.10106	2.2
185.09633	2.6
185.13243	2.7
187.11153	2.4
187.13161	1.7
187.14799	2.2
189.11223	16.0
189.12737	2.9
193.12234	57.7
195.11682	2.4
197.09723	2.7
197.13260	2.0
199.11255	3.2
211.11371	1.6
211.13268	33.2
211.15131	2.7
213.12711	2.1
215.14310	3.8
217.12167	2.9
223.13142	1.9
227.12596	11.8
231.13840	3.0
233.15375	12.0
241.14331	2.5
242.26082	1.6
245.15437	3.1
246.22787	1.7
249.14943	4.9
255.13864	3.7
259.13254	1.6
267.15884	37.3
267.18707	2.0
273.14886	12.3
291.15878	3.4
321.22076	2.4
331.20630	2.4
339.23279	5.3
341.21069	2.1
349.21594	15.3
357.24356	4.5
367.22647	34.2
378.90662	1.7
385.23703	61.8
403.24759	17.0
404.24686	1.7
433.25739	5.5
441.26300	5.4
459.27408	80.9
460.28140	3.9
477.28464	100.0
478.28992	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	477.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81388	3.4
55.05511	54.9
57.07071	26.8
67.05505	36.6
67.47084	3.6
69.03421	5.8
69.07064	85.5
71.05016	4.3
71.08630	27.4
71.19489	4.8
72.94484	3.4
73.19194	3.7
77.49795	3.6
79.05509	23.8
81.07052	100.0
81.07507	7.5
83.04958	4.8
83.08618	51.3
85.10176	12.6
85.85350	3.6
91.05479	11.3
93.07041	28.2
95.04959	5.2
95.08604	94.2
97.10177	28.4
98.23470	4.8
99.04438	5.4
99.08095	3.8
105.07020	20.2
107.08594	30.1
109.06508	15.5
109.10154	64.7
111.04430	8.9
111.08060	3.8
111.11691	19.2
116.96433	3.2
117.06975	4.6
119.08576	14.8
121.10139	25.3
123.11726	26.6
125.05997	37.4
125.13290	6.4
127.03907	14.9
131.08560	11.2
133.06496	13.0
133.10139	12.1
135.08046	7.6
135.11693	10.4
137.05975	85.8
137.13264	16.5
142.07747	8.2
143.08545	10.2
144.09302	6.5
145.10126	12.2
147.11703	8.4
149.05957	4.5
149.09581	4.5
149.13278	23.3
151.07529	43.7
151.14795	6.2
153.05487	11.8
157.10112	21.3
157.64093	3.9
158.07310	4.2
158.13190	4.2
159.11693	35.7
161.09595	8.6
161.13335	6.5
163.11142	5.8
163.14841	8.6
165.09081	7.3
167.07056	12.7
169.10135	7.8
171.08052	16.6
171.11740	7.8
172.08861	8.2
173.09644	37.3
173.13206	9.0
175.11130	26.2
177.09096	12.7
179.17976	7.0
185.09608	41.6
187.11168	46.9
187.14772	5.7
189.09154	12.2
189.12686	5.5
189.16313	5.2
191.10710	11.0
193.08592	25.0
195.11647	6.0
199.11192	9.1
203.10672	23.0
205.12207	9.6
209.13283	3.7
213.12743	5.4
215.10706	5.9
217.12247	10.2
219.13791	5.2
227.10710	6.1
227.14355	5.7
229.12228	7.5
229.15906	4.7
241.15979	7.2
249.25807	8.6
255.17415	5.6
267.26874	6.3
275.27298	47.2
333.31497	14.2
346.06940	3.7
381.31445	28.3
386.64371	4.3
395.33124	21.7
396.33560	4.4
399.32635	27.3
413.34024	11.7
417.33521	6.7
423.32330	10.3
441.33722	37.0
459.34634	45.2
477.35495	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	42.3
57.07076	31.3
66.72198	3.2
67.05508	34.6
69.07071	73.4
69.14636	18.7
71.05032	4.2
71.08628	17.6
71.51301	2.9
76.80329	2.9
79.05502	15.1
81.07061	100.0
83.04993	6.9
83.08621	49.0
85.10191	13.7
91.05500	10.3
93.07059	25.6
95.04987	4.3
95.08607	85.7
97.10167	30.5
99.04463	9.1
105.07030	18.4
107.08606	22.3
109.06516	11.5
109.10155	48.2
111.04442	5.4
111.11689	16.5
117.06962	4.4
119.08578	18.9
121.10119	21.2
123.08064	10.4
123.11703	29.8
125.05994	33.5
125.13269	4.5
127.03921	12.6
128.06227	3.6
129.07013	4.6
131.08574	8.6
132.16399	3.6
133.06474	16.9
133.10132	10.2
135.08043	5.8
135.11723	15.2
137.05978	70.0
137.09645	3.6
137.13278	10.6
142.07816	8.9
143.08530	9.1
144.09380	5.7
145.10136	12.5
147.08145	4.5
147.11687	9.1
149.05946	4.2
149.13290	17.7
151.07561	42.8
151.14833	7.4
153.05475	7.2
155.07133	5.8
155.08594	5.0
157.10092	17.6
158.07251	4.4
159.11681	39.6
161.09602	6.8
163.14864	10.3
165.09111	5.5
165.16423	7.9
167.07019	7.7
169.10115	7.3
171.08031	19.7
171.11728	10.6
172.08839	6.3
173.09636	34.8
173.13199	4.0
175.11185	13.1
177.09106	9.6
179.17889	6.0
183.11586	4.7
185.09637	40.2
187.11157	41.8
189.09218	8.9
189.12698	5.2
191.10768	7.5
193.08618	21.4
193.19539	3.9
199.11179	9.5
199.14819	5.8
201.12831	7.3
203.10698	21.3
205.12294	7.2
213.09079	3.8
215.14346	7.3
217.12306	9.6
219.13890	6.9
227.10696	3.8
227.14349	3.8
229.12144	7.0
245.15312	3.4
249.25909	8.1
255.17549	4.5
273.18359	3.5
275.27307	34.9
315.30392	6.8
333.31497	5.5
381.31638	28.2
395.33029	15.8
399.32480	16.9
413.34201	9.5
417.33466	6.1
423.32700	8.3
441.33643	24.1
459.34653	34.6
477.35532	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	478.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13726	1.1
53.03949	3.1
55.01877	2.1
57.03444	4.4
61.02934	10.3
68.68817	1.1
69.03441	16.0
71.04996	2.2
73.02935	3.6
81.03435	6.8
85.02912	95.9
85.06598	1.6
86.06918	1.4
87.04482	2.4
91.03964	6.9
91.05480	16.6
97.02898	31.8
99.04488	4.6
103.03947	2.7
109.02895	8.8
116.86030	1.5
119.04958	11.6
119.92809	1.2
127.03932	22.4
127.07573	1.3
135.04434	2.1
137.05986	100.0
138.06367	1.2
143.75603	1.2
145.04973	50.9
147.04408	1.5
149.05908	2.2
153.01822	9.4
154.02191	4.3
163.06027	18.9
163.07394	1.4
167.03418	10.6
168.03720	8.1
185.04482	1.8
196.16882	1.2
199.07420	1.3
214.82176	1.3
266.07425	1.2
363.31357	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	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.36436	0.4
53.03941	0.6
55.01873	0.8
55.05266	0.8
55.05512	10.0
57.03177	0.6
57.03437	6.5
57.07064	1.7
60.97239	0.3
62.06067	0.5
65.03938	0.7
67.05503	22.1
69.07066	13.0
70.30090	0.3
71.04987	0.7
71.08627	1.0
73.88596	0.4
77.93922	0.4
79.05485	5.5
81.03416	0.3
81.07054	22.6
83.04982	0.7
83.08615	8.0
85.06496	0.6
85.10127	0.4
86.62134	0.4
91.05466	4.6
93.07046	6.6
95.04935	1.0
95.08604	17.4
97.06525	2.2
97.10160	3.7
98.12447	0.4
98.22707	0.7
98.98478	0.4
99.08114	0.7
104.21503	0.4
105.07027	3.0
107.08595	3.5
109.10157	6.6
111.08082	0.8
111.11746	0.4
119.08566	2.4
121.10137	3.3
123.11687	2.6
124.01599	0.8
125.09631	0.4
133.10130	2.5
135.11697	1.4
137.09645	0.5
137.13257	0.6
147.11670	2.0
149.13290	1.0
151.14848	0.6
153.12839	0.4
158.14932	0.4
161.13284	1.0
163.14886	0.5
175.14835	0.9
204.24037	0.4
212.52263	0.3
216.06429	0.6
245.59436	0.4
263.23544	1.0
306.27863	2.1
337.27353	100.0
338.27670	3.4
394.30908	0.4
478.29401	0.7
479.29639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05514	9.6
57.03439	3.8
57.07079	1.9
58.47131	0.8
62.05772	1.8
62.06091	30.8
65.03931	0.9
67.05507	29.0
69.07071	13.5
69.92672	1.8
70.06590	1.0
79.05501	7.6
81.07056	24.2
83.04991	1.2
83.08613	6.7
85.06544	1.1
91.05465	4.3
93.07045	7.5
95.04977	0.9
95.08605	20.2
95.09215	1.3
97.06551	1.3
97.10159	2.9
98.06075	0.9
98.98473	6.5
99.55292	0.7
105.07044	2.8
107.08580	5.3
109.10159	7.6
119.08572	2.9
121.10163	2.9
123.11691	3.2
124.01607	1.8
125.09653	0.9
133.10127	3.2
135.11728	1.8
137.13203	1.7
142.02670	1.0
147.11694	1.8
149.02332	1.1
149.13344	1.3
151.14786	1.0
155.01039	6.9
161.13208	1.2
163.14845	1.8
173.02116	2.0
174.15918	0.8
198.05246	2.1
216.06335	3.0
236.53311	0.9
245.22585	2.8
263.23691	7.6
273.77203	0.8
306.27921	14.7
319.26395	1.0
337.27368	100.0
338.27771	3.2
417.23914	1.7
460.28259	5.5
478.28961	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	479.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69641	2.4
65.98201	2.5
71.20727	2.4
73.77608	2.2
85.02924	3.4
94.93025	38.1
98.97607	4.6
136.94037	93.5
148.94038	17.9
153.01889	4.0
154.94183	4.8
166.95103	37.4
172.95219	3.0
184.51572	2.4
196.95055	24.9
206.88683	6.7
214.96388	8.5
220.96243	2.9
221.05008	2.5
226.96329	9.1
229.03957	5.1
245.05154	6.3
247.04961	2.6
248.89659	62.9
256.98032	23.6
262.70673	2.3
268.98203	4.1
298.98413	4.5
316.99399	2.9
349.08170	3.1
381.07968	100.0
382.08273	3.3
419.03568	79.9
456.34155	2.4
479.05170	4.3
479.12115	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	479.1553
Annotation	Pilosidine
Peak:m/z	Relative Intensity
55.05523	2.1
57.03446	1.6
65.03931	1.3
67.05524	1.5
69.47137	6.2
69.77685	1.6
71.05004	3.4
79.05486	3.1
81.03413	12.2
81.07063	3.9
85.02927	1.8
85.05444	1.3
91.05486	19.4
93.07048	2.4
95.04956	3.0
95.08634	3.2
105.07056	1.6
107.08575	1.7
109.02928	1.9
119.04946	30.6
119.08609	2.6
121.10172	1.6
146.03728	1.3
147.04407	25.9
149.02367	1.4
157.04008	2.8
163.11150	1.5
175.03920	46.1
179.07072	2.6
192.43808	1.5
193.12260	5.1
207.06528	100.0
208.06915	1.2
229.46429	1.5
267.15973	3.0
283.15375	1.5
285.16937	2.8
351.10794	7.6
369.11868	5.6
393.24612	7.8
479.18683	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	479.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57335	0.3
53.22068	0.4
55.05527	0.4
67.05513	0.7
69.03418	0.4
69.07060	0.7
69.36146	1.5
70.06609	0.4
71.05009	1.1
79.05505	1.0
81.03415	2.5
81.07078	1.5
82.88741	0.4
83.04995	0.5
83.08635	0.4
85.02917	2.1
86.09763	0.4
91.05459	0.6
93.07048	0.8
95.04984	1.4
95.08605	0.9
97.02867	0.4
97.06558	1.4
105.07092	0.6
107.04980	0.4
107.08646	1.0
109.10177	0.5
111.08107	0.5
117.07074	0.4
119.08620	1.1
121.06284	1.2
121.10165	0.5
129.05530	0.5
133.10146	0.6
135.11717	0.9
145.10114	0.4
147.11749	0.7
148.12048	0.4
151.07576	0.5
153.01878	0.5
169.04733	0.8
193.12305	1.1
225.10971	4.0
253.92967	0.4
267.16049	1.2
285.17130	1.2
302.04587	0.5
317.03082	1.3
317.06689	2.1
331.09988	3.8
353.16180	0.6
369.15103	2.3
410.85495	0.4
479.19067	100.0
480.19382	4.0
483.70520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01874	4.0
55.05514	20.3
57.03442	12.7
57.07089	2.5
65.03950	2.9
66.38798	0.9
67.05509	61.8
67.32928	1.0
69.03436	4.0
69.07074	19.1
71.05002	9.6
71.08640	1.0
77.03941	2.0
79.05498	43.3
79.05946	2.5
81.03424	41.8
81.07062	83.3
83.04984	12.3
83.08624	22.7
83.09096	1.7
85.02913	18.7
85.06554	4.8
87.04498	1.4
91.05488	38.9
93.07048	47.5
95.04974	33.5
95.08610	21.2
97.02903	2.0
97.06546	9.9
97.10198	4.4
98.22780	5.4
98.23496	2.6
99.08105	2.2
105.04553	2.0
105.07037	24.4
105.07728	1.6
107.04964	7.7
107.08598	24.6
109.06522	5.6
109.10178	5.1
111.04488	2.0
111.08082	13.0
113.06027	2.3
115.05502	1.4
117.07027	7.9
119.08597	16.7
121.06539	4.7
121.10152	16.5
121.10966	1.2
123.08086	3.0
123.11703	5.4
125.09595	1.4
129.07021	6.5
131.08582	16.3
133.06560	1.3
133.10127	18.0
135.08034	2.7
135.11691	9.5
137.09665	1.2
141.07011	1.3
142.07806	2.0
143.08626	1.3
145.10117	2.3
147.08105	3.0
147.11726	10.7
149.09645	4.4
149.13257	16.8
151.11270	1.7
157.10159	8.8
159.11713	8.5
163.11171	1.5
165.12785	2.3
171.11650	1.2
175.11165	8.9
177.12796	4.3
193.12256	43.2
193.13918	2.4
194.12566	1.0
194.60657	1.2
195.13821	15.4
195.15605	1.6
211.13304	53.4
213.14864	1.5
219.13835	2.1
249.14871	1.3
249.69713	1.2
267.15863	6.7
269.17679	4.7
275.42538	1.1
293.17645	1.2
307.31082	1.4
343.22665	1.4
361.33533	1.3
369.24417	4.4
387.25360	4.6
417.26849	1.2
435.27774	2.3
443.28076	1.2
461.28897	10.3
479.30249	100.0
480.15045	1.1
480.30515	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01875	4.6
55.05509	21.2
56.99492	0.9
57.03441	10.9
57.07076	2.2
59.05009	1.6
65.03941	3.1
67.05505	67.0
69.03431	3.7
69.07067	19.9
69.82294	1.7
69.82635	1.8
71.04998	7.2
77.03918	1.6
79.05494	48.1
81.03036	0.8
81.03419	47.0
81.07056	79.5
83.04984	17.6
83.08619	24.7
85.02907	22.2
85.06551	4.4
91.05478	38.6
93.07043	56.6
95.04971	29.5
95.08601	21.9
97.02872	1.5
97.06534	11.3
97.10147	4.9
98.22773	1.8
99.08114	3.0
103.05469	1.2
105.04538	1.4
105.07024	23.8
107.04981	5.9
107.08593	27.4
109.06537	6.7
109.10143	4.6
111.04424	2.3
111.08081	12.6
113.06028	3.1
115.05437	0.9
117.07053	5.3
119.08579	16.2
121.06513	2.8
121.10134	18.6
123.08074	2.6
123.11734	3.8
124.88797	0.9
125.09637	2.0
129.06998	7.8
131.08569	14.9
133.06511	2.8
133.10124	11.8
135.08086	2.2
135.11696	6.6
137.09619	1.2
142.07796	2.1
147.08023	2.3
147.11700	12.5
149.09633	4.9
149.13258	25.6
151.11241	1.6
157.10130	10.0
159.11682	10.7
165.12770	2.7
175.11180	11.5
177.12796	4.5
193.12236	43.2
195.13829	8.5
211.13287	54.0
219.13861	1.7
267.15915	7.2
269.17517	6.9
280.57184	1.0
343.23196	1.1
355.06662	1.2
369.24387	2.0
387.25113	3.3
427.70169	1.3
443.27728	1.0
461.29007	12.5
479.30084	100.0
480.30295	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62956	2.3
53.03946	2.2
54.85699	2.4
55.01866	7.1
55.05511	38.3
57.07078	22.0
67.05506	25.8
69.07071	62.8
71.04997	20.2
71.08627	11.8
79.05493	16.0
81.07057	81.8
83.08627	41.4
85.10168	6.3
91.05486	6.5
93.07030	12.4
95.04961	5.1
95.08609	63.9
95.84772	2.0
96.11716	2.1
97.06524	3.3
97.10175	34.6
98.22675	3.8
98.56174	2.2
99.04461	11.5
105.07031	7.2
107.04974	4.0
107.08607	10.4
109.06502	11.4
109.10159	41.7
111.04422	2.6
111.11726	20.1
113.06021	3.7
119.08575	6.8
121.10176	11.5
123.08095	3.5
123.11718	19.7
125.05991	78.6
125.13281	5.8
127.03909	25.9
131.08614	3.6
133.10126	4.6
135.08006	3.5
135.11682	7.9
137.05983	100.0
137.13289	12.1
139.07539	12.8
143.08571	2.7
145.10031	3.8
147.08022	3.6
147.11682	4.5
148.13405	2.1
149.06006	6.4
149.09589	5.6
149.13258	4.5
151.07553	10.7
151.14833	5.4
157.10121	3.5
159.11658	4.5
161.09642	5.3
161.13245	6.5
163.14807	4.1
165.05495	2.8
165.09096	4.8
165.16457	3.0
166.14363	2.1
167.07039	46.7
167.08334	4.2
171.11687	6.5
172.82405	2.1
173.09686	2.7
173.13254	2.9
175.11168	5.0
175.14807	2.7
177.09116	18.7
177.12769	3.4
179.07022	5.5
179.17935	2.6
185.13281	3.0
187.11159	4.1
189.12845	2.8
191.17967	3.1
193.08615	3.4
193.12303	4.4
198.10466	3.4
201.12831	2.6
205.12184	3.0
205.16017	2.3
213.12747	5.6
231.13843	2.5
233.15453	3.1
283.29892	4.2
301.51389	2.3
317.32214	3.6
335.32886	3.5
383.32855	2.7
397.34610	4.9
401.34070	4.9
415.35806	4.3
425.33994	8.9
443.35431	12.3
461.36090	17.5
479.37555	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.6
55.05510	27.7
57.07072	21.3
67.05505	23.0
69.06709	3.5
69.07072	55.6
69.27917	3.9
69.28313	9.4
71.04994	23.4
71.08631	15.4
79.05486	10.9
81.07059	77.0
83.04959	2.6
83.08620	37.9
85.06540	2.8
85.10191	6.8
89.06046	3.6
93.07043	13.2
95.08609	54.1
97.10168	34.2
98.22654	3.8
99.04464	6.8
99.11726	2.0
105.07016	4.0
107.04940	3.2
107.08611	7.2
109.06513	14.9
109.10160	41.6
111.04395	5.5
111.08089	3.8
111.11720	20.1
113.06007	3.7
119.08597	2.4
121.10186	10.1
123.11713	25.3
125.05994	79.5
125.13273	6.6
127.03915	26.4
131.08629	3.7
133.10107	3.6
135.08078	3.5
135.11684	7.1
137.05983	100.0
137.13229	13.4
139.14801	2.5
143.08531	3.2
145.10139	3.2
147.11633	3.5
149.09642	2.0
149.13208	3.1
151.07561	8.4
151.14789	4.9
157.10136	4.4
159.11691	5.9
161.09621	3.3
161.13261	5.1
163.14903	3.8
165.09137	3.0
165.16382	2.9
167.07057	40.9
169.10176	2.4
171.11726	6.9
173.13235	3.1
175.11191	4.2
177.12733	2.7
177.16461	3.3
179.07007	2.4
187.11261	3.8
189.12775	2.6
193.12268	3.9
195.14153	2.7
198.10416	4.1
198.65807	2.2
201.12764	3.7
205.12125	2.4
207.21062	3.7
213.12759	6.5
215.14282	2.8
219.13805	5.5
235.13341	3.2
235.17058	2.5
317.32056	4.1
335.32959	12.2
353.34286	2.5
378.52423	2.0
378.60492	2.2
383.33090	6.0
397.34793	5.3
401.34103	6.4
419.35217	5.1
425.34009	4.7
443.34906	5.4
461.36163	7.2
479.37207	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	480.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.9
57.03437	10.3
58.50079	0.7
61.02920	1.1
69.03425	2.6
69.86901	1.5
70.26459	0.7
71.04993	72.7
73.02909	2.5
73.21557	0.7
75.04475	5.2
81.03414	0.9
83.04983	9.4
85.02905	100.0
87.04476	1.7
97.02882	4.8
99.04430	2.0
101.06023	0.9
111.04473	4.8
123.04365	0.8
126.75486	0.7
127.03925	3.2
129.05481	44.9
137.02350	6.2
138.41656	0.8
145.04970	2.4
146.08105	1.3
146.25836	0.6
147.05345	1.5
147.06528	29.4
153.01855	1.4
155.03371	9.7
159.20201	0.8
164.09204	6.6
182.79796	0.7
250.03737	0.7
255.08591	1.2
273.36554	0.7
380.28082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69099	2.3
69.03432	6.2
79.05457	2.8
81.03422	2.8
81.07075	4.3
85.02915	16.7
91.05492	4.1
93.07062	6.0
97.02904	7.2
98.23320	9.4
103.05444	4.1
107.04967	7.9
115.05428	1.8
117.07034	5.4
121.06515	29.2
123.04447	24.7
131.04929	3.0
133.06509	2.1
135.08110	2.9
137.05992	11.2
145.04898	2.8
145.06534	23.2
145.10117	4.7
147.08061	6.3
149.05998	54.7
150.06773	4.9
158.07297	3.7
173.09642	33.7
174.37582	2.0
195.08044	3.2
197.03831	2.2
237.12834	2.6
255.10356	3.2
265.12418	3.2
283.13309	100.0
495.85010	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	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.05519	2.4
57.03439	23.2
57.07092	2.0
59.84779	1.9
60.04520	1.7
61.02927	7.0
64.83834	1.8
67.05507	5.2
69.03429	23.6
69.07069	6.7
70.33456	4.7
71.01357	4.1
71.05006	3.8
73.02921	53.7
79.05505	3.0
81.03417	4.4
81.07063	17.2
85.02904	38.0
87.04475	2.4
93.07069	2.6
95.08620	4.9
95.58039	1.7
97.02892	40.9
97.03496	3.2
107.08627	4.3
109.06477	2.3
109.10161	5.0
115.03935	33.9
123.11712	35.9
127.03892	9.5
133.04976	8.3
140.10677	2.5
144.06520	2.5
145.04984	10.3
150.07695	1.9
151.07629	2.7
151.11177	100.0
153.01840	5.5
153.09082	3.6
163.05986	4.4
169.12230	38.8
171.11761	2.8
212.32706	2.2
223.06046	4.4
241.07114	5.0
259.08197	3.7
265.18018	6.0
283.15530	5.1
283.18982	2.6
294.11938	2.4
295.10104	2.9
335.23041	2.8
426.32190	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
57.03438	19.5
57.07073	2.1
59.05014	1.4
60.54170	0.7
61.02926	3.9
67.05504	4.4
69.03433	16.0
69.07069	6.0
69.30924	2.7
69.31339	1.3
71.01360	2.8
71.04996	24.9
73.02920	32.3
75.04472	1.3
75.36778	0.8
79.05495	6.0
81.03425	2.8
81.07059	100.0
82.07375	1.0
83.05003	3.5
83.59765	0.7
85.02905	51.9
86.39462	0.7
87.04478	2.3
91.03944	0.8
91.05476	0.9
93.07038	1.4
95.04975	1.1
95.08611	12.9
97.02898	26.8
99.04438	1.3
100.62562	0.8
103.03954	1.2
105.07003	1.2
109.02875	1.4
109.06514	3.1
109.10138	5.1
111.04471	2.3
115.03134	1.2
115.03932	21.0
119.08553	0.9
123.11708	61.1
124.12022	0.8
127.03922	9.0
129.05492	15.5
133.04990	8.1
133.10214	1.2
137.13254	22.4
144.06546	2.0
145.04955	9.5
146.08127	1.1
147.06546	7.5
151.11188	20.9
162.07661	1.3
163.06046	3.1
164.09229	3.2
165.07643	0.9
169.12241	28.6
180.08719	1.2
196.91835	0.7
223.06084	1.6
241.07173	2.4
247.13211	0.9
259.08160	2.2
274.97787	0.8
380.95862	0.8
480.22238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.0
55.05510	11.3
57.03427	14.8
59.04979	4.8
64.48679	4.4
65.03951	5.2
67.05511	25.7
69.03423	11.0
69.07061	15.0
71.04981	10.7
71.22594	7.3
71.22955	5.7
79.05491	22.6
81.03410	10.9
81.07057	52.4
83.04989	7.9
83.08609	9.8
85.02901	17.8
85.06528	9.0
91.05482	14.4
93.07040	74.1
95.04970	10.6
95.08609	67.8
97.02879	8.7
97.06529	20.7
98.22898	5.0
99.04459	9.9
105.07012	25.6
107.04926	9.7
107.08598	41.9
109.06506	17.6
109.10149	51.1
111.08070	24.2
113.09645	80.3
117.06994	4.6
119.08572	19.8
121.06464	11.8
121.10143	29.7
123.08077	10.2
123.11704	15.3
125.05975	12.5
125.09579	7.1
127.07540	10.7
127.11193	5.5
129.09076	9.0
131.08548	10.8
133.10121	18.0
135.08061	6.5
135.11705	10.4
137.09628	8.4
139.07536	47.0
143.06998	12.3
145.10120	16.4
147.08020	5.9
147.11606	22.8
148.07535	19.7
149.09628	6.4
149.13261	34.2
153.01823	100.0
153.02962	3.7
154.33972	5.2
157.04988	8.7
157.08603	55.0
159.11688	8.1
161.13257	6.5
163.11098	5.4
167.03389	65.8
173.13176	6.8
177.05525	6.7
177.16357	20.8
185.65544	4.2
187.14847	11.8
195.17328	6.9
203.17906	18.4
205.15874	6.6
219.17528	5.1
221.18999	11.2
223.16956	17.0
229.15874	13.7
239.20023	13.5
247.16934	42.0
265.17950	50.7
283.15344	19.8
283.18973	19.7
301.20096	21.9
318.11600	10.9
378.70853	10.9
379.21277	6.1
387.71112	6.3
457.36304	4.3
482.98859	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	8.1
55.01857	8.7
55.05512	19.5
57.03445	24.7
59.05029	5.4
61.02916	6.5
67.05508	24.9
69.03442	6.9
69.07072	18.7
69.53513	11.3
69.53893	10.4
71.05000	13.7
79.05501	31.0
81.07060	60.5
83.04975	7.7
83.08623	20.7
85.02878	25.3
85.06537	18.4
90.32207	5.4
91.05497	23.9
93.07056	73.6
95.05003	11.2
95.08620	75.8
97.02931	6.3
97.06544	18.2
99.04482	6.8
99.08112	8.3
105.07035	34.5
107.04949	6.7
107.08598	48.9
109.06523	28.4
109.10156	46.4
111.08102	32.9
113.09653	89.4
119.08598	29.9
121.06533	11.7
121.10175	49.5
123.08096	13.1
123.11714	18.2
125.06046	11.7
125.09651	7.6
129.09117	13.0
131.08626	9.5
133.06581	8.1
133.10164	20.5
135.08044	7.2
139.07526	60.1
139.70570	6.3
143.03398	7.5
143.07103	9.7
145.10129	23.1
147.08128	6.4
147.11714	26.6
148.07524	27.0
149.09644	6.6
149.13271	43.6
149.85568	5.3
151.07555	7.0
151.11154	6.8
153.01842	100.0
153.03058	6.6
155.10637	9.8
157.08623	60.9
159.11676	15.3
161.13309	9.4
163.11188	9.0
163.14854	9.3
164.07204	6.2
167.03419	54.3
171.11783	6.6
173.13281	10.2
177.05557	9.5
177.16388	17.3
187.14853	16.2
191.10663	6.9
191.14365	12.2
201.16521	7.8
203.17984	22.1
205.15929	16.1
211.14856	6.0
221.19095	15.4
223.16965	19.3
229.15895	20.7
239.20085	18.1
247.17021	41.3
254.93243	6.3
265.18036	57.0
283.15533	27.5
283.19125	34.6
299.10385	6.9
301.20023	30.5
318.11685	12.0
378.70837	11.3
379.20889	7.3
393.30344	7.9
398.69452	5.3
502.84976	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01855	0.5
55.05513	1.6
57.03438	15.8
57.07070	1.5
59.04998	1.5
60.04518	0.5
61.02927	4.0
67.05505	4.9
69.03430	13.5
69.07066	3.9
71.01359	2.1
71.04993	24.8
71.17241	0.4
73.02917	28.1
75.04468	1.3
79.05495	7.3
81.03423	2.0
81.07056	100.0
82.07355	1.1
83.04980	2.9
85.02903	49.8
86.03291	0.7
87.04473	2.0
91.03949	0.7
91.05468	0.8
93.07052	1.2
95.04985	1.2
95.08607	12.2
95.23154	0.5
97.02895	25.4
98.03249	0.5
99.04460	1.1
105.07041	0.9
107.04974	0.7
107.08598	1.1
109.02877	1.5
109.06521	1.7
109.10161	4.7
111.04443	1.7
115.03932	17.2
121.06506	0.6
121.10146	1.1
123.04474	0.6
123.08105	0.8
123.11703	52.2
124.12034	0.6
127.03915	7.0
129.05479	14.3
133.04973	5.5
133.10165	1.2
137.05963	0.4
137.13251	20.9
144.06560	1.1
145.04944	7.9
146.08102	0.6
147.06523	6.5
147.11723	0.8
151.07581	0.5
151.11182	16.9
153.01802	0.6
162.07642	0.9
163.06013	2.2
164.09183	2.9
166.45682	0.4
169.12242	22.7
170.12653	0.6
180.08705	0.7
223.06012	1.7
241.07063	2.0
251.67349	0.6
255.08670	0.5
259.08197	1.6
294.11807	0.6
366.97284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58087	0.8
53.03955	2.3
55.05513	3.5
57.03442	14.1
57.07085	2.7
61.02936	2.8
67.05508	5.7
69.03440	6.8
69.07078	8.8
69.25555	3.0
71.01376	1.2
71.05000	57.6
73.02918	10.4
75.04487	4.9
79.05499	9.5
81.03423	1.5
81.07065	100.0
83.04990	7.3
85.02915	89.4
85.03661	1.1
87.04483	2.0
93.07039	2.6
95.08614	21.4
97.02895	10.6
98.23054	3.8
99.04453	1.9
103.03929	1.1
104.31377	0.7
107.08594	1.3
109.02878	1.7
109.06502	0.8
109.10163	3.4
111.04440	5.1
115.03941	5.9
121.10169	1.4
123.08012	0.7
123.11713	8.4
127.03915	6.3
129.05492	37.9
133.04964	1.2
135.11653	1.1
137.13266	25.1
145.04979	6.1
146.08171	1.4
147.06546	23.3
151.11186	6.4
163.06129	1.1
164.09196	8.8
165.07684	1.0
235.55571	0.8
255.08612	1.4
273.09723	2.0
283.15472	1.0
309.11942	1.7
415.33078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0977
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
50.01599	0.3
51.02370	1.3
53.10612	0.2
55.01873	0.6
55.55552	0.2
57.03423	0.4
68.99805	0.3
69.03432	0.4
69.28275	0.7
79.01387	0.4
79.01852	7.6
79.05467	0.4
81.03450	0.2
85.02911	4.0
90.87978	0.2
91.05507	0.2
95.26853	0.2
97.02889	1.6
103.03932	1.0
103.05471	0.4
107.01309	1.9
107.04965	0.4
109.02883	0.4
115.05465	0.2
119.04922	0.3
120.02068	0.2
121.02864	0.4
123.00818	0.3
125.02345	3.8
125.05970	0.4
127.03906	0.4
131.04938	0.9
133.02850	1.2
135.04355	0.2
138.03123	0.6
143.03395	7.6
147.04419	0.7
149.02353	0.3
150.03117	1.1
151.03911	0.7
153.01825	100.0
153.02907	6.6
154.02158	1.2
159.04402	1.5
161.05946	0.2
162.03107	0.5
163.03905	0.3
165.05484	0.5
166.02599	0.7
167.03377	0.3
171.02971	0.3
171.04410	0.4
173.02292	0.3
175.03911	0.9
176.04684	1.1
177.01820	3.1
177.05397	0.9
178.02621	0.4
179.03424	1.2
180.00497	0.4
181.04956	8.4
186.03061	0.2
187.03862	1.5
190.02570	0.6
191.03380	2.1
191.07007	0.3
192.04111	0.7
193.04976	1.5
193.06499	0.2
194.02095	1.1
195.02879	1.3
197.04456	1.4
199.03964	1.2
201.05408	0.3
203.03493	0.4
204.04189	1.5
205.04958	3.3
206.02072	0.7
206.05501	0.2
207.02924	0.4
207.06529	0.3
209.04462	6.7
213.03938	1.4
215.03394	0.9
216.04190	0.4
217.04790	0.2
218.02084	0.4
219.02884	0.7
219.06500	1.9
221.04485	2.4
223.05971	0.6
229.04971	0.9
231.02817	0.4
232.03664	0.7
233.04431	3.5
235.06087	0.5
237.03922	0.5
243.02975	0.7
247.06004	3.7
249.04042	0.4
251.05484	2.9
255.04977	1.8
257.04495	0.7
260.03137	1.3
263.05460	2.9
275.05487	8.6
281.06479	0.4
293.06549	6.3
311.07639	1.7
445.07773	0.4
463.08295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02390	0.7
53.03965	0.2
55.01872	1.4
55.05503	0.2
57.03436	0.3
59.30798	0.2
65.03946	1.0
68.99806	0.4
69.03434	3.4
69.11914	1.1
71.01366	0.5
79.01860	5.4
79.05484	0.2
81.03429	1.3
83.01369	0.2
83.04977	0.4
85.02916	1.3
87.04483	0.3
89.03940	0.3
91.05502	0.8
95.01343	0.2
95.04971	0.2
97.02903	1.6
98.22601	0.4
98.23267	0.9
99.04465	1.0
103.05460	0.5
105.03384	0.2
105.07072	0.2
107.01312	1.9
107.04957	0.9
109.02875	1.5
111.04466	0.5
115.05471	0.6
117.07035	0.2
118.04172	0.2
119.04954	2.3
121.02855	0.5
121.06550	0.3
123.00785	0.2
123.04390	0.3
124.01540	0.3
125.01519	0.2
125.02349	3.8
127.03916	0.8
131.04938	2.5
133.02885	1.1
133.06454	0.3
134.03616	0.5
135.04446	0.7
136.01486	0.3
137.02275	0.3
137.05957	0.4
138.03151	0.8
139.03928	0.4
143.03403	6.9
145.02850	0.6
146.03632	0.5
147.04419	3.7
149.02370	0.7
149.05974	0.5
150.03113	1.8
151.03917	2.6
152.01070	0.9
153.01837	100.0
153.02910	5.6
153.05312	2.7
154.02127	1.3
157.03006	0.3
157.04974	2.8
159.04443	4.0
161.02353	0.4
161.06006	0.8
162.03110	3.4
163.03911	4.0
164.04692	0.5
165.01851	0.5
165.05537	0.8
166.02565	0.5
167.03406	25.4
168.03775	0.5
171.02953	0.5
171.04375	0.4
173.02325	0.8
173.05975	0.3
174.03104	0.4
175.03923	4.1
176.04704	2.0
177.01901	0.8
177.05455	2.9
178.02618	2.8
179.03403	3.9
179.07014	0.6
180.00555	3.1
181.04977	1.2
182.02101	0.6
183.97763	0.2
185.02417	0.4
186.03162	0.4
187.03883	1.9
189.01807	0.2
189.05508	0.5
190.02625	2.3
191.03404	12.5
191.07022	0.9
192.04176	1.5
193.01363	0.5
193.04979	4.3
194.02142	0.6
195.02907	10.7
195.06538	0.7
197.04453	6.9
199.03893	1.1
201.01889	0.3
201.05481	0.4
202.02614	1.8
203.03394	0.7
203.07033	0.2
204.04172	1.6
205.04977	9.5
206.02100	0.7
206.05490	0.3
207.02898	1.1
207.06490	2.5
208.03650	0.6
209.04474	4.4
211.02374	0.8
215.03416	2.5
216.04117	0.6
217.04970	1.9
218.02051	0.9
219.03046	1.4
219.06520	4.1
220.03700	0.7
221.04463	3.4
223.02548	1.4
223.06000	4.1
225.03966	1.0
227.03432	0.8
229.04984	0.6
230.02104	0.9
231.02888	0.3
232.03665	0.7
233.04446	14.4
234.04869	0.4
235.06012	3.2
237.03938	0.8
243.02805	0.5
245.04468	3.8
247.06003	7.2
249.03954	0.5
251.05522	13.4
252.05753	0.4
255.05009	1.1
257.04379	1.1
260.03052	0.3
263.05524	26.4
264.05844	0.8
265.07092	0.6
275.05521	6.7
281.06549	2.4
293.06561	5.2
311.07614	3.9
401.67123	0.2
463.08499	0.6
481.09930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0988
Annotation	11-o-Galloylbergenin
Peak:m/z	Relative Intensity
50.01590	0.4
51.02375	0.8
53.03957	0.3
55.01868	0.6
55.05501	1.0
57.03421	0.3
57.24889	0.2
65.03635	0.3
65.03946	2.7
67.05492	0.5
69.03442	4.9
69.07058	0.5
71.01352	0.4
71.04977	0.6
73.23397	0.2
79.01862	5.3
79.05489	0.5
81.03423	2.0
81.07066	1.2
83.04977	0.8
85.02895	0.9
85.06545	0.4
88.45564	0.2
91.05462	0.7
92.39270	0.2
93.03407	0.9
93.07021	0.3
95.04956	0.5
95.08582	0.5
96.02094	0.4
97.02901	1.8
97.06536	0.4
99.04475	0.4
99.08073	0.3
105.07006	0.5
107.01324	1.3
107.08601	0.9
109.02901	1.1
109.06570	0.3
109.10188	0.3
111.04440	1.2
117.13322	0.2
119.08598	0.4
120.08080	0.4
121.02848	0.2
123.08075	0.5
124.01575	0.7
125.02361	3.7
125.09622	0.5
127.03938	2.4
131.04904	0.2
131.08534	0.3
133.10150	0.3
135.08069	0.3
135.11664	0.4
137.02354	0.9
139.03847	0.3
143.03410	6.7
145.10112	0.7
147.11621	0.2
151.11165	0.5
152.01070	2.8
153.01845	100.0
153.02919	5.3
154.02136	1.3
155.14284	0.3
157.04984	7.3
159.04439	0.3
163.03880	0.4
163.11205	0.3
165.12741	0.7
167.03409	81.8
168.03758	1.3
169.12308	0.3
171.02861	0.4
173.09625	0.3
173.15388	0.4
177.05482	0.5
179.03444	0.3
181.05003	0.7
187.04044	0.3
190.02460	0.3
191.03453	1.2
191.10742	0.2
193.05017	0.4
194.02161	0.4
197.04500	0.4
204.04338	0.2
205.04980	0.8
209.04448	2.1
213.03937	1.5
219.06523	0.3
221.04489	0.7
223.06110	0.3
233.04486	0.9
247.06093	0.7
247.16919	0.5
249.14915	0.3
251.05505	2.8
263.05508	0.7
275.05511	1.8
293.06461	1.5
297.06131	0.7
311.07645	0.9
371.17047	0.4
371.22153	0.7
427.28644	0.4
445.29611	0.4
463.08661	1.3
463.18933	0.3
481.20557	44.1
482.20883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2052
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
53.72474	0.4
55.05513	0.7
61.71043	0.4
63.39925	0.4
65.44221	0.4
65.71310	0.4
67.05508	0.6
69.03423	0.6
69.34537	1.5
71.05006	1.9
71.08626	0.9
73.49677	0.4
74.48180	0.4
75.04503	0.3
81.07069	0.8
83.05007	0.7
85.02907	2.6
90.57237	0.4
91.05544	0.6
91.63300	0.4
93.07086	0.5
95.08612	0.5
97.10168	0.5
99.08106	1.6
107.08602	0.5
113.61182	0.4
129.05492	0.7
142.71265	0.4
153.01866	1.2
178.99284	0.4
481.20477	100.0
482.20886	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	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.8
58.19656	6.5
67.05519	15.3
69.03456	11.2
69.07066	19.8
70.83580	7.5
71.05011	14.8
71.56482	8.0
76.90023	7.8
79.05499	22.7
81.03421	9.6
81.07056	44.9
83.05003	16.2
83.08639	14.0
85.02897	20.4
85.06538	11.2
91.05473	19.0
93.07054	54.7
95.04982	15.1
95.08615	49.2
97.02901	9.5
97.06541	35.2
101.06004	6.6
105.07041	32.5
107.08585	27.9
109.06523	22.8
109.10162	10.0
111.08099	20.8
119.08591	27.9
121.06542	37.3
121.10126	14.4
123.11670	17.0
125.05994	25.3
127.07560	16.7
133.10158	21.8
135.08102	9.0
135.11758	9.8
139.07556	25.6
143.07050	16.5
145.10207	8.6
145.30850	6.7
147.11684	56.4
148.07466	7.7
149.13261	7.8
151.11295	7.0
153.01779	12.9
153.07001	16.1
153.12817	8.6
157.08597	21.6
157.10120	15.9
159.06555	9.5
161.13268	12.4
165.12770	18.1
171.11597	14.8
173.08156	8.2
173.09578	10.2
175.11227	59.0
189.12717	38.9
193.12277	37.9
199.11237	15.9
207.13716	15.6
211.13304	12.2
214.05519	7.2
217.12253	56.5
225.14854	12.2
235.13281	67.1
243.15866	10.7
249.14917	15.7
253.14374	100.0
267.13431	10.6
267.15930	57.1
271.15439	8.9
281.09332	10.3
285.16986	83.6
303.13135	11.5
303.18024	30.7
321.99588	8.9
359.12372	25.0
482.20282	24.1
483.13141	6.3
483.15540	8.2
483.21786	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80640	0.7
55.01868	0.9
55.05507	5.0
57.03437	6.1
61.02910	1.7
62.50806	0.7
67.05194	0.9
67.05504	7.9
69.03421	3.3
69.07063	2.4
70.11052	1.4
71.04979	1.7
79.05502	8.3
81.03418	26.1
81.07059	9.6
81.30339	0.7
83.04974	4.9
83.08621	9.9
85.02914	11.1
88.87434	0.8
91.03963	0.8
91.05483	10.4
93.07057	6.7
95.04965	8.6
95.08601	3.7
97.02894	2.5
97.06512	1.4
97.10164	1.0
102.12601	0.7
105.07015	7.5
107.04947	2.0
107.08593	2.9
109.06501	2.6
109.10162	1.1
111.04446	1.1
111.08105	4.3
117.06984	0.7
119.08572	7.7
121.06480	1.5
121.10149	4.0
123.08083	1.2
129.07013	3.6
131.08595	4.1
133.06456	1.1
133.10132	4.4
137.02374	5.6
137.03307	1.3
137.09569	1.3
142.07739	1.2
147.08073	1.2
147.11687	6.8
149.09615	2.7
153.01810	3.1
153.12756	1.8
154.02209	1.8
157.10115	6.8
165.12718	1.4
167.03372	2.8
168.03670	1.6
175.11221	6.0
193.12244	22.2
205.05017	0.9
211.13306	23.8
217.12177	1.2
219.06577	0.7
229.14294	0.9
233.04417	1.1
235.13339	1.8
251.05565	1.6
253.14365	3.3
263.05542	1.7
267.15891	8.2
285.16965	100.0
286.17310	2.5
293.06372	1.1
305.45679	0.7
447.22250	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03938	2.1
55.01868	1.5
55.05508	8.8
57.03181	0.5
57.03436	6.2
59.04985	0.5
61.02917	3.5
63.80262	0.5
65.03944	0.6
67.05155	0.7
67.05501	10.7
69.03423	3.4
69.07065	3.4
69.39915	1.9
71.01350	0.5
71.04967	2.6
73.02917	1.6
74.06094	0.5
75.54572	0.4
79.05047	0.7
79.05489	12.1
81.03414	49.0
81.07054	14.7
82.03750	0.6
83.04477	0.5
83.04974	9.8
83.08614	18.7
85.02904	12.7
85.06522	1.1
91.03947	2.0
91.05473	16.2
93.07039	8.4
95.04964	18.1
95.08596	4.3
97.02880	3.9
97.06509	2.4
97.10174	2.2
99.04468	0.5
99.08100	0.5
105.06355	0.7
105.07030	11.3
107.04967	4.1
107.08582	3.7
109.06525	3.1
109.10141	1.7
111.04417	1.8
111.08076	8.9
113.06017	1.4
115.05446	0.8
117.07018	0.7
119.04935	0.8
119.07748	0.9
119.08568	9.7
121.06535	0.8
121.10125	5.8
123.08082	1.7
123.11699	1.4
125.09569	0.7
127.07558	0.6
128.06172	0.5
129.06999	6.3
131.08560	6.9
133.06499	1.9
133.10112	7.1
137.09624	1.1
139.79987	0.5
142.07787	1.3
145.05006	0.5
145.10075	1.1
147.08034	1.7
147.10559	1.0
147.11678	12.9
149.09610	5.3
153.01820	3.0
153.12697	1.2
154.02135	1.5
157.10117	10.5
163.11197	0.6
165.12729	2.7
174.28595	0.4
175.11177	11.6
193.12228	49.0
194.12508	0.8
211.13281	45.3
212.13608	0.8
229.14336	2.0
267.15897	19.6
285.16953	100.0
286.17258	1.9
296.93246	0.4
372.55997	0.5
376.00171	0.5
435.59552	0.5
482.20023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
57.07080	61.2
57.65729	1.0
69.07072	8.5
69.40171	5.1
71.08637	58.9
73.06563	3.3
83.08653	4.5
85.10188	35.0
87.04485	2.3
89.06038	100.0
97.10199	4.5
98.23479	1.6
99.11756	5.2
107.07087	3.1
111.11731	4.7
113.13308	4.8
114.65755	1.0
117.09158	3.0
119.56685	1.0
125.13261	2.7
127.14870	3.2
130.08653	2.3
131.06969	1.3
133.08614	65.8
157.93164	1.1
177.11224	25.5
183.21133	1.4
195.12321	3.1
221.13847	3.6
229.94557	1.0
239.14853	3.8
271.26428	5.1
283.14389	2.2
283.17532	41.2
284.18060	1.3
315.29105	2.3
421.35092	2.2
465.37869	45.7
466.38208	2.4
482.39813	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	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05518	14.8
55.48383	0.6
57.03449	1.1
57.04564	0.7
57.07100	0.6
59.68811	0.6
67.05516	4.2
69.03432	3.3
69.07072	6.4
71.04996	1.7
79.05502	2.5
81.03435	4.4
81.07066	10.5
83.04980	1.1
83.08634	1.9
85.02900	3.5
85.06548	1.5
91.05501	2.9
93.07051	5.3
94.83537	0.6
95.04963	2.8
95.08620	10.3
97.02924	2.5
97.06546	1.6
97.10182	22.8
97.66644	0.6
98.23140	0.8
99.04475	1.4
99.86264	0.6
105.07047	4.6
107.08600	5.8
109.02914	2.6
109.06554	1.0
109.10171	5.0
111.04507	0.8
111.08089	1.8
115.29226	0.7
119.08582	4.2
121.10136	3.2
123.08089	1.5
123.11684	2.9
125.09641	5.1
127.03154	0.6
127.03928	3.4
128.96893	0.6
131.08623	1.6
133.10150	2.8
134.49768	0.6
135.08067	0.9
135.11674	3.1
137.06082	0.9
137.09654	0.6
137.13266	0.8
139.11212	0.8
143.10696	6.6
145.10194	2.1
147.08044	0.7
147.11739	2.2
149.09621	0.8
149.13274	1.8
151.07599	1.1
151.11200	0.7
151.14865	1.3
155.10634	0.8
157.12163	0.7
159.11740	2.3
161.09467	0.6
161.13284	2.6
165.12787	1.5
169.10127	0.8
171.10280	1.3
171.11580	0.7
173.13223	1.0
175.14844	1.1
177.12791	1.9
184.42877	0.6
187.14853	1.3
189.11243	2.5
200.58299	0.7
201.16348	0.9
256.95975	0.6
259.08011	1.2
259.16772	0.8
269.14069	0.6
274.74503	0.6
281.60107	0.7
298.59906	0.7
303.23218	3.5
315.14429	2.9
321.16843	1.9
321.24258	3.4
429.26233	1.0
447.27057	2.9
465.28583	7.1
483.22092	100.0
483.29358	5.6
484.22412	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	483.221
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32409	0.3
67.05518	0.8
69.07066	0.8
79.05508	0.6
81.07065	0.9
83.04986	0.4
83.08625	0.4
93.07067	0.6
95.08603	0.7
98.22561	0.5
98.23062	2.1
101.21643	0.3
105.07031	0.4
105.98207	0.3
107.08559	0.7
109.10185	0.4
115.71364	0.3
119.08545	0.4
121.58966	0.4
141.25948	0.3
161.13232	0.4
163.11221	0.4
229.22070	0.4
273.30136	0.3
277.08249	0.3
303.23264	0.5
321.16797	1.6
483.22021	100.0
484.22397	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03460	0.3
59.33932	0.3
60.56748	0.4
69.03444	0.8
71.04999	0.5
81.03418	2.3
81.07036	0.9
85.02908	2.7
91.05459	0.4
93.07025	0.5
97.02889	0.6
97.06518	0.5
99.04456	0.7
101.94611	0.3
107.08672	0.5
109.02883	0.7
109.10104	0.5
121.02903	0.5
121.10152	0.8
125.02353	0.5
125.09650	0.4
127.03970	1.7
128.44356	0.4
137.02348	100.0
137.03404	5.3
138.02687	1.2
138.05479	0.5
139.03893	1.3
141.09094	0.6
143.07048	0.4
145.10173	0.7
153.01842	3.2
153.05432	0.5
163.03908	1.0
177.01868	2.4
177.05434	0.5
181.12314	0.5
187.11066	0.5
193.05113	0.4
195.06523	0.7
199.13275	0.5
233.11858	0.6
251.12791	0.7
269.13669	1.9
287.05554	2.6
287.14835	1.4
288.16901	0.4
305.06583	5.6
334.77335	0.3
338.12152	0.8
357.08325	0.3
449.10571	0.6
484.17953	3.2
485.14212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21220	0.5
52.83661	0.6
53.03939	0.8
55.01873	0.9
55.05505	4.7
57.03436	11.5
57.07081	0.8
59.05011	1.4
61.02921	1.3
67.05508	6.3
69.03428	2.2
69.07070	2.4
69.45577	2.7
71.04991	77.3
73.02916	2.4
75.04477	4.5
79.05505	1.3
81.03419	1.7
81.07059	13.5
81.07510	1.1
83.04980	7.6
83.08624	1.7
85.02903	100.0
85.06546	0.6
86.06047	0.7
87.03979	0.6
87.04463	2.8
91.05515	0.7
93.07038	2.0
95.04958	0.9
95.08623	2.6
97.02865	3.7
97.10167	1.4
98.97595	2.2
99.04452	1.8
101.63481	0.5
103.03945	1.1
104.10731	1.3
107.08597	1.3
109.02880	1.6
109.10143	1.1
111.04434	7.0
116.98632	0.7
119.08536	0.8
123.08056	2.4
123.11720	5.1
127.03917	2.6
129.05475	46.9
130.05771	0.6
135.11703	0.8
139.11151	1.0
145.04948	2.3
146.05952	0.7
146.08099	0.7
147.06519	25.4
159.13809	20.5
163.06013	1.2
164.09172	3.3
174.05620	0.8
178.44653	0.7
201.04422	0.5
237.07651	0.8
255.08620	1.5
263.09399	0.5
269.17520	3.8
273.09616	1.9
283.35992	0.6
287.18433	1.6
305.10547	3.0
305.24780	0.8
309.11572	0.8
434.56296	0.6
467.99786	0.5
480.60254	0.7
484.33423	0.7
485.19653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.5
57.03443	9.9
59.05005	8.5
67.05500	3.0
69.03416	1.8
69.07070	1.0
71.04993	65.5
73.02927	1.8
75.04466	4.1
79.05443	1.1
81.03410	2.0
81.07058	21.1
83.04987	7.6
83.08622	20.5
85.02905	81.8
85.06492	0.9
87.48725	1.1
95.08603	2.8
97.02886	3.2
97.10172	3.0
99.04420	1.4
100.11271	5.3
109.02895	1.3
111.04443	14.6
123.04391	1.4
123.11703	44.2
127.03920	3.4
129.05481	27.1
141.12741	38.6
145.04903	1.9
146.08105	1.7
147.06523	15.8
153.05479	2.2
159.13803	100.0
160.14124	1.8
164.09198	3.9
167.03397	9.7
178.04884	1.2
182.15446	2.5
209.16623	1.9
210.14954	2.3
255.08568	2.1
273.09576	0.9
296.21014	0.9
309.11771	2.6
435.33252	2.1
453.34482	9.3
485.19812	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	484.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64572	0.6
53.03957	0.7
54.86325	0.6
55.05517	2.0
57.03438	11.5
57.07070	3.6
59.04994	0.6
60.08161	0.9
61.02925	1.3
61.57082	0.7
67.05499	1.5
69.03434	2.2
69.07061	1.7
69.18020	2.7
69.18449	1.8
71.04994	72.7
73.02924	2.2
75.04465	3.9
81.07042	3.2
83.04982	7.3
85.02906	86.2
85.10182	16.2
86.03268	0.5
86.09695	0.7
87.04456	2.6
91.03995	0.7
91.05502	0.6
93.07050	0.9
95.08602	2.4
97.02888	2.3
99.04458	1.5
104.10741	2.7
109.10126	0.8
109.84676	0.6
111.04448	11.0
113.09642	24.5
123.11730	1.2
127.03963	3.1
129.05478	36.8
134.42018	0.6
141.12741	23.7
145.04950	2.6
147.06512	17.2
149.09621	0.8
155.08612	1.3
158.75029	0.6
159.13806	100.0
160.14171	0.9
164.09181	2.4
179.61931	0.8
184.07375	3.4
205.48996	0.6
219.23808	0.7
255.08627	1.4
273.09695	1.6
305.23022	0.7
309.11810	1.2
317.08395	1.1
410.01334	0.6
466.19751	1.5
484.26367	2.2
485.18860	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	484.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59142	1.0
55.05504	2.6
57.07076	30.2
59.32641	1.1
62.71939	1.4
67.05500	2.3
71.08267	2.1
71.08633	24.2
73.06561	8.2
73.45066	1.2
73.60138	1.2
81.07039	1.9
83.08618	4.2
83.22830	1.2
85.10183	23.1
85.10690	1.4
87.04481	4.5
89.06033	100.0
97.10161	1.6
99.11722	2.9
107.07059	2.1
113.58471	1.1
117.09149	3.9
130.08646	1.7
131.07086	1.3
133.08604	50.0
139.97958	1.1
141.16399	5.3
176.78001	1.1
177.11240	17.9
185.19022	4.8
221.13872	3.4
229.21672	10.2
273.24280	5.3
283.17368	1.9
283.26471	1.2
327.20093	12.3
366.97446	1.4
423.33051	2.1
451.23776	1.1
467.29681	2.3
467.35779	20.9
484.38812	1.6
484.47217	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	485.0932
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.02381	0.6
57.08565	0.3
69.03431	3.9
69.77662	1.1
79.01854	4.2
81.03411	0.7
91.57205	0.3
97.02898	2.3
98.22733	0.4
107.01338	1.0
109.02867	1.1
123.00796	0.4
125.02365	2.9
127.03912	3.6
143.03409	5.2
147.04460	0.4
149.82370	0.4
153.01836	100.0
153.02895	4.9
154.02182	0.9
159.04370	0.6
163.03873	0.8
171.02884	3.1
174.89673	0.3
179.03345	0.4
191.03381	0.9
205.05042	0.5
207.02925	0.7
221.04408	0.4
224.81552	0.3
233.04462	0.8
237.03981	1.6
247.38948	0.3
271.40341	0.3
279.04898	0.5
297.06104	2.2
323.56497	0.4
335.91919	0.3
346.95651	0.3
367.19791	0.3
406.58658	0.3
467.08856	0.7
485.12595	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	485.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.96285	1.3
56.96565	25.8
67.05494	1.3
69.03430	1.2
69.44393	3.4
70.05000	0.8
81.07050	2.3
83.08631	1.3
84.96027	1.8
85.02898	2.1
91.05507	0.9
93.07023	1.1
95.04939	0.9
95.08612	3.9
98.23542	1.5
98.97579	100.0
100.07645	1.5
100.11241	2.9
105.07018	4.1
107.08594	2.2
109.06520	7.3
110.97566	5.4
111.04414	2.2
112.99197	1.0
114.09167	11.3
115.00677	2.9
116.98615	40.3
123.08054	6.9
124.99111	1.5
127.00672	3.2
128.07033	1.4
128.98631	4.4
133.01762	1.1
133.06474	1.6
134.99664	7.7
139.00682	2.4
140.00143	2.3
141.02197	1.3
143.00182	3.5
143.03822	1.2
145.01727	1.6
146.99641	1.7
149.09633	7.8
151.07544	22.7
153.02150	1.7
157.01714	7.6
158.99648	30.3
159.03291	1.1
161.01273	1.8
161.04837	1.6
167.03752	1.1
170.99608	2.1
171.03300	2.8
175.02798	5.0
177.00713	30.6
179.03763	2.0
182.15407	3.9
183.03305	1.1
185.04845	1.5
187.06366	0.9
189.00665	1.0
189.04347	1.2
193.05411	2.0
195.01730	2.2
195.03384	1.2
195.33044	0.9
197.03276	1.3
197.04829	6.9
199.02794	1.1
199.06389	1.7
200.02240	1.8
201.04176	0.9
203.05959	1.6
205.05383	3.6
209.16467	1.0
210.14912	3.5
211.06404	3.4
213.04390	1.4
213.08054	1.4
215.05898	5.2
217.07457	0.9
219.01765	15.8
219.06979	1.9
221.04933	1.1
221.08533	3.6
223.06403	7.8
225.07927	2.0
227.17578	1.1
229.07642	1.2
237.02760	10.4
237.04533	1.0
237.08015	3.6
239.05876	2.2
239.09560	14.6
241.07439	9.5
245.08423	4.1
245.30577	0.8
247.06363	1.4
249.04369	2.0
253.07457	0.9
255.08965	2.2
257.10529	6.1
263.09549	31.0
265.07434	2.5
265.11084	3.7
267.05402	2.6
279.03845	7.5
281.10583	36.3
283.12140	1.2
286.11121	1.3
287.09589	1.4
297.05057	1.1
299.11603	3.3
304.12180	1.1
305.10587	97.9
306.10904	1.4
317.10434	1.5
323.07828	1.9
323.11633	33.8
323.14850	1.3
324.12311	1.1
337.21021	1.6
341.12668	1.2
346.13281	2.3
354.23657	1.1
355.22012	1.2
358.27161	1.2
365.12766	6.0
367.10501	2.7
381.12033	1.0
425.14807	88.4
426.14920	2.1
443.15872	6.4
468.30811	1.8
485.16394	10.0
485.24298	1.8
485.33249	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	485.1787
Annotation	Evodol
Peak:m/z	Relative Intensity
51.16306	0.6
51.39913	0.6
69.07063	0.7
71.44225	0.9
73.13552	0.6
79.05510	1.0
79.30607	0.8
81.07035	1.5
93.07037	1.6
97.10288	0.7
109.10149	0.8
121.10215	0.9
123.11813	0.8
156.05426	4.0
172.05005	1.3
185.04269	0.7
191.06856	1.2
233.95190	0.7
261.07474	1.0
301.31564	0.9
323.12546	4.2
326.88696	0.7
335.10944	2.0
347.06329	0.8
383.97888	0.6
472.06509	0.7
485.17841	100.0
486.18237	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	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.9
57.03435	7.8
57.07080	26.8
67.05502	6.4
69.07058	6.2
71.08641	18.0
71.45763	3.2
81.07070	9.3
83.08630	3.5
85.10185	9.0
86.48248	2.0
89.06018	3.8
91.05517	2.0
91.23542	2.1
95.08601	8.6
97.10171	2.5
98.98454	3.9
105.07027	5.1
109.10172	3.8
133.10094	2.3
155.00996	2.9
165.09097	4.6
247.74385	2.0
270.00900	2.0
313.27368	100.0
320.65594	2.1
343.37604	2.1
346.82813	1.8
357.82077	1.8
410.07269	2.1
485.28574	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3602
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
50.74189	0.7
60.43031	0.7
69.10686	1.5
69.11098	3.6
131.31163	0.7
137.96436	0.7
140.75011	0.8
162.05215	0.8
183.05113	0.8
409.29703	0.8
485.36011	100.0
486.36377	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	486.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.2
56.15522	1.1
57.03444	12.0
57.07071	5.5
59.38687	1.1
63.10876	1.0
66.11906	1.1
67.05508	2.5
69.03423	5.6
69.07071	44.5
70.46217	2.4
71.04996	74.4
73.09698	1.2
73.22821	1.1
74.09721	1.9
75.04481	5.3
79.05508	1.4
81.03442	1.6
81.07059	1.9
83.04976	9.1
83.08625	17.6
85.02906	100.0
87.04461	2.5
95.04954	2.0
97.02891	3.7
98.97607	5.5
99.04463	2.2
100.89442	1.0
101.06019	1.3
111.04462	11.3
123.04461	2.2
125.13279	3.2
127.03929	3.5
129.05478	34.5
130.06537	1.5
132.08066	1.5
133.06485	1.5
136.07481	1.2
139.03864	2.3
141.12714	1.7
143.07304	2.3
143.14314	71.4
144.08083	21.4
145.04977	2.9
147.06509	17.5
153.05502	3.1
156.08049	2.8
158.09654	14.7
159.13826	1.7
160.07648	3.9
160.84915	1.1
161.15373	25.2
162.09128	15.6
163.03903	1.5
164.09181	2.3
165.07649	1.2
166.99713	1.2
168.08125	3.0
174.09160	3.2
181.08592	1.2
184.07588	2.5
186.09129	13.0
193.03146	1.3
198.08980	1.6
204.10204	25.2
213.16824	1.2
214.08601	1.4
254.11771	4.2
272.12900	5.2
288.12204	1.4
290.13898	15.5
306.13385	3.5
307.10370	1.6
307.21243	3.7
308.14771	7.4
309.11850	2.6
325.03143	1.6
361.02335	1.5
427.16275	4.6
445.17255	1.3
452.19022	3.2
486.20270	5.2
487.08514	18.1
487.21094	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43550	0.5
53.03952	0.5
69.03423	1.0
69.38419	2.8
71.04971	1.7
71.58823	0.5
80.79672	0.5
81.03405	2.1
85.02895	1.5
89.02390	0.5
89.03915	5.6
95.04964	0.7
95.35853	0.5
103.67416	0.5
106.04166	0.7
109.02894	0.9
111.22194	0.5
112.66496	0.5
117.03381	17.8
128.65746	0.6
131.07088	0.5
134.03635	1.7
135.04436	0.9
138.43025	0.6
145.02847	47.7
146.03114	0.8
149.05977	6.5
149.08008	0.7
177.05472	100.0
178.05763	1.8
180.41083	0.5
195.06549	1.8
225.92979	0.5
254.33170	0.5
307.11813	0.7
312.30261	0.5
321.09702	2.8
325.16293	1.2
339.10712	9.1
356.73407	0.6
427.16281	1.2
487.09711	1.0
487.21481	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
59.04200	0.5
59.97892	0.4
69.03412	1.8
71.04976	1.8
79.96712	0.5
81.03424	2.9
85.02911	3.1
89.03912	5.5
90.43127	0.6
97.02878	0.5
98.23055	0.5
98.30563	0.5
113.06002	0.7
114.06897	0.6
117.03376	17.9
118.84483	0.5
127.03895	0.8
131.07135	0.7
134.03592	1.6
135.04402	0.8
145.02843	49.0
146.03154	0.8
149.05971	6.4
163.03920	1.0
177.05464	100.0
178.05881	1.5
178.56789	0.6
186.05515	0.9
186.09084	0.6
195.06503	1.5
204.10143	1.3
216.27922	0.5
222.02277	0.5
257.10495	0.7
290.13861	1.0
321.09583	2.6
325.16318	1.3
339.10803	8.4
349.20178	0.9
427.16464	1.5
487.08475	2.1
487.21457	24.0
488.21564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
52.98455	0.1
58.44571	0.1
61.86579	0.1
69.03409	0.2
70.16651	0.2
70.16978	0.3
83.56931	0.1
83.79441	0.1
98.23404	0.1
109.06529	0.2
123.95205	0.1
135.08040	0.1
175.14778	0.2
185.04236	0.2
193.15907	0.2
232.28706	0.2
259.07861	0.3
325.16226	2.0
394.17346	0.1
401.73148	0.1
487.21457	100.0
488.21890	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	487.2154
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
58.29848	0.3
62.25320	0.3
69.78783	0.9
69.79137	0.7
81.07028	0.5
85.02884	0.6
98.23403	0.6
117.03371	0.5
118.03692	0.5
123.08105	0.4
141.51897	0.3
145.02838	1.3
146.03159	0.7
177.05504	2.4
178.05794	1.4
203.05272	3.3
210.53300	0.4
251.12421	0.4
263.16217	4.0
289.17960	0.5
307.15137	1.3
317.97433	0.4
325.16202	21.2
358.98422	1.0
397.54352	0.4
487.21445	100.0
488.21707	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	487.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01871	2.9
55.05518	14.9
55.92500	1.5
57.03430	5.5
57.07058	2.3
65.03936	2.0
65.12247	1.5
67.05164	3.4
67.05511	64.5
69.03435	15.0
69.07075	21.0
71.01361	2.5
71.04636	2.2
71.05002	27.2
71.43340	1.6
79.05504	31.0
81.03423	36.9
81.07066	100.0
82.07387	2.5
83.04967	7.0
83.08631	22.1
85.02896	8.2
85.06538	5.8
91.05487	23.5
93.07054	60.2
95.04966	8.6
95.08617	36.7
97.02905	20.9
97.06542	14.2
97.10136	4.1
98.22977	1.9
99.04447	8.0
99.08105	3.6
104.99306	1.8
105.07034	11.2
107.07958	1.4
107.08596	39.0
109.02171	3.3
109.02885	36.9
109.03626	1.7
109.06530	3.7
109.10152	13.8
111.04494	9.2
111.08092	9.1
113.06001	15.1
117.07028	11.1
119.08594	6.2
121.10149	19.1
123.08074	2.8
123.11733	7.3
125.09646	4.1
127.03931	39.9
131.07083	11.4
131.08586	12.6
133.10149	14.2
135.08081	2.9
135.11714	17.9
137.06070	1.9
139.11154	2.9
143.08565	2.1
145.10201	2.1
147.11681	6.1
148.77444	1.7
149.09541	2.5
149.13272	55.5
150.13460	1.8
151.11159	4.4
157.10228	2.2
159.11723	25.6
165.12683	3.0
167.14366	3.6
177.12759	18.6
195.13823	85.3
196.14262	1.7
206.48248	1.7
213.14861	25.4
228.92070	1.9
289.25204	2.0
303.15829	2.8
321.16977	10.0
339.18082	53.8
357.18817	2.4
415.28452	3.8
433.29504	3.8
451.30536	2.4
487.31686	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	489.1738
Annotation	Nortryptoquivalone
Peak:m/z	Relative Intensity
53.03973	1.6
56.96552	3.7
67.05497	2.7
69.03421	2.2
70.41730	2.6
71.04979	6.8
79.05512	2.1
81.07061	2.0
85.02928	7.8
91.05453	2.0
98.97587	4.3
103.26183	1.5
105.07011	2.7
115.00671	4.1
129.05470	2.0
133.01744	2.3
177.05453	3.8
183.69185	1.6
234.98010	1.7
267.09070	12.5
273.18335	1.8
285.10156	10.5
291.19742	3.9
309.10236	7.6
327.10892	2.0
369.12042	3.6
382.50671	1.5
387.84732	1.5
411.87512	1.7
429.14349	2.8
457.14685	70.4
458.15100	2.5
489.17120	100.0
489.22867	10.6
490.17096	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	489.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72601	0.4
70.44768	0.9
71.05000	3.0
75.29539	0.4
77.82186	0.4
80.67369	0.4
85.02921	3.6
98.22745	0.7
101.75828	0.4
111.00568	6.1
111.04472	0.5
129.05482	1.1
129.42358	0.5
147.04417	1.2
147.06534	0.7
153.01863	1.6
163.03900	2.8
165.05464	0.5
185.04234	1.0
203.05281	6.4
221.11502	6.2
247.13174	1.1
265.14417	0.5
265.17755	0.7
293.43076	0.4
309.06012	0.6
309.13080	6.7
309.16446	0.6
327.14172	6.6
327.17883	0.7
383.16727	9.5
409.18552	0.6
471.18414	3.9
489.19370	100.0
490.19818	3.0
512.87250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
55.01882	1.2
55.05511	2.0
57.03186	0.9
57.03444	11.7
59.04991	1.2
61.02943	1.1
65.03928	0.8
69.03428	3.7
71.01345	0.9
71.04996	68.5
71.25558	0.7
73.02908	2.7
75.04482	4.2
83.04988	10.0
85.02908	100.0
86.03248	1.0
87.04464	2.2
91.05489	3.2
97.02901	4.3
98.22860	6.5
98.23550	1.2
99.04468	1.9
101.05989	1.0
103.03864	0.8
109.02951	0.8
111.04466	5.1
119.04945	8.5
123.04486	1.1
127.03941	3.4
129.05482	42.1
145.04994	1.8
147.04422	43.4
147.06491	20.9
153.01840	0.8
163.03923	1.2
163.06085	0.9
164.09200	6.3
165.05499	18.3
180.08650	1.1
189.05479	1.8
207.06557	1.0
213.05428	1.1
215.07335	0.9
229.29234	0.8
229.79042	0.8
231.06693	0.9
237.07892	0.9
239.07085	1.2
255.08594	1.3
257.08185	1.4
273.09698	1.0
275.09128	2.1
293.10205	8.3
294.10767	0.9
296.65814	0.8
329.27676	0.8
490.19498	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05510	2.4
57.03444	11.3
59.05031	0.9
60.93372	1.0
61.02926	1.5
69.03442	3.5
71.04998	67.3
73.02928	3.4
75.04494	6.2
81.03435	1.0
83.04990	10.8
85.02911	100.0
87.04472	2.8
88.86105	1.0
91.05510	2.7
97.02884	5.0
98.23257	9.6
99.04465	1.4
99.33746	1.0
102.99760	1.0
103.03974	1.5
109.02930	1.0
111.04471	5.6
119.04961	8.1
127.03927	2.0
129.05495	45.8
145.05017	1.8
147.04420	43.6
147.06497	20.0
150.18471	1.0
163.03934	2.5
164.09213	5.5
165.05481	20.8
189.05392	1.2
203.05327	1.0
207.06624	2.5
217.55725	1.2
217.58057	1.0
255.08542	2.0
257.08313	1.9
275.09204	3.0
293.10138	9.8
309.11813	1.5
490.19086	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	490.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78003	2.2
53.03946	2.9
55.01862	4.3
55.05509	24.1
56.21550	2.5
57.03439	2.8
60.16303	2.2
67.05507	32.9
69.03425	8.9
69.07069	13.2
71.44212	2.6
79.05490	35.8
81.03410	5.6
81.07063	29.4
83.04948	3.4
83.08615	15.5
85.02890	8.8
85.06562	2.4
91.05466	25.1
93.07049	29.1
95.04945	6.8
95.08614	18.6
95.88506	2.7
97.06537	4.0
97.10166	23.9
105.07030	28.3
107.04978	2.6
107.08591	58.8
109.06490	5.8
109.10161	9.7
111.08028	3.3
115.05424	3.0
117.07001	10.1
119.08591	21.9
121.06555	2.7
121.10151	19.6
123.08045	5.9
123.11723	4.8
125.09637	21.8
131.08530	8.1
133.10161	17.2
133.11012	2.3
135.08113	4.1
135.11670	10.0
140.11644	2.2
145.10117	9.4
147.07968	2.3
147.11678	11.3
149.09592	8.1
149.13258	3.3
151.19321	2.4
153.09155	3.9
157.10126	3.4
159.11670	9.4
161.09647	2.7
161.13295	5.6
163.11162	4.7
169.10109	2.6
171.10196	6.5
171.11679	4.4
173.13202	4.7
189.11234	26.0
191.14398	3.1
195.13809	10.7
213.14841	8.9
219.13725	3.6
239.18028	4.6
257.18979	9.4
275.20050	100.0
276.20200	2.6
293.21115	14.1
326.05649	2.5
357.18930	5.8
437.66742	2.8
459.27002	3.1
491.25626	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	491.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83485	1.0
53.03953	1.7
55.01869	6.0
56.96561	1.1
57.03430	5.9
59.33489	0.9
61.02938	5.2
65.03944	1.4
69.03432	19.0
69.98387	3.1
71.01367	1.9
71.04991	2.7
73.02917	3.1
77.03935	1.3
79.05499	3.1
81.03419	6.9
85.02910	48.2
87.04472	3.4
89.03933	2.2
91.03981	1.8
91.05492	4.0
93.03424	1.4
95.05000	2.4
97.02900	13.0
98.23397	1.2
98.97598	3.6
99.04484	1.9
101.02436	1.0
102.96891	1.4
103.03963	5.1
103.05465	2.5
105.03413	1.4
107.04973	2.4
109.02866	4.0
115.05473	2.4
117.03390	3.0
119.04929	7.6
121.02893	2.5
121.06512	1.3
123.04459	2.1
125.05998	1.7
127.03934	5.6
128.52901	1.1
131.04926	13.7
131.07079	1.7
133.02859	20.6
133.06506	1.8
135.04443	4.7
136.04823	1.1
137.02342	1.6
137.05960	1.9
138.03110	5.3
139.03963	1.9
140.21414	0.9
143.04959	1.2
145.02870	2.8
145.04965	3.6
145.06525	1.8
146.03606	1.9
147.04424	13.4
149.02362	3.2
149.05981	4.6
150.03148	16.3
151.03932	11.1
153.05482	8.0
159.04433	25.8
160.05254	1.2
161.02373	2.7
161.06012	3.7
162.03117	9.3
163.03906	18.6
164.04504	3.3
165.01854	2.3
165.05507	7.5
166.02585	6.9
167.03375	6.3
171.04405	3.2
173.02361	3.0
174.03162	2.4
175.03915	17.4
176.01054	1.2
176.04652	10.2
177.01840	41.9
177.05466	15.8
178.02603	6.7
179.03404	17.4
179.07065	2.8
180.00562	4.3
181.04961	60.0
182.02086	2.0
182.05316	1.9
186.03123	2.3
187.03903	18.4
188.04651	1.6
189.05443	3.0
190.02628	6.9
191.03398	50.2
191.07004	6.4
192.04129	4.7
193.01343	2.5
193.05005	18.7
193.51506	0.9
194.02092	10.2
195.02885	25.6
195.06546	1.9
197.04459	36.6
199.03909	3.6
201.05498	2.0
202.02655	3.8
203.03450	4.7
203.07057	1.1
204.04178	9.9
205.04968	52.2
206.02118	5.9
207.02892	6.9
207.06512	9.6
208.03712	1.8
209.04457	100.0
210.04805	1.7
211.02374	4.8
212.03110	1.6
214.02681	3.2
214.95361	2.3
215.03447	12.8
216.04201	4.4
216.95180	1.5
217.04927	6.4
218.02129	2.0
219.03081	11.6
219.06509	25.5
220.03596	2.4
221.04465	34.1
222.04987	1.7
223.02393	8.3
223.05986	6.7
225.03992	6.4
227.03368	2.0
227.05498	1.9
229.04967	4.5
230.02167	2.3
231.02916	2.0
231.06560	4.0
232.03615	4.9
232.96533	3.1
233.04448	59.2
234.04807	2.2
234.96672	1.0
235.06029	11.5
237.03889	4.4
239.05214	1.4
242.02127	1.3
243.02788	2.1
245.04480	11.9
247.06009	48.8
249.03937	2.4
251.05511	72.3
252.05847	2.1
253.20889	0.9
255.05058	2.0
257.04404	5.9
260.03238	1.9
263.05515	75.4
264.05896	2.3
265.07111	2.5
275.05505	71.7
276.05856	1.5
281.06567	17.1
293.06558	54.1
311.07623	23.1
322.91245	1.2
329.08780	3.4
349.08212	3.0
410.14914	1.2
491.06110	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	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.36211	2.3
51.45128	2.3
53.03953	7.0
55.01873	7.6
55.05510	34.3
57.03437	14.9
57.07059	2.4
59.05014	2.6
65.03937	6.1
67.05506	63.1
67.49886	2.5
69.03428	7.3
69.07071	18.7
69.78078	5.1
69.78456	5.3
71.04988	6.2
72.35887	2.1
74.77313	2.5
77.03931	3.5
79.05493	98.4
81.03415	57.9
81.07061	69.0
83.04975	21.9
83.08619	29.4
85.02895	21.9
85.06538	3.8
90.36385	2.6
91.05479	100.0
91.49125	2.5
93.07042	76.0
93.07607	4.7
95.00973	2.2
95.04965	41.8
95.08604	34.1
97.02864	3.3
97.06527	10.4
97.10162	6.5
101.59699	2.6
105.04501	4.5
105.07031	67.7
107.04953	9.7
107.08591	24.3
109.06506	7.3
109.10152	9.2
111.04461	3.3
111.08083	10.1
113.15522	2.7
117.07023	14.2
119.08585	38.3
121.06522	5.5
121.10156	10.8
123.11757	5.8
125.06048	2.9
125.09600	3.2
128.06230	5.7
129.06989	28.7
131.08589	20.3
133.06508	4.2
133.10130	21.0
133.11003	3.2
135.11740	3.3
141.06990	3.1
143.08556	11.9
145.10162	13.4
147.08020	7.1
147.11693	49.9
149.09662	3.8
151.07640	3.0
157.10121	15.5
159.11646	2.8
161.09679	5.3
161.13271	10.5
171.08040	3.0
171.11697	22.8
175.11209	9.2
185.13300	3.5
187.13269	3.0
189.11267	4.0
189.12740	13.1
193.12241	39.5
207.13783	24.7
211.13280	40.4
211.15097	3.6
227.12730	5.3
229.15833	2.5
243.15891	5.1
249.14819	8.2
267.15942	29.2
277.17902	3.7
281.17422	26.0
305.17465	4.2
351.25436	3.2
381.24188	4.3
399.25128	5.5
468.40881	2.8
473.28940	58.7
491.30112	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	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.0
54.06096	1.1
55.01876	3.1
57.03439	1.9
61.02922	1.7
69.03420	4.1
69.35781	6.2
71.04982	1.3
73.02924	1.7
79.05486	1.3
79.77513	1.1
81.03420	2.1
83.18033	1.0
85.02899	14.5
85.81406	1.2
97.02896	5.1
98.22765	2.4
98.23414	2.5
103.03945	5.1
105.07054	1.3
109.02862	1.8
111.04472	2.2
115.05418	2.9
117.03370	1.3
127.03969	2.7
129.06970	1.5
131.04893	2.5
135.04428	9.9
137.02348	2.2
139.03885	7.6
143.04922	8.9
145.02898	1.3
145.04997	2.1
147.04398	15.6
151.07579	2.0
157.06508	1.4
159.04449	1.5
161.05978	28.0
163.03905	75.6
165.05510	2.7
169.06531	1.2
171.04453	4.4
173.06024	3.6
175.03877	9.5
175.07538	2.6
177.05392	7.3
181.04980	5.1
185.04515	1.3
185.05898	6.3
187.03911	1.9
187.07561	2.4
189.05473	35.7
191.03424	4.2
191.07169	2.3
193.04950	30.6
193.06572	2.0
197.06023	1.1
199.03946	2.6
201.05527	3.3
203.07074	4.5
205.05025	6.9
207.06538	5.5
213.05470	16.9
215.07045	5.7
217.04927	13.8
231.06508	17.2
233.04469	1.6
235.06000	38.0
241.04941	3.5
247.06044	1.6
249.07593	3.5
253.07132	1.5
259.06024	28.3
265.07141	2.1
277.07071	23.1
295.08124	100.0
296.08505	3.1
313.09158	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	492.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.4
67.05507	0.5
69.32884	1.6
79.05492	0.9
80.06300	0.7
84.57083	0.3
90.04684	0.6
91.05466	2.9
93.07027	0.9
95.04993	0.6
95.08591	0.4
98.23470	0.8
100.59438	0.3
105.07014	0.9
106.04166	0.4
107.04964	5.0
107.08607	0.4
108.05732	2.4
109.06473	0.4
115.05383	0.5
119.06046	0.7
121.06502	1.9
123.08074	0.6
129.06985	0.5
131.04938	0.4
133.06487	1.5
133.10094	0.5
135.04424	2.1
135.08070	1.9
136.05197	8.6
137.05959	2.2
139.07442	0.6
145.06502	0.5
145.81464	0.4
146.07262	1.0
147.08051	3.3
150.06781	2.2
151.07538	100.0
152.08098	0.4
153.09088	0.5
154.97885	0.4
157.06540	0.6
158.07283	0.5
160.08847	0.9
161.05974	0.7
163.07515	1.1
164.08359	1.2
165.09119	8.9
171.08064	0.8
172.08852	0.8
173.05994	0.8
173.09589	0.4
174.06772	1.1
175.07581	1.2
177.09119	5.5
179.10684	1.1
186.10391	1.3
187.07539	1.1
188.08298	3.5
189.09084	3.5
191.10678	3.3
192.31126	0.4
193.08647	0.8
201.09116	1.6
202.09909	2.0
203.10678	6.0
217.12238	10.7
229.33636	0.4
263.14227	0.4
309.14914	0.5
323.16428	3.0
340.16684	12.9
353.17664	0.8
355.19040	22.7
356.19351	0.5
373.20114	1.7
397.19977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01866	5.9
55.05307	2.6
55.05519	31.2
57.03441	5.4
58.61427	2.1
59.04980	2.2
60.23155	2.7
67.05507	45.6
67.81837	2.7
69.03424	15.0
69.07067	18.6
71.04977	3.7
71.08637	21.1
79.05498	29.8
81.03423	18.5
81.07059	45.7
83.04980	9.5
83.08628	28.7
85.02903	9.7
85.06541	8.1
85.45635	2.6
89.99319	2.2
91.05509	20.2
93.07050	38.0
95.04957	7.9
95.08600	25.9
97.06533	5.2
97.10181	38.1
98.23417	6.7
99.04432	4.1
99.08091	18.6
105.07043	15.5
107.04952	3.5
107.08585	26.8
109.06503	4.5
109.10162	12.2
111.08070	6.4
117.06997	6.8
119.08602	14.4
121.06523	3.4
121.10132	10.8
123.08062	3.2
123.11728	2.9
125.05935	2.4
125.09639	39.2
127.03921	9.8
129.06953	3.5
131.08540	10.2
133.10133	12.5
135.08055	5.3
135.11723	12.8
139.07584	4.5
143.08551	2.9
143.10609	2.4
145.05052	3.5
145.06454	3.6
145.10170	5.0
147.11703	5.6
149.13223	15.0
151.07497	8.3
151.11200	23.5
153.09138	3.1
153.12782	3.2
159.11691	6.4
161.13225	16.9
163.11197	13.2
163.14726	3.9
163.36966	2.4
165.12657	3.0
171.10179	4.3
172.41400	2.3
173.11732	3.7
175.09753	2.8
175.11230	4.1
177.12755	4.7
179.10753	2.4
179.14314	12.4
185.13338	3.8
189.11223	63.2
193.12279	8.3
195.13800	35.5
211.13353	11.9
213.14883	20.4
241.19513	4.6
248.05090	2.5
250.72803	2.5
259.20612	8.6
267.15607	2.5
277.21631	100.0
295.22717	25.8
305.89279	2.5
339.18008	2.9
357.19019	5.3
488.55173	2.6
493.19769	4.3
493.27795	16.4
493.35049	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	493.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22337	0.7
56.96563	16.7
68.08855	0.7
69.07078	1.9
69.41949	0.8
69.42248	3.7
81.03415	0.9
82.99080	0.7
84.96027	7.5
85.02931	0.8
86.26086	0.7
95.68147	0.8
97.96809	3.3
98.97580	100.0
102.69482	1.0
110.97559	20.2
112.99126	8.9
115.97830	1.0
116.98617	33.6
124.99115	8.0
126.96984	1.1
127.00652	1.0
128.97635	1.1
128.98610	18.9
131.00162	7.6
134.99649	8.2
140.00238	0.9
140.98601	5.1
141.02179	0.8
142.99126	1.3
143.00162	13.6
143.03854	1.0
144.98105	4.7
145.01715	1.1
146.99658	5.5
149.01201	2.4
152.98543	4.7
153.01833	2.7
157.98878	1.6
158.99654	48.4
161.01219	9.8
162.99141	2.5
164.16904	0.9
167.00053	1.8
167.03383	1.6
169.01755	1.6
170.99646	8.3
173.01241	3.1
174.99135	1.5
177.00705	32.8
179.03499	0.9
185.01230	10.9
185.04790	1.5
187.02705	1.6
189.00717	4.5
191.02295	2.6
195.01761	2.0
197.04839	1.2
200.02299	1.6
201.00656	4.9
203.02245	11.1
203.05881	2.8
209.01230	1.4
218.99622	1.3
219.01753	25.2
219.03795	1.6
221.03296	1.4
227.02202	2.6
227.05806	1.6
237.02808	26.3
239.02472	0.8
239.05914	1.7
245.03394	5.2
245.06903	0.9
253.02277	1.2
255.03859	1.7
263.04343	3.0
287.07990	28.2
288.08530	0.9
305.05444	12.4
305.09015	99.8
306.09363	2.0
323.06647	3.6
323.09943	1.2
328.10504	4.1
347.10168	4.4
359.10120	12.5
361.11646	2.5
365.07462	2.4
373.11642	19.7
375.13062	4.3
397.11502	2.9
415.12625	3.4
433.13800	48.6
434.14346	1.1
451.14789	14.5
493.15869	27.5
494.15900	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	493.2051
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
52.03184	0.4
53.78768	0.4
54.01876	0.4
55.24906	0.4
63.71582	0.4
67.05535	0.5
69.17262	2.5
69.61563	0.4
73.06453	0.5
76.74345	0.4
85.02862	0.6
93.07067	0.8
98.22942	2.0
99.01377	0.4
121.10156	0.4
151.07578	0.5
163.98979	0.4
383.16876	1.5
405.15149	0.8
428.94861	0.4
493.20505	100.0
493.30490	2.8
494.20688	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	493.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91227	0.7
67.05491	0.6
69.21049	3.0
71.04979	0.6
79.05504	0.8
81.07082	0.9
85.02931	0.6
90.65194	0.5
92.50252	0.6
93.07079	0.6
102.11730	0.5
103.81730	0.5
105.37248	0.5
107.08602	0.7
112.80003	0.5
137.06027	0.6
145.36386	0.6
151.07564	0.8
165.09105	0.6
186.95032	0.6
216.71213	0.5
239.12555	1.2
269.09332	0.7
284.79889	0.5
365.26300	0.6
383.16656	1.4
417.60349	0.6
493.20450	100.0
493.30432	4.4
494.20456	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	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03953	5.0
55.01878	11.7
55.05511	28.1
57.03434	11.6
57.07084	1.7
59.05005	3.3
65.03956	1.6
67.05503	39.6
67.14169	1.4
69.03443	4.5
69.07069	13.2
69.52855	1.4
70.78580	2.6
71.01335	1.3
71.05000	8.6
71.08645	2.3
78.74038	1.4
79.05493	44.7
80.06783	1.4
80.38029	1.6
81.03415	57.1
81.07056	42.4
83.01344	9.1
83.04984	20.6
83.05440	2.0
83.08623	31.1
85.02911	24.5
85.06550	3.4
91.05482	41.8
91.48090	1.3
93.07051	35.2
95.04969	29.8
95.08606	17.1
97.02905	4.8
97.06525	8.1
97.10172	8.7
99.04469	3.1
99.08116	2.7
105.07026	27.8
107.04956	12.8
107.08582	19.1
109.02861	1.9
109.06507	8.8
109.10146	8.0
109.69101	1.4
111.04425	6.8
111.08080	11.8
111.93359	1.5
113.06004	3.2
115.05471	1.7
117.07001	9.8
119.08575	21.6
121.06512	6.3
121.10162	16.6
123.04507	1.9
123.08037	8.8
123.11684	2.9
125.05997	3.1
125.09575	7.0
128.06255	1.9
129.07011	12.0
130.07755	2.0
131.08572	14.2
133.06516	2.8
133.10101	9.3
135.08096	1.9
135.11671	9.1
137.09622	4.4
141.26050	1.3
145.10118	14.8
147.08061	4.8
147.11697	12.3
149.09651	4.9
149.13354	2.2
151.07635	2.2
151.11172	1.9
153.12764	3.4
153.77390	1.5
155.08577	1.7
157.10127	10.1
159.11719	1.8
161.13313	2.1
163.11188	25.0
165.12807	3.9
173.09665	2.3
175.11169	10.8
181.12259	5.1
189.11299	3.5
191.10721	5.0
193.12239	43.0
195.13794	3.1
209.11731	7.0
211.13277	51.7
213.14781	2.2
215.65375	1.5
227.12868	4.7
249.14819	1.8
265.14526	1.4
267.15970	5.5
277.21536	1.9
278.22113	7.1
283.15436	3.9
296.23151	2.3
383.22125	2.8
401.23257	2.5
449.16800	2.3
461.29544	1.8
475.26816	5.2
475.33835	2.2
493.19626	9.0
493.27859	100.0
493.34985	40.0
494.28302	3.9
494.35001	1.8
495.66248	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	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01875	17.6
55.05511	34.8
57.03422	12.8
57.07077	4.6
65.03948	3.4
65.64786	2.6
67.05502	64.0
69.03425	7.8
69.07062	15.2
71.04992	8.3
71.08619	2.6
79.05494	51.1
81.03416	96.5
81.07053	53.8
83.04982	29.0
83.08627	35.7
85.02908	11.3
85.06524	3.5
86.35518	2.5
91.05471	42.4
93.07041	54.4
95.04353	3.4
95.04961	44.9
95.08606	34.6
97.02858	6.6
97.06529	11.7
97.10162	17.6
98.07317	4.5
99.08088	3.7
103.05489	3.0
105.07029	30.5
107.04951	27.2
107.08593	30.2
109.02888	2.6
109.06515	7.7
109.10151	30.1
111.04441	18.2
111.08088	12.6
117.05516	2.5
117.07019	12.2
119.04898	3.2
119.08591	24.1
121.02879	8.6
121.06507	16.3
121.10126	22.8
123.08038	7.1
123.11725	5.3
125.06002	4.1
125.09626	10.1
126.10415	2.9
128.06250	2.8
129.06996	18.9
131.04945	2.6
131.08572	18.3
133.06496	7.1
133.10130	18.0
135.04405	6.8
135.08043	4.1
135.11700	24.4
137.09653	3.6
139.07550	3.5
141.06987	4.2
142.07747	5.3
143.08568	4.6
145.06442	3.7
145.10127	20.1
147.04459	4.0
147.08064	8.9
147.11699	12.4
149.05986	3.0
149.09622	9.3
153.09097	6.2
153.12746	6.8
155.08591	3.7
157.10130	14.1
159.11708	3.1
161.09694	4.3
163.11169	37.5
165.09145	4.7
165.12740	4.0
171.06548	3.3
173.09474	3.2
173.11763	7.2
175.11172	11.6
181.12242	14.0
183.11615	5.2
189.11191	10.0
191.10706	7.7
193.12241	46.3
198.69313	2.9
201.12877	3.6
201.14810	5.8
205.12296	4.6
209.11752	8.4
211.13281	31.1
219.13828	4.1
227.12741	40.1
229.12302	4.9
229.14389	10.9
247.13272	34.0
249.14923	8.2
259.13275	3.0
267.15869	23.4
283.15451	16.9
321.16989	10.5
355.22629	3.6
365.20999	3.3
383.21960	9.9
394.82660	2.8
401.23059	9.7
419.23947	3.4
458.27194	2.8
475.26871	52.1
475.33551	4.2
476.27216	5.2
493.27808	100.0
493.34961	53.9
494.28308	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	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	0.7
55.05510	3.1
55.14328	0.5
57.03180	0.8
57.03439	10.1
59.04992	1.1
61.02937	1.2
67.05498	1.2
69.03417	2.0
69.07064	11.6
69.32133	3.0
71.04993	78.2
72.05305	0.6
73.02921	2.3
73.48543	0.6
75.04488	4.7
81.03393	1.0
81.07066	3.1
83.04980	14.6
85.02904	100.0
87.04464	2.2
88.40359	0.6
95.08633	1.2
97.02911	3.4
99.04455	1.7
103.03967	1.5
109.02875	1.0
109.06470	0.8
109.10149	1.8
111.04437	6.5
117.14783	0.6
121.94196	0.6
123.11707	11.9
127.03888	3.8
129.05475	57.9
130.05826	1.0
135.74718	0.6
145.04979	2.6
146.08084	0.9
147.06526	27.8
151.11176	23.6
163.06093	0.9
164.09178	2.9
165.37248	0.6
169.12321	0.8
180.08716	1.2
225.07651	0.8
237.07724	1.4
255.08675	2.4
279.15878	0.9
297.16953	14.3
309.11786	1.1
326.14569	0.7
340.41464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01873	1.1
55.05507	2.9
55.76557	0.8
57.03185	0.8
57.03441	10.5
57.07062	0.7
59.04989	2.4
61.02919	1.3
65.74419	0.7
67.05495	2.9
69.03418	2.5
69.07071	3.4
69.07420	0.6
69.32284	3.2
71.01352	1.0
71.04993	78.4
71.57574	0.6
72.05328	0.7
73.02912	1.7
75.04481	4.8
75.50450	0.7
79.05473	1.3
81.03415	1.2
81.07064	8.0
83.04979	11.2
85.02905	100.0
86.65611	0.7
87.04483	2.0
89.40180	0.6
91.05468	1.1
93.07047	2.0
95.04948	3.2
95.08615	1.9
97.02892	3.9
99.04458	4.1
103.03957	0.8
105.07030	2.1
107.04969	0.8
107.08617	2.3
109.02820	1.0
109.06549	2.9
109.10161	4.2
111.04448	6.5
119.08563	1.4
121.06533	0.8
121.10175	2.2
123.04511	0.6
123.08093	0.9
123.11707	31.0
127.03933	3.6
129.05479	45.1
133.10127	1.4
135.08029	0.7
135.11670	1.5
145.05023	2.3
145.06490	1.5
145.10135	1.5
146.08109	0.7
147.06525	20.5
147.11699	2.3
151.07607	1.7
151.11179	18.9
157.10156	1.1
159.11676	1.3
161.09659	1.2
162.07596	1.2
164.09222	2.9
165.09064	0.8
169.12245	9.3
175.11227	1.5
177.12695	0.7
193.12352	1.3
201.12746	1.1
203.10611	0.8
205.12315	1.8
209.11720	1.8
215.14357	0.8
233.15408	1.6
243.13844	2.6
255.08760	1.9
261.14896	4.7
279.15848	5.6
297.16867	3.6
494.26422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.05519	30.0
57.03439	4.5
67.05510	30.6
69.07066	10.9
69.30519	8.3
69.30933	15.0
79.05499	31.3
80.05815	4.7
81.07069	31.9
81.61088	3.3
83.04986	5.8
83.08608	19.6
89.41569	3.6
91.05492	33.6
93.07050	17.2
95.04961	7.4
95.08608	11.9
97.10175	29.1
98.23466	4.9
103.05476	12.1
105.04525	3.8
105.07023	20.5
107.04946	6.8
107.08582	22.3
109.06560	4.8
109.10142	8.3
115.05402	4.1
117.07024	33.7
119.08595	12.1
121.10117	4.6
125.09628	22.6
129.06985	17.3
131.08580	23.4
133.06473	5.0
133.10205	4.3
135.08083	6.7
141.06987	4.9
143.08560	8.5
145.06519	8.4
145.10143	8.2
147.08105	4.3
149.13287	4.3
149.43729	3.3
155.08609	4.3
157.10216	4.3
159.11678	4.5
169.10118	7.2
171.11671	6.5
181.10184	5.1
187.14861	11.7
189.11247	14.2
197.13301	11.7
215.14293	43.9
227.12823	29.3
271.17023	3.7
281.17505	5.3
305.14374	3.6
333.29865	3.8
349.21567	6.3
367.22720	19.8
385.23672	15.0
403.24698	4.5
441.26422	46.3
459.27444	100.0
476.30933	20.1
477.28439	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	495.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01869	0.6
55.05506	1.2
57.03431	0.4
63.79341	0.1
65.03940	3.7
67.05490	0.2
68.02634	0.7
68.99776	0.1
69.03419	0.3
69.03760	0.1
71.01344	0.8
71.04974	0.3
71.25739	0.1
73.02908	0.1
79.01852	0.2
79.05478	0.4
81.03407	1.4
81.07053	0.1
82.04205	0.2
83.04532	0.1
83.04974	1.4
84.01648	0.1
85.02903	3.4
91.05470	0.3
93.03407	0.8
93.07038	0.2
95.04948	0.3
96.02105	1.1
97.02891	0.3
97.06517	0.4
103.03934	0.5
103.05459	0.2
105.04504	0.1
107.01306	0.5
107.04929	0.3
107.08569	0.1
109.02849	0.4
110.03676	0.2
111.04441	1.2
115.05341	0.1
119.04889	0.2
121.02840	0.3
124.01580	0.7
125.02338	1.3
125.05984	0.2
126.03118	0.4
127.03899	0.1
129.05484	0.1
131.04939	0.7
133.02853	1.0
137.02348	0.2
138.03131	0.6
139.03905	0.7
141.05392	0.2
147.04402	0.4
149.02313	0.3
150.03104	1.2
151.03922	0.5
152.01056	1.5
153.01871	0.2
153.05409	0.3
157.04958	10.6
159.04417	1.0
162.03076	0.4
163.03799	0.3
165.01814	0.2
165.05484	0.3
166.02596	0.6
167.03384	100.0
168.03728	1.4
171.04384	0.2
173.02394	0.2
175.03876	0.4
176.04689	0.6
177.01811	2.5
177.05453	0.5
178.02567	0.4
179.03404	0.8
179.07011	0.2
181.04950	6.1
185.04489	0.6
186.03148	0.2
187.03894	0.9
188.04778	0.1
189.15041	0.1
190.02640	0.2
191.03372	1.5
191.07030	0.2
193.04930	0.9
194.02098	1.0
195.02863	1.0
197.04491	0.8
199.03812	0.7
201.05414	0.2
204.04099	0.8
205.04982	1.6
206.02136	0.2
207.02861	0.4
207.06523	0.2
209.04443	6.7
210.04671	0.1
215.03374	0.6
216.04126	0.4
217.01283	0.1
218.02098	0.2
219.02936	0.3
219.06487	1.0
221.04407	2.0
223.06055	0.3
227.05478	1.0
229.04976	0.5
231.02852	0.2
231.06549	0.2
232.03665	0.7
233.04430	1.9
235.05823	0.2
237.03929	0.2
243.02856	0.5
245.04457	0.2
247.06009	2.5
249.04068	0.2
251.05508	1.5
252.30959	0.1
257.04446	0.5
260.03162	1.2
263.02975	0.2
263.05502	1.3
269.06506	1.2
275.05496	6.2
276.05905	0.2
287.20114	0.1
293.06531	3.7
311.07651	0.9
366.27158	0.4
459.09241	0.2
477.10327	0.2
494.32007	1.3
495.17618	0.8
495.25250	0.2
495.32330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01854	0.6
55.05509	1.3
57.03421	0.4
64.20427	0.1
65.03943	4.3
67.05504	0.2
68.02647	0.7
68.99780	0.2
69.03433	0.2
69.26176	0.4
69.26574	0.2
71.01357	0.7
71.04985	0.2
77.03919	0.1
77.22445	0.1
79.01859	0.3
79.05493	0.5
81.03414	1.6
81.07084	0.1
82.04179	0.1
82.15472	0.1
83.01310	0.2
83.04978	1.3
85.02404	0.2
85.02905	3.2
91.05471	0.3
93.03400	0.9
93.07024	0.1
95.04955	0.2
96.02110	1.2
97.02868	0.1
98.22667	0.2
103.03927	0.3
103.05457	0.1
105.04497	0.1
107.01324	0.6
107.04970	0.3
107.08612	0.1
109.02876	0.7
109.06416	0.1
110.03671	0.2
111.04443	1.4
119.04950	0.3
121.02850	0.3
124.01559	0.9
125.02353	1.4
125.06037	0.2
126.02329	0.1
126.03113	0.6
127.03880	0.2
131.04927	0.7
133.02861	1.1
134.03693	0.1
137.02357	0.3
137.05948	0.2
138.03131	0.7
139.03888	0.6
141.05449	0.2
145.02888	0.2
147.04410	0.3
149.02301	0.3
150.03125	1.1
151.03902	0.6
152.01048	1.6
153.01862	0.2
153.05469	0.4
157.04967	11.8
158.05333	0.1
159.04407	1.1
160.05176	0.1
162.03127	0.5
163.03888	0.3
165.01785	0.1
165.05478	0.4
166.02617	0.8
167.03391	100.0
168.03720	1.4
168.04993	0.1
171.04384	0.3
173.02365	0.2
175.03889	0.7
176.04704	0.7
177.01846	2.1
177.05432	0.5
178.02542	0.2
179.03400	0.8
180.00496	0.4
181.04958	6.7
185.04486	0.5
186.03123	0.2
187.03912	1.1
190.02646	0.3
191.03380	1.3
191.07048	0.2
192.04106	0.2
193.04956	1.1
194.02110	1.0
195.02890	0.9
197.04504	0.8
199.03868	0.6
201.05392	0.2
203.03438	0.3
203.06953	0.1
204.04193	1.0
205.04942	1.5
206.02107	0.3
207.02913	0.3
207.06514	0.3
209.04462	6.1
211.02292	0.1
215.03384	0.6
216.04178	0.3
217.01175	0.1
218.02058	0.4
219.02870	0.3
219.06514	1.0
221.04457	2.1
223.02364	0.2
223.06004	0.3
227.05476	1.2
229.04921	0.5
231.02867	0.3
231.06470	0.2
232.03690	0.6
233.04422	1.7
235.06079	0.3
237.04037	0.3
243.02850	0.4
245.04378	0.1
247.06035	2.1
249.03928	0.3
251.05499	1.7
257.04416	0.6
260.03094	1.3
263.05560	1.5
269.06604	1.2
275.05493	5.6
276.05869	0.1
293.06561	3.1
293.09695	0.2
311.07614	1.0
320.88034	0.1
366.27310	0.3
459.09024	0.2
477.10199	0.2
494.25537	0.1
494.32010	1.6
495.16782	0.8
495.32220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
53.69006	1.6
55.01875	8.2
55.05517	21.5
57.03442	15.7
57.63255	1.8
61.36940	1.9
65.03943	2.4
67.05512	37.0
69.03430	7.0
69.07076	13.5
71.04995	10.1
78.14909	1.8
79.05501	44.6
81.03426	88.9
81.07066	47.1
83.04990	21.2
83.08629	34.0
85.02917	41.0
85.06538	4.7
91.05486	51.0
93.07056	30.6
95.04983	38.3
95.08607	18.6
97.02877	4.5
97.06538	6.6
97.10167	7.1
99.04514	2.3
100.11265	5.3
105.03416	2.2
105.04527	1.9
105.07039	37.7
105.07740	2.6
107.04974	9.3
107.08610	12.9
109.06530	8.7
109.10143	8.3
111.04431	7.2
111.08083	15.5
113.06033	5.0
117.07024	4.7
119.08586	31.2
121.06525	5.0
121.10162	18.9
123.08096	5.1
123.11705	3.2
125.09659	3.8
129.07008	17.3
131.08594	15.9
133.06488	5.2
133.10143	15.3
135.08104	3.9
137.09651	3.1
142.07813	3.2
145.10164	2.9
147.06508	1.9
147.08035	4.8
147.11693	20.2
149.09650	10.0
157.10132	19.8
161.09554	1.9
165.09073	1.7
165.12738	4.2
175.11223	19.8
193.12276	85.3
195.35335	1.7
211.13312	100.0
219.13826	2.2
267.15961	10.0
285.16891	4.6
293.17526	2.6
385.24210	2.4
395.00613	1.8
459.27307	6.1
477.28430	10.0
495.29974	96.1
496.29459	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01864	2.4
55.05256	1.1
55.05509	17.0
57.03185	0.9
57.03439	12.8
57.07067	0.7
59.04996	1.4
65.03939	2.0
67.05503	30.1
69.03428	4.2
69.07063	7.9
70.72142	0.6
71.01327	0.6
71.04994	7.2
72.31573	0.6
76.03048	0.5
77.03911	0.7
79.05491	29.5
81.03415	78.0
81.07053	32.2
81.07413	0.5
82.03696	0.6
83.04980	14.2
83.08617	29.5
85.02903	36.8
85.06532	2.7
87.04472	0.6
91.05477	38.6
93.07045	21.1
95.04965	34.6
95.08601	11.9
97.02893	4.0
97.06532	4.4
97.10176	5.0
98.23524	1.4
99.08104	1.4
105.04505	1.4
105.07024	27.8
107.04961	7.3
107.08584	9.4
109.06512	4.8
109.10155	4.1
110.72764	0.5
111.04439	3.9
111.08070	13.4
113.06019	4.2
115.05431	1.7
116.06171	0.9
117.06998	2.2
119.04929	1.4
119.08576	26.0
121.06490	1.9
121.10147	12.5
123.08089	3.2
123.11720	2.6
125.09614	2.6
127.07570	0.9
128.06197	0.8
129.06996	13.6
131.07794	0.4
131.08560	13.7
133.06540	3.0
133.10129	13.9
137.09592	2.4
142.07773	3.5
145.10135	2.0
147.08041	3.9
147.11674	18.6
149.09602	8.2
151.11189	1.1
153.05075	0.6
155.08505	0.8
157.10123	18.3
163.11134	1.5
165.12749	5.1
175.11172	18.2
175.71220	0.7
183.13831	0.8
189.11234	0.7
193.12236	75.2
194.12567	1.3
197.22006	0.5
209.11757	1.0
211.13283	100.0
212.13643	1.4
267.15900	10.4
285.16971	5.3
349.21674	0.6
367.82260	0.7
382.23016	0.6
385.23648	1.2
389.00281	0.6
433.25748	0.6
459.27347	2.8
477.28455	5.3
495.29529	96.3
496.29645	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	495.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.3
57.07075	22.5
64.22964	3.9
67.05501	29.6
69.07064	38.3
71.08643	15.6
71.44556	4.3
79.05479	10.1
81.07065	53.1
83.04998	8.4
83.08618	30.3
85.10177	8.2
87.04504	4.7
89.06052	6.1
91.05474	8.4
93.06491	4.5
93.07017	20.8
95.08604	49.2
97.06519	4.8
97.10191	13.1
105.07065	12.6
107.08592	17.3
109.06541	9.4
109.10131	25.5
111.08063	6.1
111.11706	8.6
119.08575	13.1
121.10162	15.2
123.08092	9.1
123.11715	14.5
125.06026	14.6
125.09599	6.2
133.10144	8.9
135.11702	11.7
137.09607	4.5
137.13268	6.6
139.03923	18.8
147.11679	8.8
149.13234	9.6
153.05495	17.0
155.05823	9.4
155.07028	100.0
161.13364	6.2
163.14856	6.3
165.12837	4.0
167.07088	6.3
175.14790	5.2
183.06519	4.9
189.16342	10.4
208.46053	4.4
217.38741	4.1
263.27274	4.1
315.30386	11.9
333.31528	18.6
351.32562	18.3
355.49091	4.5
376.43054	4.0
417.33652	41.8
435.34625	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
58.08832	0.2
65.03947	0.7
67.05519	0.5
69.03450	0.3
71.05004	0.3
73.02917	0.3
77.03933	0.3
77.74429	0.2
79.05477	0.3
81.03393	1.3
81.07053	0.4
85.02892	0.6
89.03950	0.3
91.05476	14.4
93.07066	0.3
95.04979	0.4
95.08569	0.3
98.23466	0.9
99.57162	0.2
101.23951	0.2
103.05455	0.5
107.08577	0.5
108.16862	0.2
109.02855	0.3
109.10180	0.5
109.10906	0.2
119.04938	24.0
120.05262	0.4
121.02885	0.7
124.27487	0.2
129.03372	0.3
132.02040	0.8
133.02815	0.3
133.20647	0.2
135.04306	0.2
136.05188	0.6
142.53976	0.2
145.02831	0.5
146.03564	0.2
147.04399	22.6
148.04716	0.5
149.02367	0.6
149.05957	0.3
149.13248	0.4
157.03975	3.1
164.04704	0.7
166.37604	0.2
167.03368	0.7
167.10596	0.2
171.13779	0.3
175.03899	39.8
176.04311	0.8
179.07045	1.8
192.04121	0.5
193.12138	0.6
195.51506	0.3
196.98137	0.2
207.06511	100.0
208.06822	1.8
225.07620	0.6
285.17017	0.6
317.80164	0.2
335.11633	0.2
339.64117	0.2
351.10773	0.7
369.11649	0.8
472.89203	0.2
472.96930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05505	5.5
57.03441	13.5
59.04985	1.3
67.05500	2.8
68.08003	1.4
69.03420	5.4
69.07069	2.3
69.55489	4.5
71.04995	73.3
73.02921	3.1
75.04486	4.6
78.70331	1.6
79.05490	6.2
81.03398	3.0
81.07048	6.4
83.04974	10.1
83.08595	2.2
85.02906	100.0
87.04501	1.9
91.05476	11.2
93.07045	46.3
95.04966	3.3
95.08607	8.7
97.02894	4.7
97.06521	2.6
98.23507	1.8
99.04392	2.9
105.04483	2.3
105.07027	4.7
107.04935	1.5
107.08598	55.9
109.02892	2.0
109.06511	2.3
109.10130	5.0
111.04443	5.6
114.09234	1.2
119.08556	2.4
121.10169	4.3
123.15772	1.7
127.03933	5.5
129.05482	39.4
133.10121	2.7
135.11690	42.3
137.09674	1.5
137.13272	2.2
140.10742	2.1
145.04980	4.6
145.10068	2.4
147.06523	23.3
153.12726	4.2
157.10095	1.9
163.06013	2.2
173.02318	1.6
177.12811	2.2
187.11295	1.8
189.12822	1.8
203.25105	1.5
208.56555	1.4
219.13881	1.9
245.15306	1.6
255.08556	1.6
257.00839	5.4
263.16559	3.1
281.17450	3.3
285.00308	14.1
286.00812	2.0
302.00543	3.4
309.11731	2.6
317.02914	47.1
442.31491	1.7
459.29889	1.5
479.08322	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	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01858	2.3
55.05507	5.1
57.03433	12.2
59.30991	1.1
61.02917	1.7
65.03932	3.7
67.05499	6.2
69.03420	4.1
69.07064	5.6
71.01347	1.4
71.04993	66.5
73.02911	5.0
75.04485	7.2
77.03883	1.1
79.05504	11.7
81.03421	3.6
81.07065	11.7
83.04990	13.9
85.02905	100.0
87.04464	2.2
91.05473	12.7
93.06454	2.2
93.07049	44.5
95.04966	6.8
95.08612	17.3
97.02897	5.9
97.06532	21.2
99.04454	2.6
103.03953	1.6
105.04527	2.2
105.07027	6.8
107.08598	53.3
109.02856	2.2
109.06511	3.2
109.10149	3.8
111.04455	8.5
113.05988	1.2
119.08556	3.3
121.10152	2.2
122.09661	1.2
123.11690	1.8
125.05959	1.4
127.03920	7.6
129.05479	45.8
129.06456	2.2
131.13176	1.4
133.10123	2.9
135.11693	36.4
137.09656	1.1
137.13242	5.3
138.53357	1.0
145.04967	3.5
145.10153	1.9
147.05363	1.4
147.06523	25.9
147.11699	1.8
149.09636	1.5
153.01826	4.0
153.09093	1.8
153.12743	5.1
157.04962	2.8
158.05281	1.9
159.11714	2.1
163.05948	1.4
163.11150	1.3
165.07588	1.5
167.03392	29.7
167.04590	2.0
167.10675	2.5
168.03740	17.9
175.11227	1.3
177.12766	3.0
219.13826	1.5
237.07466	1.4
245.15361	2.1
255.08675	3.3
257.00830	2.8
263.16446	3.2
273.09717	4.9
281.17438	3.8
285.00272	4.5
309.11682	6.6
317.02914	18.5
347.12473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01869	0.5
55.05513	1.6
57.03437	10.6
57.26492	0.3
59.04991	0.7
60.04511	0.3
61.02923	1.6
68.57853	0.4
69.03430	2.3
69.07067	2.4
71.01360	0.5
71.04992	75.3
73.02917	2.4
75.04476	4.8
78.15189	0.4
79.05458	0.4
79.52567	0.3
81.03420	1.1
81.07059	1.1
83.04974	6.6
83.08599	0.5
85.02903	100.0
86.03223	0.7
87.04453	2.0
93.07061	0.9
95.04984	1.0
95.08615	1.1
97.02895	3.8
97.06487	0.5
98.96497	0.3
99.04446	2.3
103.03954	1.1
105.07021	0.5
107.08585	0.5
109.02869	0.9
109.06525	0.5
109.10167	1.1
110.06033	0.5
111.04430	4.0
111.11690	0.7
127.03908	3.6
129.05475	43.4
135.11696	0.5
144.06540	1.1
145.04967	2.7
146.08116	1.9
147.06522	23.1
153.12735	2.6
154.39352	0.4
162.07561	1.7
164.09190	7.7
165.07588	0.6
171.06499	0.5
171.13817	2.8
173.10928	0.4
176.79767	0.4
180.08710	2.1
206.12379	0.5
211.13249	0.6
225.07564	0.8
237.14748	1.0
245.15355	1.0
255.08456	1.4
263.16281	1.1
273.09613	1.1
281.17355	1.3
299.18362	1.4
308.13269	0.5
309.11612	0.7
326.14319	1.5
330.74960	0.4
395.89133	0.4
496.25458	1.3
497.26999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.06372	0.2
55.05507	0.4
56.05040	1.4
57.03414	0.3
57.07074	3.7
58.06574	1.6
59.07392	0.3
60.08163	17.0
61.46563	0.2
63.13074	0.2
64.12041	0.3
67.05486	0.7
69.07066	0.4
69.66843	0.8
71.07018	0.4
71.07374	5.7
71.08625	1.6
81.07050	0.6
83.08635	0.5
85.10167	0.8
86.09703	47.9
87.10027	0.4
95.08588	1.2
98.98473	3.2
104.10739	100.0
105.11075	0.4
109.10142	0.5
123.11612	0.2
124.99998	26.6
149.29961	0.3
163.01555	0.7
184.07335	97.6
185.07700	0.6
258.11023	1.3
313.27362	1.6
394.31372	0.2
419.25424	0.5
478.32907	8.9
479.32837	0.4
483.52032	0.3
496.33963	37.9
497.34363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
55.57989	0.6
57.03433	5.6
58.06599	28.4
59.07379	8.1
60.02125	0.6
60.08162	7.7
67.05516	5.0
69.07040	1.3
73.02896	1.0
75.04473	3.5
79.05479	3.8
81.07057	3.9
81.68462	0.6
82.87974	0.6
83.08617	0.8
84.08134	0.7
85.02873	2.5
87.04037	0.6
87.04464	6.1
91.05447	1.6
93.07040	4.1
95.04944	1.3
95.08584	3.3
103.03909	0.9
105.05446	1.3
105.07012	0.8
107.08564	1.5
109.10116	0.8
113.05998	0.7
121.10128	0.7
131.07007	1.3
133.10069	0.6
136.79643	0.6
144.10191	9.4
154.46413	0.6
159.06479	0.6
162.11217	4.2
172.95132	0.6
183.35503	0.5
218.13841	0.8
236.14911	100.0
237.15314	1.1
274.97546	0.8
307.43677	0.6
311.38840	0.5
355.57016	0.6
478.35309	21.7
479.35678	1.1
495.56107	0.6
496.36322	73.2
497.36594	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	497.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22480	1.5
55.01872	3.4
63.63815	1.5
65.03959	2.5
68.99797	8.7
69.03447	4.4
69.38062	7.1
71.05003	1.9
79.01864	5.9
81.03442	4.6
83.05006	3.6
85.02918	2.8
88.84042	1.5
93.03455	2.3
95.04974	3.0
97.02893	9.5
103.03999	2.5
107.01310	2.6
109.02908	4.7
111.04476	9.9
113.02380	2.2
121.02928	5.1
122.06127	2.5
125.02405	3.7
127.03951	1.5
129.05502	1.5
139.03911	56.8
140.07112	3.1
143.03381	6.9
148.07658	1.5
153.01845	99.8
153.02898	7.2
154.02228	1.8
157.05031	5.2
168.06601	3.8
173.04462	2.4
174.07919	1.5
178.08804	2.6
186.07941	2.4
187.08673	7.9
199.08792	5.9
201.10260	19.8
201.11943	2.2
202.11050	3.6
203.08083	1.5
213.10309	3.1
215.08185	11.2
215.11790	12.7
216.12535	1.7
217.09752	2.5
225.10242	3.1
226.08653	2.3
227.08252	4.3
228.08925	2.7
229.09764	15.6
229.13272	2.1
230.10558	10.1
231.07666	2.4
233.09325	3.4
241.06136	2.3
241.09860	4.9
242.07053	1.6
243.07655	2.8
243.11275	9.3
244.12143	2.0
245.09390	5.6
247.10835	5.3
253.09979	1.9
255.07639	2.3
255.11378	9.5
257.09171	2.8
257.12973	2.2
259.07321	4.3
259.10730	8.8
265.11816	1.8
269.09399	5.5
269.12894	2.7
271.10880	5.7
272.08029	1.7
273.08829	4.8
273.12491	4.4
274.13147	3.9
279.79752	1.5
285.12305	1.5
287.10349	6.6
289.11786	17.6
295.10889	2.6
297.09137	3.1
297.12445	2.9
299.10468	3.3
299.14124	5.5
302.12613	44.5
303.13135	2.2
305.11340	2.2
307.12888	10.4
309.06168	5.5
313.11996	3.8
315.09866	15.7
315.13571	45.7
316.14166	41.0
317.11288	19.9
318.12259	2.4
327.07193	4.8
329.84555	1.6
331.13181	4.5
332.10196	3.7
333.10822	38.5
333.14554	2.5
359.12619	6.7
373.14258	2.8
446.16962	3.7
464.17938	100.0
465.18649	3.6
479.08713	2.2
479.16257	1.8
496.89719	2.0
497.11411	3.5
497.17874	52.1
498.18082	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	497.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64958	0.5
59.05855	0.5
71.45002	1.1
84.10148	0.7
98.97574	1.8
115.05421	0.8
117.06945	1.0
118.06544	16.4
119.74023	0.6
130.06552	1.1
132.08104	4.9
135.55672	0.6
142.06512	0.8
143.07286	2.2
144.04480	0.9
144.08096	9.3
146.06004	58.5
153.01820	6.4
159.09148	6.3
160.07529	1.0
170.06064	4.7
188.07065	100.0
189.07384	1.3
205.09723	44.7
211.02608	0.8
229.03806	1.2
243.05441	1.0
274.97406	1.0
317.11368	0.9
407.13058	0.6
411.36145	0.7
461.02728	0.6
497.12445	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	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91775	1.3
53.03952	3.9
55.01877	2.5
55.05508	5.8
55.46895	1.2
57.03417	1.8
59.53743	1.4
66.27464	1.2
67.05495	7.4
69.03439	15.0
69.07085	4.1
71.04995	8.0
73.02897	1.5
75.42059	1.3
79.05495	22.6
81.03421	36.8
81.07057	9.2
83.04972	4.0
85.02904	10.3
85.06573	1.6
90.58441	1.7
91.05487	12.6
93.07046	48.5
95.04964	6.6
95.08599	2.2
97.02882	11.9
97.06525	13.4
99.04464	18.6
101.06036	1.9
105.07028	68.5
107.05000	1.8
107.08594	97.6
108.08977	1.7
109.02892	17.6
109.06531	5.6
109.10146	1.6
111.04446	8.5
111.08096	5.4
117.07017	6.1
119.08587	26.8
121.06519	26.1
121.10149	40.3
121.10986	2.6
122.10722	1.3
123.08064	3.4
127.03934	19.1
129.05530	1.4
129.07051	2.2
130.07791	1.7
131.08559	7.0
133.06500	2.6
133.10144	4.2
135.08058	14.2
135.11696	19.2
137.09599	2.0
143.08559	2.6
145.10130	42.3
145.11227	2.7
147.08086	1.9
147.11705	4.2
149.06023	2.0
149.09610	12.4
151.07521	1.8
155.08580	2.0
159.08035	4.1
161.09590	7.1
163.11186	100.0
169.10103	2.9
171.07971	1.9
173.09662	6.4
175.11162	3.6
175.99744	1.5
179.10754	1.9
181.12234	17.4
183.11642	1.8
187.07468	2.6
189.09157	4.7
191.10663	82.5
201.09090	4.5
203.07101	1.7
203.10573	1.5
205.08641	5.9
207.10135	1.9
209.11726	43.1
211.11168	1.7
225.12799	2.2
227.10632	2.6
227.12778	38.5
229.12364	2.2
253.12265	3.0
257.11655	2.4
263.13129	1.6
271.13339	5.4
275.12671	3.0
287.12811	1.7
289.14349	7.9
299.12698	7.6
301.14395	12.3
317.13840	23.1
319.15494	2.2
330.06549	1.6
331.10013	4.7
335.14877	25.3
353.15933	48.8
371.16849	6.5
373.13855	2.4
461.76199	1.4
498.27759	7.3
499.21594	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01873	3.7
55.05512	8.5
57.03435	6.6
57.07069	2.2
61.02925	2.9
67.05504	11.4
69.03419	2.6
69.07066	3.4
70.66446	0.7
71.01352	0.9
71.04984	2.8
73.02933	1.7
74.33800	0.7
79.05489	11.5
80.06273	1.1
81.03416	13.1
81.07059	10.3
82.04208	3.6
83.04982	4.7
83.08618	5.2
84.05791	1.1
85.02907	6.3
85.06554	1.1
91.03931	1.1
91.05477	11.1
93.07034	10.2
94.07840	1.0
95.04972	11.4
95.08598	4.2
97.02895	5.2
97.06517	2.7
97.10163	6.8
98.07311	3.5
99.04466	1.0
99.08088	0.9
105.07026	4.9
107.04971	2.2
107.08592	5.3
109.02873	2.0
109.06528	3.1
109.10151	3.2
111.04379	0.9
111.08064	3.0
111.55582	0.8
116.04708	6.3
117.07016	1.9
119.04930	3.2
119.08576	3.7
121.06510	1.8
121.10146	2.5
123.08076	5.6
125.09647	8.4
127.03918	1.6
129.05478	14.5
130.07848	0.9
131.08580	4.0
133.10107	3.8
135.08044	3.0
135.11679	2.5
136.08717	0.8
137.09590	2.9
137.13242	0.9
139.07570	2.0
143.07039	3.3
145.05000	1.2
145.10155	2.2
147.04422	2.4
147.08043	1.5
147.11668	3.7
149.06064	1.4
149.09590	1.8
151.07562	1.2
153.01848	4.6
155.14284	4.2
157.08615	7.3
157.10027	1.2
161.09645	1.9
162.09962	1.6
163.07509	2.6
163.11182	2.2
165.09059	2.1
167.06998	4.7
169.15866	1.3
171.10176	2.1
173.15388	2.8
175.03925	4.4
175.11145	2.7
181.12263	1.2
189.11238	6.0
191.07065	1.0
193.12279	7.0
199.13277	1.8
200.14040	1.5
201.16510	0.9
207.06537	10.0
207.10118	1.5
208.10422	0.8
209.08051	0.8
210.12492	0.9
211.13387	1.9
227.09282	1.8
227.12770	27.8
228.13187	1.3
245.09267	0.8
267.15894	16.1
268.16391	0.8
269.10327	1.5
284.16046	4.1
285.17035	3.9
296.48608	0.7
301.16461	100.0
302.16739	1.7
319.13004	1.3
335.11304	1.5
348.13156	1.0
369.11877	1.2
378.14352	1.6
436.15387	1.0
438.16513	1.0
449.15671	1.1
450.16360	1.5
498.18640	20.8
499.20273	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	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27207	3.1
55.05507	7.9
57.03440	16.6
57.07078	6.7
59.04979	3.5
61.02930	4.2
63.30849	2.4
67.05499	7.5
69.03442	6.0
69.07070	10.5
71.05000	74.2
71.44438	3.1
71.61978	2.1
73.02911	7.7
75.04476	7.1
79.05498	7.5
81.03400	3.0
81.07065	100.0
83.04990	14.4
83.08630	7.5
83.80730	2.3
85.02916	95.8
85.06551	6.2
89.91022	2.5
93.07045	6.5
95.04996	3.0
95.08616	29.4
97.02881	5.8
98.23135	2.8
99.08103	11.9
105.07038	5.7
107.08610	4.0
109.02872	4.2
109.06532	3.6
109.82195	2.8
111.04444	11.8
111.08097	2.5
111.11740	7.2
117.06942	2.8
119.08589	3.2
121.06524	4.7
121.10082	4.0
127.03957	7.9
128.55516	2.8
129.05486	32.4
131.08595	3.2
133.10246	3.0
135.11732	3.2
137.13268	46.8
145.04996	4.4
145.10132	4.4
147.06523	19.1
149.06017	3.9
149.13249	3.1
151.11110	2.5
153.01833	4.5
155.14322	48.0
159.11688	2.5
161.13310	4.1
163.06013	7.1
167.07047	18.2
173.15402	20.4
177.05524	2.6
185.63171	2.4
191.14325	3.5
209.08162	6.3
221.15398	4.2
238.32918	2.3
239.16399	2.9
247.17056	5.9
255.08760	2.3
256.35373	2.7
265.18051	8.6
273.09689	3.8
283.12985	2.8
283.15817	3.7
283.19049	3.9
288.79745	2.6
301.19937	5.7
309.12003	4.0
418.90836	2.3
481.19550	5.4
498.18817	3.7
498.26660	2.6
499.19843	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	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63446	0.8
55.05510	2.1
57.03433	5.9
59.05005	1.6
64.90031	0.7
67.05505	2.9
69.03427	1.0
69.07061	2.3
69.14456	4.4
71.04993	39.8
71.08630	48.7
73.02916	1.6
75.04479	3.1
79.05481	1.0
81.03406	1.4
81.07077	3.0
83.04977	6.4
85.02903	55.0
87.04478	1.6
90.30900	0.7
97.02901	2.4
99.08091	100.0
100.08426	1.0
107.08575	1.0
109.02905	1.1
111.04453	4.8
121.10185	1.2
127.03922	2.6
129.05473	19.3
129.12756	9.7
133.10150	1.0
135.11714	1.0
145.05028	1.4
146.51462	0.9
147.06508	9.9
149.13272	0.8
152.07007	0.8
155.08586	4.2
155.14268	5.5
159.11658	1.0
166.43874	0.8
173.15369	75.8
174.15799	1.2
177.12827	1.2
208.10098	0.8
241.25061	0.9
243.15987	1.5
255.08559	1.7
255.11139	1.5
269.17471	3.9
273.12427	1.3
281.09366	4.0
299.10226	1.6
301.19751	1.1
309.11758	1.1
333.14392	1.1
359.12344	6.3
462.16727	3.0
480.17587	4.5
490.13876	1.0
498.17963	4.7
498.28204	1.4
499.25003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07680	1.3
55.01869	1.8
55.05503	8.1
57.03434	6.2
64.84730	1.4
65.66505	1.3
67.05505	37.2
69.07066	10.5
69.24596	6.7
71.04997	2.0
79.05499	18.9
81.03403	1.9
81.07058	45.5
83.04983	4.4
83.08623	8.8
83.34648	1.5
85.06530	2.9
91.05482	17.7
93.07048	31.7
95.04993	4.9
95.08598	15.1
97.06538	5.3
97.10173	1.8
99.08081	2.4
103.50175	1.5
105.07046	8.3
105.07650	1.4
107.08598	15.1
109.10161	3.2
111.08100	3.5
117.07028	6.4
119.08583	4.4
121.06528	2.1
121.10126	9.5
129.06982	2.1
131.08553	11.9
133.10115	9.4
135.11642	4.8
143.08575	2.7
145.10135	3.0
149.13268	11.1
155.08522	1.7
159.11673	6.7
177.12738	3.5
195.13820	9.8
251.16347	2.3
269.17462	62.1
281.34540	1.6
295.87872	1.8
353.24988	4.0
371.25531	2.5
389.27228	2.4
438.16077	2.9
445.29517	17.3
463.30560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20184	0.9
55.01866	2.4
55.05512	10.2
57.03433	10.6
57.07076	1.8
57.13182	0.9
58.06603	15.4
59.07380	5.8
60.08165	4.1
64.03458	1.1
65.03955	1.5
67.05504	42.5
69.07064	16.8
71.04987	3.0
75.04480	2.0
79.05490	22.0
81.03440	1.3
81.07055	55.9
83.04968	5.6
83.08609	7.9
85.02890	1.5
85.06548	2.5
87.04453	3.7
91.05464	12.1
93.07040	42.5
95.04989	3.2
95.08601	15.1
97.06529	8.5
97.10193	1.1
98.23517	2.4
99.08087	2.0
105.07001	5.1
107.07887	0.8
107.08585	21.1
109.10150	3.0
111.08086	5.2
113.09646	1.4
117.06989	6.2
119.08553	2.0
121.10146	14.1
123.11698	2.0
124.93806	1.5
131.07068	1.0
131.08556	4.9
133.10124	5.3
135.11642	5.2
139.11157	1.5
144.10185	6.0
149.13243	26.7
159.11707	12.4
162.11316	2.8
165.68944	0.9
167.98035	1.5
177.12743	6.5
195.13779	9.8
213.14842	1.3
223.75462	1.1
236.14909	61.1
260.94836	1.0
269.17465	93.9
270.17874	1.5
437.20474	4.4
463.30524	100.0
464.31000	2.8
480.36771	13.8
498.25760	4.1
498.37875	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48340	1.9
53.03929	3.3
54.40207	2.2
55.05511	13.1
57.03430	13.1
57.07072	4.0
58.06586	3.7
58.17456	2.0
60.08167	5.0
64.38766	1.9
67.05508	53.9
69.07064	20.1
71.04987	4.3
79.05489	28.1
81.07060	73.7
83.04967	5.6
83.08611	17.0
85.06510	5.2
86.09712	6.4
89.06086	2.6
90.46998	2.4
91.05482	21.7
93.07042	50.7
95.04966	8.4
95.08608	21.6
97.06546	10.5
99.08117	3.5
104.10741	10.7
105.07047	5.3
105.11046	3.7
107.08585	25.5
109.10136	3.3
111.08099	4.9
113.06001	2.5
117.07021	8.1
121.10157	13.5
123.11686	3.9
129.06898	1.9
130.97321	2.6
131.08574	7.3
133.08586	2.6
133.10153	11.2
135.11681	8.2
149.13268	27.3
159.11700	16.1
177.11343	2.6
177.12782	6.7
184.07365	9.1
185.07602	4.2
195.13770	17.0
213.14810	2.9
236.14899	9.8
269.17487	97.4
403.26401	5.4
445.27280	3.6
463.30591	100.0
464.30801	3.4
498.37299	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	498.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.17964	0.4
55.01873	0.7
55.05521	3.6
55.23376	0.4
57.03439	8.6
57.07048	1.2
58.06600	29.2
59.04980	0.6
59.07383	9.1
59.55427	0.4
60.08163	9.3
62.21986	0.4
65.03928	0.6
67.05505	18.0
69.06721	0.5
69.07067	7.3
71.04961	1.3
73.02901	0.8
75.04487	3.6
79.05499	8.6
79.30585	0.5
81.07059	19.2
83.04958	1.6
83.08624	3.4
85.02906	2.4
85.06518	1.2
87.04469	4.8
91.05490	4.5
93.05496	0.7
93.07044	12.9
95.04961	2.0
95.08614	6.3
97.06531	2.8
97.10143	0.6
99.08086	1.1
101.05937	0.5
103.03909	0.8
105.04515	0.6
105.05486	1.0
105.07019	2.3
107.08595	7.3
109.06521	0.4
109.10125	1.4
111.08064	1.7
113.06024	0.6
117.07000	1.2
119.08567	0.8
121.10144	4.3
123.11700	0.8
127.07529	0.4
129.04062	0.4
131.07022	1.7
131.08559	1.9
133.10110	1.7
135.11661	1.7
142.93271	0.3
144.10201	8.3
149.13261	6.4
155.13797	0.4
159.11659	3.2
162.11256	4.2
177.12755	1.3
195.13814	3.3
200.12769	0.4
216.65018	0.4
218.13904	0.6
236.14928	100.0
237.15173	1.2
247.03809	0.4
269.17474	20.0
298.66733	0.4
308.81409	0.5
321.58249	0.4
374.91083	0.4
436.37888	0.6
437.20370	0.8
463.30576	24.3
464.30942	0.8
480.36829	19.9
481.37231	1.2
498.37903	71.3
499.38614	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
57.07076	35.4
59.04999	0.9
67.05482	0.8
69.07064	1.8
71.08630	28.1
73.06566	6.9
81.07047	1.3
83.08613	2.2
84.67418	0.7
85.10178	21.9
85.98499	0.7
87.04475	3.7
89.06029	100.0
91.07582	1.1
97.10139	3.7
99.11722	3.7
106.50381	0.7
107.07072	2.0
111.11699	0.8
113.13300	2.1
117.09129	5.1
130.08644	2.1
131.07047	1.0
133.08603	51.1
137.83643	0.7
155.17984	4.7
155.23550	0.7
177.11212	19.8
195.12244	0.7
199.20580	4.6
221.13855	4.5
226.43170	0.7
239.14998	2.2
240.23309	1.2
243.23209	9.3
283.17343	3.3
287.25827	6.8
311.44678	0.7
327.20111	11.1
332.65829	0.8
393.31979	1.2
437.34790	2.0
481.37354	22.3
482.37469	1.0
498.33389	1.0
498.40234	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	499.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03056	0.4
69.62434	0.9
69.62846	1.3
136.94037	1.2
162.95633	0.7
175.44765	0.4
218.75049	0.4
239.68768	0.5
268.69241	0.4
268.98245	100.0
269.98666	0.9
302.25909	0.5
338.76395	0.4
364.74887	0.5
406.91254	0.4
434.95627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.6
51.02385	1.1
60.63066	0.6
61.52541	0.6
65.03947	1.1
69.03415	1.5
69.33839	1.3
69.34238	2.2
71.05039	0.6
73.46030	0.6
79.01865	6.6
79.05503	0.9
81.03414	1.9
83.04971	0.8
85.02919	5.4
85.67116	0.6
93.03404	1.2
97.02908	1.7
98.23367	1.9
103.03959	1.6
107.01315	1.9
109.02894	1.0
111.04445	1.9
111.96608	0.7
119.04965	0.8
125.02360	3.5
126.03101	0.6
127.03941	0.8
131.04944	0.7
137.02377	7.4
137.03403	1.2
138.03157	0.8
139.03925	3.6
143.03416	8.1
147.04462	0.9
150.03130	2.8
151.03928	1.2
153.01843	100.0
153.02937	6.4
154.02202	1.9
155.03436	5.5
157.05035	0.8
163.03831	1.1
166.02663	0.8
166.04945	0.9
167.03413	18.1
167.04820	1.0
171.02850	0.7
171.06334	1.1
175.03973	0.9
177.01797	4.8
178.02621	0.8
179.03456	1.3
180.00577	1.3
181.04976	16.9
187.03944	1.1
191.03401	2.6
193.04929	1.2
194.02130	4.0
195.02870	8.2
197.04536	1.7
204.04163	0.9
205.04991	2.1
209.04465	40.0
213.03957	1.1
219.06624	1.5
221.04453	1.8
227.05431	1.0
233.04424	2.4
247.06042	2.3
251.05502	3.8
255.05061	5.4
258.65656	0.7
263.05423	1.1
273.12473	0.6
275.05527	5.2
293.06570	3.9
301.12003	1.0
311.07770	1.8
319.12680	1.5
481.09943	0.9
494.82562	0.7
497.80322	0.6
499.14252	21.6
499.21625	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	499.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15331	0.3
65.03942	1.7
69.03416	0.4
70.61620	0.6
71.04996	0.3
76.03166	0.6
77.03955	0.4
80.06276	0.3
81.03426	1.0
85.02915	0.5
89.03928	1.2
91.05476	21.4
98.23378	0.4
101.03912	0.5
103.05455	0.6
104.02634	0.3
109.02907	0.6
118.04149	0.6
119.04938	31.5
121.02859	0.4
129.03384	0.7
129.04419	0.3
131.04968	0.4
132.02057	1.9
133.02881	0.6
135.04388	0.6
136.05168	0.6
145.02837	0.7
146.03622	0.7
147.04402	27.1
149.02353	1.9
157.03964	4.4
164.04715	1.3
174.03140	0.7
175.03902	48.1
176.04306	0.7
179.07033	2.6
192.04150	1.0
207.06511	100.0
208.06871	1.5
225.07469	0.4
351.10657	2.1
369.11691	2.2
485.38342	0.3
499.21326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2158
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
54.92839	0.3
55.05500	0.4
68.08595	0.3
69.07049	0.4
69.23146	1.9
71.05000	0.7
76.26954	0.3
81.07088	0.7
85.02926	0.8
85.06557	0.4
93.07043	0.5
95.08628	0.5
97.06543	0.4
98.23434	0.6
107.08598	0.7
109.10139	0.6
119.08620	0.5
121.10175	0.4
123.11713	0.4
133.10118	0.4
135.08211	0.3
145.10126	0.4
161.69362	0.3
185.04250	0.8
191.10445	0.4
239.02768	0.3
302.14752	0.4
331.10004	31.3
332.10175	0.5
333.61969	0.3
349.11267	0.3
499.21515	100.0
500.21869	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	499.2179
Annotation	Brianodin D
Peak:m/z	Relative Intensity
53.03959	4.3
55.01872	8.5
55.05503	6.0
56.22046	1.3
57.03443	3.6
57.07075	2.0
65.03974	1.4
67.05521	9.0
69.03440	13.1
69.07082	10.2
70.41516	2.1
71.04990	9.0
73.02923	1.2
79.05500	15.4
81.03427	31.0
81.07066	26.4
83.05000	5.0
85.02912	6.3
85.06553	9.4
91.05483	10.1
92.38258	1.2
93.07056	44.2
93.78584	1.2
95.04977	8.3
95.08609	10.1
97.02914	3.7
97.06548	16.1
98.22810	1.4
98.23350	1.4
99.04458	15.0
101.06021	2.1
103.05487	1.6
105.07043	34.1
107.04951	2.7
107.08601	50.1
108.08973	1.5
109.02894	36.3
109.06548	12.9
109.10181	2.9
111.04473	2.8
111.08092	7.7
113.06023	5.6
117.07059	5.2
117.59950	1.4
119.08614	10.5
121.06514	17.8
121.10163	41.4
122.06030	1.6
122.10465	1.1
123.04495	1.6
123.08088	8.7
125.05949	2.2
127.03934	23.6
127.07607	3.8
129.07008	1.6
130.07785	2.7
131.08574	3.3
133.06558	1.9
135.08096	6.7
135.11700	13.2
136.86679	1.1
137.09627	2.2
139.07613	1.9
139.11214	3.6
143.08566	2.0
145.10144	34.9
147.04463	2.1
147.08116	2.1
147.11710	5.2
149.06039	2.8
149.09639	19.4
151.07550	8.1
157.08722	1.4
157.10017	1.4
161.09669	2.0
163.11197	100.0
164.11642	2.2
167.10687	31.0
167.11996	2.2
168.11110	1.4
169.08626	69.9
170.08961	1.5
173.09645	7.9
181.12250	21.7
185.11769	8.9
189.09062	2.4
191.10687	50.3
203.55116	1.1
204.21867	1.2
209.11755	54.2
227.12799	93.1
228.13107	1.7
269.13815	3.6
270.08466	2.1
271.13318	4.5
277.10941	1.8
288.92709	1.1
289.14471	6.8
292.62988	1.5
293.13916	1.3
299.12790	1.5
302.11014	2.0
317.13980	4.9
335.14908	3.6
353.15973	44.8
354.16687	2.6
371.17050	11.7
415.25656	1.2
499.19522	3.2
499.28281	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	500.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
56.68004	0.3
57.03434	1.3
57.32411	0.3
61.02921	1.2
69.03432	9.8
70.68896	0.4
71.04974	0.4
73.02907	0.5
81.03420	3.4
85.02908	2.5
97.02896	1.4
98.97599	1.5
99.04459	1.0
109.02908	0.9
110.97566	0.9
116.98611	0.4
119.04962	0.5
127.03946	1.4
131.04922	0.7
145.04980	0.6
157.02806	0.4
170.99483	0.3
175.03922	1.6
178.25363	0.3
185.02272	0.5
187.03900	2.2
203.03322	2.3
213.01819	3.0
215.03375	3.0
219.01846	0.9
231.02875	15.6
237.02859	0.5
241.01303	3.0
247.02383	0.6
259.02380	25.4
260.02856	0.4
275.01855	0.9
277.03424	100.0
278.03842	2.1
303.01349	12.2
304.01761	0.4
308.54681	0.4
321.02396	2.1
333.52301	0.3
397.06229	0.6
414.73489	0.4
440.12762	0.4
465.06625	1.9
483.07620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01870	1.5
65.03942	6.0
67.05497	0.9
68.99770	0.8
69.03422	3.3
81.03403	4.0
85.02906	6.4
93.03403	9.7
97.02903	1.6
107.01324	1.1
107.30260	0.7
109.02880	2.9
111.03677	1.3
111.04442	25.4
127.03928	3.2
137.02347	100.0
137.03430	6.5
138.02652	0.9
139.03902	54.3
141.44891	0.6
143.03337	0.9
145.04918	0.8
153.01836	10.4
153.02934	0.7
154.02209	3.5
155.03389	76.6
167.03397	61.3
168.03741	1.6
178.54424	0.7
181.05016	1.0
209.04472	2.8
210.04831	2.6
258.49850	0.7
259.02414	0.9
277.03479	2.5
500.14450	10.6
500.21075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91567	3.0
55.05513	21.7
57.03440	26.4
57.89628	2.8
67.05508	58.9
69.03435	4.3
69.07060	16.4
69.51614	8.8
69.51958	5.9
71.05010	6.2
79.05495	59.0
81.03413	57.7
81.07056	34.7
81.52574	3.0
83.04984	17.6
83.08635	19.7
85.02916	17.1
85.06532	3.0
89.88297	3.1
91.05479	39.7
93.07044	48.8
95.04972	22.2
95.08606	13.7
97.06540	8.1
97.10188	10.1
105.07043	19.2
106.98049	3.0
107.04952	9.4
107.08593	29.1
109.10171	5.3
111.08088	6.3
115.05531	3.2
117.07053	6.7
119.08579	20.4
121.10156	9.8
129.07014	6.8
131.08583	9.7
133.06500	3.4
133.10144	10.3
135.11703	52.4
137.09598	4.3
142.07750	3.3
145.10098	7.8
147.11688	7.8
149.09599	3.9
157.10127	9.6
163.11217	7.3
175.11176	10.8
181.12219	12.5
193.12218	42.2
211.13307	61.1
242.39999	3.1
255.15915	100.0
267.15884	26.5
285.16986	46.3
447.27402	32.8
465.28537	80.7
528.48529	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	501.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.3
69.03426	7.5
81.03426	3.5
85.02920	5.8
88.36130	1.9
97.02895	2.3
98.97551	3.7
127.03923	3.9
150.26630	2.2
231.02980	2.4
232.03246	7.0
246.94139	2.9
256.06940	2.4
259.02359	6.1
260.02704	8.7
262.18732	2.3
268.98315	2.6
270.98102	2.5
277.03430	28.9
278.00958	4.2
278.03790	46.4
304.01685	4.6
327.35388	2.2
355.33063	2.1
452.22986	2.1
501.01764	5.2
501.10458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
59.26174	0.5
67.05505	1.0
69.07078	1.3
71.04981	1.0
78.24088	0.5
79.05509	0.7
81.07069	3.1
83.04994	0.6
85.02925	1.1
91.05460	0.6
93.07063	1.4
95.08620	1.8
97.10186	1.1
98.22758	1.8
98.23440	1.4
105.07048	0.6
107.08649	0.7
109.10195	1.2
119.08614	1.0
121.10160	0.6
123.11741	0.7
127.03846	0.7
133.10150	0.7
135.11716	0.7
147.11646	1.1
185.04254	1.5
232.23643	0.6
251.56404	0.8
303.23248	1.1
305.35849	0.6
321.24319	1.9
331.10010	30.1
463.77097	0.6
501.23108	100.0
501.29611	5.6
502.23303	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	501.3063
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	2.2
55.05516	16.3
57.03444	11.6
57.07064	2.1
58.34640	0.7
59.04982	0.8
61.02934	3.7
65.03936	0.8
67.05511	8.2
69.03437	15.8
69.07071	11.6
69.25062	4.4
71.01347	0.8
71.04996	2.8
73.02924	24.8
79.05492	5.4
81.03429	8.4
81.07063	20.8
83.04984	2.9
83.08630	3.2
85.02914	25.1
85.06545	2.7
87.04491	1.6
91.05484	7.9
93.07052	10.7
94.07401	1.0
95.04994	6.8
95.08613	16.2
97.02900	21.0
97.03491	1.6
97.06544	3.2
97.10178	26.3
98.23228	3.0
99.04475	2.0
99.08093	1.3
105.07043	12.1
107.04942	1.5
107.08600	12.1
109.02890	9.9
109.06545	3.3
109.10163	10.8
111.04474	1.6
111.08079	2.9
111.11742	1.4
115.03942	13.4
117.06993	2.0
119.08588	7.6
121.06536	1.4
121.10152	8.9
123.08089	2.7
123.11731	8.3
125.09647	5.6
127.03934	9.6
127.11216	1.0
129.06987	1.9
131.08580	41.1
133.04996	3.8
133.10133	5.4
135.08029	2.2
135.11732	5.2
137.00352	0.7
137.09642	2.9
137.13286	1.4
138.88541	0.8
139.11189	3.8
142.07762	0.9
143.08582	2.4
143.10710	7.2
145.04967	9.2
145.10139	6.5
147.08069	1.9
147.11737	4.4
149.09702	1.5
149.13269	4.0
150.07628	1.8
151.07587	1.6
151.11185	1.9
151.14812	1.5
153.09102	0.9
153.12782	0.8
155.08585	1.4
155.10750	0.8
157.10146	1.9
157.12248	1.8
158.10924	0.8
159.11668	5.8
161.09627	2.2
161.13310	3.0
163.06044	3.3
163.07410	1.2
163.11189	2.4
165.09151	1.7
165.12791	2.2
171.10295	1.3
171.11723	2.8
173.13274	100.0
175.11218	1.9
175.14848	2.1
177.12788	1.6
180.08809	0.9
185.13313	2.7
187.14853	2.0
189.11246	2.4
189.12805	1.4
197.13069	0.8
213.12775	1.3
215.14272	1.5
223.05992	1.2
239.14319	1.0
241.07077	2.8
245.15631	0.9
247.17120	0.8
259.08185	2.2
275.23724	1.8
285.22153	1.1
295.10233	1.7
303.23224	6.5
309.24057	0.9
321.24243	5.0
331.10300	0.9
333.10593	1.0
339.25223	1.1
353.19986	1.2
369.21585	1.0
383.25772	0.9
411.25232	1.6
417.26437	1.0
429.26306	4.9
447.27417	8.3
453.28351	1.6
465.28506	10.4
466.28680	1.6
483.29666	3.1
501.16046	1.4
501.22113	6.8
501.30231	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03939	1.4
57.03434	0.5
65.09743	0.3
65.37949	0.3
69.01051	0.3
69.03419	3.2
69.30980	1.4
69.31380	0.6
73.02917	0.4
79.01847	2.5
81.03417	8.2
85.02903	2.7
97.02888	6.1
99.04432	1.2
107.01315	2.0
108.04477	0.8
109.02879	5.0
118.95284	0.4
125.02342	3.5
127.03918	6.8
139.71487	0.3
143.03403	3.7
145.04942	1.5
147.00569	0.3
152.81599	0.3
153.01822	100.0
153.02864	4.2
154.02176	0.9
171.02875	12.5
214.21291	0.3
215.03659	0.4
237.03905	0.4
297.06049	12.6
315.07086	12.1
389.10922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.1
55.05510	10.9
57.07076	12.9
61.02926	3.7
67.05465	2.1
67.61461	1.1
69.03427	4.8
69.07068	97.5
70.07381	1.2
71.46892	1.3
77.00500	1.1
81.03426	2.8
83.08119	2.0
83.08617	39.5
85.02405	1.7
85.02908	30.7
87.21446	1.3
93.07053	1.1
97.02891	8.5
97.10204	1.1
98.97591	2.4
109.02863	1.4
125.13245	7.1
127.03909	5.6
143.14308	100.0
145.04965	9.2
153.01825	10.7
153.02940	1.5
161.15367	29.2
161.16669	2.2
163.05989	4.5
177.05730	1.1
188.02711	1.2
210.04802	1.1
279.09232	1.8
502.16116	2.8
502.22818	4.0
503.08038	25.2
503.19583	2.2
503.24463	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1895
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
51.84893	0.8
55.05510	1.5
56.14126	0.8
57.03437	3.9
61.02927	1.1
67.05513	1.6
69.03432	1.8
69.07069	2.4
69.34868	0.8
70.31115	2.2
73.02932	12.8
81.07056	3.7
85.02900	4.2
85.06561	1.1
87.14965	0.8
93.07073	2.1
94.28250	0.9
95.04984	2.0
95.08635	2.2
97.02917	3.8
97.10222	0.9
98.23231	1.8
99.04459	1.0
104.99270	0.9
105.07056	1.7
107.08610	2.3
109.10179	2.2
114.48632	0.9
115.03931	3.4
119.08590	2.0
121.10146	1.6
123.08076	3.3
123.11721	2.0
131.08557	1.1
133.10172	2.9
135.08081	3.0
135.11720	1.3
143.18771	0.8
147.11679	1.1
149.13301	1.7
159.11787	1.0
165.12775	3.4
173.13274	2.4
191.14360	7.2
193.15918	1.7
209.15462	2.9
256.54898	0.9
299.06244	1.2
328.69974	0.9
338.96884	1.9
382.35431	1.1
389.15176	1.0
432.40405	1.0
503.18842	100.0
503.24771	7.4
503.31757	12.5
504.19202	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	503.1898
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
63.03417	0.7
69.03424	0.7
69.07068	0.7
69.78361	2.4
71.04957	0.8
85.02898	1.2
106.60994	0.7
109.06511	0.7
109.10139	0.8
133.10130	2.5
137.06024	1.2
147.11734	0.8
153.01884	0.9
176.91138	0.7
182.37050	0.8
191.14354	2.5
209.15323	1.4
255.98184	0.8
267.08981	1.5
285.09961	1.1
287.30817	0.8
503.18875	100.0
504.19290	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	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01864	1.5
55.05499	1.1
55.97464	0.7
63.09703	0.7
67.05497	1.9
69.03429	1.7
69.07059	11.1
71.04998	1.4
72.73682	0.6
73.02923	1.5
79.05475	0.9
81.07055	3.3
83.04974	0.9
83.44063	0.6
85.02906	4.1
85.65777	0.7
91.05486	2.5
93.07032	9.0
95.04958	1.0
95.08608	4.8
95.79630	0.7
97.02886	1.2
97.06523	1.3
97.10149	0.8
104.93269	0.6
105.07001	2.8
107.08587	8.5
109.06529	4.7
109.10160	2.4
111.08085	1.0
117.07033	0.8
119.08563	2.9
121.06496	10.1
121.10149	8.1
123.08053	2.3
123.11676	1.4
127.03902	1.2
131.08580	3.6
133.10106	7.0
135.08034	6.2
135.11668	2.2
137.09610	1.2
139.11122	0.9
145.04889	0.7
145.10066	1.9
147.11674	21.7
149.09596	2.9
149.13266	6.3
158.10889	0.9
161.09650	2.5
163.11195	0.8
163.14813	1.6
165.09055	0.7
173.13269	8.7
176.12016	1.3
191.14296	100.0
192.14630	1.9
208.12975	0.7
209.15355	17.6
216.23090	0.8
371.19998	1.3
503.13165	1.1
503.19641	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	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64734	0.9
55.01871	0.9
55.05511	2.6
57.03443	2.4
57.07093	1.0
59.05000	7.2
61.02938	1.3
67.05502	3.2
69.03441	4.3
69.07065	6.7
69.22987	6.3
71.04990	12.8
73.02906	4.9
79.05503	1.5
81.03432	1.4
81.07072	4.3
83.04993	1.9
83.08616	5.0
85.02907	11.2
85.06538	1.3
90.93306	1.2
91.05508	3.2
93.07050	11.7
95.04989	1.4
95.08613	17.2
97.02892	6.8
97.06525	6.1
99.04451	22.8
104.16023	0.9
105.07058	4.3
106.00006	1.0
107.08598	17.0
107.09262	1.4
109.02902	1.3
109.06522	4.5
109.10142	11.2
110.67312	1.0
111.08093	5.5
111.11767	1.9
114.52024	0.8
115.03941	2.3
119.08582	4.9
121.06535	1.9
121.10134	13.3
121.10993	1.1
123.08105	4.2
123.11704	1.8
125.09696	2.0
127.03990	1.5
131.08586	2.7
133.04953	1.5
133.10117	7.2
135.08078	4.9
135.11705	2.9
137.09657	1.8
139.07542	5.9
139.11211	3.5
145.04970	1.9
145.10136	1.4
147.11681	5.0
149.09656	2.0
149.13252	10.5
151.11201	10.8
153.01897	1.2
153.09158	1.7
154.02171	1.1
158.10944	1.6
163.06000	1.5
163.14795	9.4
165.12785	3.0
167.14348	4.5
173.13251	9.3
191.14314	22.5
191.15942	1.7
192.14738	1.3
209.15364	100.0
210.15785	1.6
212.73927	1.0
219.81523	0.9
256.82837	1.1
298.20178	1.2
341.24225	2.5
357.18857	2.0
371.20810	2.8
374.97961	2.4
392.99106	1.3
410.98035	1.1
503.18967	8.6
503.24814	62.5
504.25223	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	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.01866	1.5
55.05515	0.7
56.65409	0.7
61.02914	1.1
67.05502	0.8
69.03426	2.8
69.07075	9.6
69.31860	0.8
70.02441	0.7
71.05003	1.1
71.48499	0.8
73.02911	1.3
79.05509	1.6
81.03347	0.9
81.07063	3.2
83.04981	1.3
85.02908	4.1
91.05482	2.2
93.07054	8.2
93.11215	0.8
95.08619	2.9
97.02919	1.7
97.06519	1.4
99.04507	1.0
105.07051	3.1
107.08592	5.9
109.06515	4.1
109.10183	1.7
119.08585	2.8
121.06509	9.8
121.10160	6.5
123.08090	1.7
123.11699	0.9
127.03918	1.1
127.45058	0.7
131.08583	2.6
133.10107	4.8
135.08061	4.8
135.11705	2.7
137.09586	1.0
137.13319	1.3
139.11189	1.0
145.05060	0.8
145.10107	1.3
147.11696	22.7
149.09587	4.1
149.13274	5.3
158.10934	1.7
161.09610	3.1
163.11209	0.9
163.14806	1.2
173.13283	7.3
176.12018	1.6
181.65721	0.8
191.14311	100.0
192.14696	1.4
209.15399	9.0
222.66278	1.0
229.69370	0.9
232.72229	0.8
288.55438	1.0
322.14856	0.8
470.40472	0.9
503.24521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2495
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
51.01761	1.6
51.71989	1.6
55.01878	2.5
55.05505	3.7
57.03440	3.5
57.07075	3.3
61.84075	1.7
65.64191	2.0
67.05487	3.4
69.03429	7.1
69.07076	3.6
69.22638	11.7
71.04991	4.2
73.02917	5.1
79.05492	4.5
79.49851	1.7
81.07037	3.2
85.02904	10.0
85.03353	1.5
85.06544	3.0
91.05468	4.5
91.31856	1.7
93.07048	4.5
95.04935	4.6
95.08608	6.5
97.02894	5.8
98.23420	3.7
105.07030	3.9
107.08596	18.5
109.06531	77.3
109.10167	18.7
111.08091	2.0
115.03931	2.7
117.07032	1.8
119.08628	2.1
121.10162	9.2
123.08071	13.3
124.80850	1.7
131.08586	10.1
133.09172	3.3
133.10146	44.2
135.08072	30.1
135.11673	2.2
137.05989	2.0
137.09642	19.5
143.38426	2.0
145.10205	2.6
147.11664	5.8
149.09641	2.4
149.13260	8.3
151.11227	5.2
153.09146	4.2
158.10928	2.5
163.14784	2.4
165.12700	3.7
173.13278	18.4
191.12584	2.7
191.14328	92.4
209.15390	100.0
316.23227	1.9
323.18393	2.2
503.18823	9.9
503.25803	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71956	0.3
55.05507	0.9
57.03431	0.6
67.05506	3.1
69.07065	1.0
79.05492	1.3
81.07040	3.2
83.08635	0.7
90.45668	0.3
91.05492	0.9
93.07043	2.6
95.05016	0.4
95.08614	1.2
97.06515	0.5
105.07057	0.8
107.08596	1.6
109.10165	0.7
117.07021	0.7
119.08585	0.5
121.10152	1.2
131.08598	0.7
133.10117	0.6
149.13237	1.6
159.11691	0.8
160.97911	0.4
210.74110	0.4
235.13029	8.2
269.17462	0.5
291.15659	7.4
350.38361	0.4
368.95377	0.4
397.76129	0.4
420.97037	0.5
503.29779	100.0
504.30099	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	503.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03450	0.5
67.05508	3.7
69.07072	1.1
71.04984	0.4
79.05486	1.9
79.82568	0.3
81.07063	3.7
83.08612	0.7
91.05489	1.2
93.07023	2.2
95.04938	0.4
95.08600	0.8
97.06525	0.5
98.23533	0.7
105.07030	0.5
107.08600	1.7
109.10190	0.9
111.08099	0.5
117.06998	0.6
119.08604	0.5
121.10159	1.0
128.54665	0.4
131.08604	0.6
147.06044	0.3
149.13272	1.3
159.11684	0.7
163.35814	0.3
164.53918	0.3
235.13057	7.4
256.26859	0.4
269.17630	0.8
275.20068	0.4
291.15686	7.8
315.16409	0.3
317.13535	0.3
357.02063	0.4
364.98770	0.3
420.97046	0.5
432.71976	0.3
503.29794	100.0
504.30164	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42212	0.5
55.05513	1.6
67.05517	5.0
69.07073	1.4
69.24439	3.2
75.36813	0.6
79.05505	2.1
81.07073	3.6
83.08648	0.9
91.05482	1.9
93.07045	2.5
95.08632	1.4
97.06568	0.6
104.99255	0.8
105.07072	1.1
107.04961	0.7
107.08599	1.7
109.10175	1.5
117.06986	0.7
119.08602	1.3
121.10178	1.0
131.08597	0.9
133.10150	1.6
135.11682	0.7
145.10118	0.7
149.13277	0.8
156.34341	0.6
212.37062	0.6
235.13055	5.5
257.19064	0.7
269.17343	1.0
275.20026	1.6
291.15701	4.0
331.26328	0.9
338.96844	1.0
420.96988	0.9
503.29810	100.0
504.30112	4.0
507.10657	0.6
528.79565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23867	0.9
52.51201	1.2
53.03949	3.2
55.01873	3.7
55.05255	1.5
55.05512	23.2
55.26416	0.9
56.88260	0.9
57.03441	4.7
57.07071	6.8
59.05012	2.2
60.85612	0.8
61.02918	1.4
65.03932	1.7
67.05154	2.0
67.05503	28.2
67.05862	1.6
69.03427	14.5
69.07068	43.9
71.04652	1.3
71.04989	7.4
71.08639	1.6
71.22440	1.6
73.02909	5.0
77.03912	1.2
79.05491	18.9
79.65493	0.9
81.03418	20.6
81.03897	1.2
81.07056	100.0
83.04985	4.9
83.08624	12.7
85.02895	12.2
85.06545	8.6
91.05463	14.5
93.07045	42.6
95.04967	8.2
95.08607	77.9
97.02891	11.7
97.06525	10.0
97.10168	23.0
99.04458	4.9
99.08067	4.9
105.04507	1.7
105.07027	20.9
107.04985	2.3
107.08595	45.1
109.02879	21.3
109.06516	29.7
109.10157	34.0
111.04468	4.7
111.08081	18.6
111.11704	8.0
115.03895	2.5
115.05416	1.1
117.06976	2.5
119.08588	17.4
121.06518	2.2
121.10139	31.7
121.10985	2.0
123.08095	5.7
123.11711	55.2
125.09647	5.4
125.13171	0.9
127.03915	15.0
127.07490	1.2
128.06180	1.2
129.07016	2.0
131.08563	13.1
133.04958	1.4
133.06459	1.3
133.10121	23.2
135.08043	13.2
135.11685	19.1
135.12648	1.7
137.09607	2.7
137.13251	17.3
139.11180	16.6
141.09076	1.0
141.12750	3.7
143.08582	5.3
143.10597	1.6
145.05005	1.7
145.10114	10.6
147.08058	1.8
147.11694	16.9
149.09598	2.8
149.13258	36.5
151.11156	5.8
151.14818	3.5
153.12779	10.1
155.08566	1.1
155.14342	2.9
157.10147	4.0
157.12244	10.7
158.10875	1.2
159.08014	2.5
159.11682	9.7
161.09636	3.2
161.13255	11.8
163.07503	1.9
163.11156	1.6
163.14799	7.6
165.09111	2.3
165.12758	4.9
167.14348	1.5
169.10094	1.4
169.12221	4.4
171.07986	1.0
171.11679	1.9
171.13860	2.7
173.09657	2.3
173.13258	21.0
174.13554	6.2
175.11211	1.9
175.14793	4.5
177.09218	1.7
177.12682	2.1
177.16339	1.6
179.14310	1.6
181.15916	1.1
185.09660	2.0
185.13269	2.7
187.11191	2.6
187.13307	8.8
187.14835	3.0
189.12784	2.4
189.16444	4.3
191.14296	21.7
193.15924	1.7
195.13724	1.2
195.17424	1.1
199.14833	1.8
201.12733	2.0
201.16393	1.8
203.10799	2.1
203.12781	3.1
203.14476	1.3
203.17975	2.6
205.15816	1.7
207.17468	1.3
209.13403	1.5
209.15343	19.7
209.17194	1.5
213.12766	1.9
213.16388	2.4
215.14343	2.0
215.17957	1.8
217.19577	1.6
219.17455	1.9
221.15268	1.6
223.17044	1.1
225.12825	1.3
229.15932	1.6
231.13867	1.6
231.17496	1.8
235.17038	1.4
235.20409	1.2
237.18463	1.9
239.14407	1.5
245.15459	1.2
249.18456	3.1
257.15561	1.0
257.22745	1.4
259.24149	1.2
267.19495	2.2
269.22589	2.0
275.23773	3.8
277.25320	3.1
287.23660	4.6
288.23712	1.2
289.25418	1.2
293.24783	7.7
303.23141	3.1
305.24731	27.5
313.16434	9.1
323.25836	10.3
329.15952	1.1
329.24786	1.9
331.17490	2.0
335.25595	1.2
365.26846	1.8
367.26212	1.5
373.27350	1.3
383.25668	1.7
385.27066	2.0
389.26987	1.2
395.25821	2.8
401.26822	3.4
403.28461	1.3
413.26791	9.1
419.27759	3.2
431.27835	9.1
437.28854	8.0
449.29047	14.1
455.30109	5.6
467.30078	10.3
485.30844	2.6
503.18823	2.5
503.24881	22.1
503.36771	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.9
57.03424	5.0
64.28203	1.2
69.03426	4.8
69.07072	9.9
73.02922	7.0
79.05479	2.8
81.07059	10.8
83.08608	4.4
85.02901	4.8
89.99827	1.2
91.05499	5.2
91.45441	1.3
93.07059	6.4
95.08606	14.5
97.02882	4.9
99.95374	1.3
105.07035	12.7
107.07993	1.5
107.08607	12.4
109.10165	4.2
115.03915	4.5
119.08581	24.4
121.10141	13.6
129.89609	1.1
131.08568	2.5
133.10143	15.3
135.11687	4.8
147.11658	5.0
149.13260	5.9
150.07590	1.7
159.47900	1.3
175.14824	100.0
177.16386	85.1
178.16710	1.8
178.57877	1.2
193.15865	2.5
197.33044	1.5
286.57162	1.3
287.97223	1.7
306.71191	1.3
314.61856	1.3
410.76010	1.2
489.33405	1.4
504.24261	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	504.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.05522	17.1
57.03435	9.4
57.07066	4.1
60.56449	3.1
61.02923	9.2
62.06174	3.5
67.05513	75.4
68.10921	3.3
69.07072	12.4
71.05000	3.8
79.05501	64.1
81.07066	81.0
83.08619	8.5
85.02929	6.7
85.06561	12.8
90.22375	3.9
91.05478	29.4
93.07055	75.5
94.07362	3.5
95.04966	6.4
95.08616	63.1
97.06536	6.1
97.10223	3.6
98.23045	5.3
99.08118	10.8
105.07041	24.1
107.08604	43.6
109.06546	3.9
109.10162	39.8
113.09631	4.2
113.59362	3.7
117.07049	14.1
119.08588	29.1
121.10150	55.6
123.08163	4.9
123.11723	21.5
129.07008	4.6
131.08588	29.4
133.10170	24.9
135.08067	4.3
135.11711	61.1
137.09697	4.7
137.13242	6.8
145.10133	28.0
147.10710	3.1
147.11670	20.2
149.09587	6.1
149.13274	34.6
151.11211	7.4
159.11702	25.0
173.13304	22.3
187.14845	6.2
205.19530	14.8
215.17963	82.8
233.19008	100.0
243.15660	3.5
251.20074	7.2
307.22717	24.7
325.23801	24.6
369.71811	3.8
448.82227	3.4
520.16248	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	505.2776
Annotation	Mellerin B
Peak:m/z	Relative Intensity
51.08460	0.7
55.05513	0.8
57.03411	0.7
60.80305	0.6
64.20196	0.6
66.10862	0.7
67.05505	2.6
79.05477	1.8
81.03403	1.6
81.07088	1.5
85.02898	0.8
90.32281	0.7
91.05482	1.0
93.07059	1.6
94.46828	0.7
107.08590	1.3
107.21866	0.8
109.10133	0.8
119.08608	0.7
126.20595	0.6
131.08510	0.7
135.11694	2.0
151.07542	0.8
178.51906	0.8
204.48511	0.7
221.11501	4.7
221.13390	0.7
251.12576	4.2
277.14169	3.3
280.28171	0.7
307.15085	3.8
409.42386	0.7
505.27710	100.0
506.27991	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
57.03438	0.7
61.02919	1.0
65.03942	0.7
69.03435	1.7
69.53752	1.2
71.04999	0.7
79.13547	0.3
81.03424	0.8
85.02913	10.3
86.36200	0.3
87.04456	0.5
91.03973	0.6
91.05489	5.9
97.02900	3.2
98.22874	0.7
99.04485	0.5
109.02890	0.9
119.04955	17.3
123.04391	0.7
127.03924	2.5
129.05511	0.3
145.04951	3.7
147.04417	100.0
148.04776	1.3
153.01802	0.3
163.03848	0.5
163.05977	1.3
165.05489	50.9
166.05836	0.5
177.05504	0.5
180.08643	1.0
182.08044	0.4
195.06664	0.3
203.07079	0.4
218.68489	0.3
249.07581	0.8
273.07544	0.4
279.98016	0.3
309.09818	1.4
341.81616	0.3
344.13327	1.1
506.18826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.5
55.05522	40.8
57.03427	5.0
59.40139	3.6
67.05513	31.4
69.03423	5.9
69.07072	18.2
69.80167	8.7
69.80502	3.5
71.04977	6.1
79.05499	45.2
81.03416	4.7
81.07050	28.9
83.04993	7.2
83.08632	44.9
91.05489	23.6
93.07059	37.6
95.04979	9.1
95.08612	44.4
97.02862	3.5
97.10187	23.1
98.23058	11.7
105.07066	28.3
106.21962	3.5
107.08602	68.6
109.02895	5.0
109.06524	8.2
109.10168	12.3
111.08098	14.9
117.07037	9.4
118.08654	3.6
119.08584	14.5
121.06530	4.9
121.10160	42.1
123.08073	15.1
125.09660	20.9
131.08562	13.3
133.10123	34.8
135.08041	6.7
135.11690	10.6
137.09654	7.1
141.09143	5.3
143.08556	9.0
145.10168	18.2
147.08058	7.3
147.11676	9.7
149.09608	4.0
151.11174	5.6
153.09128	7.6
157.08919	4.9
157.10150	24.1
159.10184	6.9
159.11697	8.9
161.09641	15.8
163.11243	4.1
165.09131	23.1
171.11702	6.4
175.09665	27.9
175.11125	8.2
189.11246	21.0
195.11801	4.1
209.11711	6.5
235.16861	6.2
237.16417	7.7
255.17526	11.1
263.20035	9.0
273.18539	77.0
291.16260	5.5
291.19559	100.0
309.20572	21.7
354.13763	3.7
506.20755	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	507.1143
Annotation	4-O-Galloylchlorogenic acid
Peak:m/z	Relative Intensity
55.99836	0.3
58.18458	0.3
63.02389	0.8
63.49218	0.3
65.03941	0.5
77.03910	0.3
79.01838	0.4
79.05504	1.4
81.07052	0.5
85.43938	0.3
89.03928	9.7
91.05512	0.4
95.04964	1.4
97.02893	0.4
107.01337	0.4
107.04968	2.6
109.10168	0.5
111.04474	0.4
117.03399	9.9
121.02924	0.3
125.02371	0.5
135.04425	20.7
137.06042	0.4
137.09589	0.6
143.03412	1.2
145.02858	13.9
153.01834	16.6
153.02905	1.0
157.04999	0.7
163.03915	100.0
164.04303	1.4
165.09140	0.6
167.03403	6.7
181.05121	0.3
212.87657	0.3
215.65923	0.3
265.89972	0.3
309.06027	1.5
315.05341	0.3
323.07632	1.3
337.09204	1.1
489.10397	0.9
493.56424	0.4
506.33856	0.3
516.79108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.3
56.19676	4.7
57.07071	8.6
59.44461	5.2
67.05506	21.0
69.07077	81.6
69.69440	9.0
79.05505	12.6
81.07058	53.5
83.08624	23.2
85.06542	9.9
89.45338	4.3
91.05453	9.5
93.07054	26.0
95.08620	50.9
97.06541	10.3
97.10174	11.2
99.08097	17.3
105.07040	10.6
107.08614	25.6
109.10160	33.8
110.20995	4.7
111.11726	21.0
119.08555	7.9
121.10175	20.8
123.11722	15.8
131.08582	6.4
135.11679	10.4
137.13277	17.1
137.64169	4.8
139.11172	7.5
149.13269	17.4
163.14873	5.7
187.43439	5.1
249.90253	4.4
279.26874	6.2
291.26740	14.3
295.49194	4.8
297.27866	100.0
309.27939	68.9
318.00491	6.8
327.28970	11.7
346.20377	4.7
471.30853	5.5
503.55530	5.8
507.33194	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
57.03432	7.1
61.02918	7.3
65.35635	2.9
65.68376	3.3
69.03426	12.5
69.97962	5.8
69.98287	4.7
79.05487	4.4
81.03444	3.2
82.50383	3.5
85.02904	48.5
91.31590	3.0
97.02876	7.5
98.97550	4.9
103.03921	7.5
103.05508	3.3
109.02885	4.9
119.04945	7.8
120.08102	4.8
127.03916	5.0
131.04953	5.7
133.02829	11.5
135.04375	3.5
140.08698	3.2
145.05008	5.1
147.04393	11.6
150.03107	7.5
151.03903	7.2
153.01816	4.0
153.05382	6.0
159.04414	13.5
162.03070	4.0
163.03860	11.6
165.05498	6.0
166.02606	4.6
175.03909	9.2
176.04654	3.7
177.01840	27.0
177.05479	10.0
178.02657	3.6
179.03368	12.2
181.04959	50.6
187.03928	17.0
191.03415	27.8
192.04034	4.3
193.04964	22.4
194.02153	3.3
195.02855	26.0
197.04434	25.7
204.04173	8.1
205.04982	36.8
207.02843	5.6
207.06607	5.9
209.04466	69.5
211.02422	6.0
215.03371	9.3
217.05055	6.4
219.02843	10.6
219.06396	16.3
221.04457	33.8
223.02383	6.6
223.05934	6.3
225.04082	4.4
229.04936	4.7
230.02255	5.2
233.04408	36.9
235.06042	6.0
245.04449	9.2
247.05989	38.6
251.03091	4.1
251.05516	56.4
257.04254	3.3
263.05484	55.3
275.05515	53.6
281.06607	18.7
293.06567	56.7
311.07565	47.4
329.08664	100.0
456.27454	3.4
495.99814	3.2
508.08505	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	508.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10714	1.3
53.03944	1.1
55.91720	1.4
57.03445	8.5
59.04994	1.2
61.55403	1.2
61.73345	1.1
69.03434	2.4
71.05000	68.3
71.44649	1.3
73.02924	3.3
75.04485	5.0
81.03394	1.8
83.04982	10.3
85.02911	100.0
87.04507	3.5
89.62290	1.1
97.02901	4.8
99.04477	2.0
109.02895	1.5
111.04471	5.6
123.04444	16.4
127.03922	4.3
129.05490	43.8
133.96928	1.2
135.04462	2.0
137.06010	2.5
140.94139	1.1
145.04997	3.8
147.04463	8.0
147.06528	19.4
153.01826	4.2
163.03896	7.0
164.04263	4.5
164.09229	4.5
165.05508	9.6
167.03416	1.5
177.05551	2.5
183.06573	3.9
189.05490	2.2
207.06599	3.8
215.07156	2.4
225.07639	6.5
228.09216	1.2
231.06651	1.8
233.08203	1.4
249.07573	2.6
255.08664	1.5
257.08182	2.1
273.09921	1.6
275.09155	10.3
293.10269	3.3
346.15680	1.3
382.15311	1.2
408.13943	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.0
57.03447	6.0
57.07080	4.2
65.03956	1.9
67.05512	37.1
69.07081	15.5
71.08617	1.4
79.05492	9.1
81.07060	37.2
83.08627	7.0
86.09733	2.6
87.63635	1.4
90.48596	1.3
91.05492	6.7
93.07056	11.5
95.08620	28.9
97.10175	4.3
98.98480	35.2
104.10755	3.0
105.07024	3.7
107.08637	8.1
109.10164	10.8
119.08609	4.0
121.10153	5.0
123.11735	5.4
128.13414	1.4
133.10112	2.6
135.11684	3.1
147.11694	3.5
149.13304	2.5
155.01045	18.9
161.13217	1.7
163.14835	2.7
173.02127	4.6
180.14676	1.7
184.07297	3.6
245.22679	3.8
247.05905	2.8
263.23785	5.5
317.03531	1.6
337.27393	100.0
338.27826	4.0
473.26553	5.3
509.35974	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	509.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.1
55.05509	42.3
57.03447	18.5
67.05514	72.4
69.03429	10.5
69.07071	30.6
71.05006	18.4
79.05504	90.1
81.03427	20.8
81.07069	100.0
83.04985	10.0
83.08640	37.8
85.02935	9.1
85.06542	7.1
91.05487	44.9
93.07067	80.1
95.04978	74.7
95.08635	44.4
97.06540	14.3
97.10184	30.0
98.22762	31.1
98.23450	15.6
105.07034	28.7
107.04980	58.6
107.08580	49.3
109.06528	77.3
109.10163	23.6
111.08139	9.5
117.07037	20.7
119.08609	25.8
121.06524	44.0
121.10154	43.6
123.08064	13.1
123.11714	11.0
125.09667	29.4
129.07019	17.4
131.08574	26.8
133.06525	8.4
133.10120	18.6
135.08089	29.2
135.11697	12.0
143.08516	6.7
145.06525	16.7
145.10161	23.9
147.08093	11.4
147.11699	17.2
149.09647	13.5
153.09117	9.9
159.08022	9.5
159.11676	11.0
163.11200	14.0
165.09178	38.9
166.09419	14.0
167.10669	15.1
173.13351	9.0
175.11232	8.0
189.11191	11.0
191.14334	14.0
193.12253	11.0
195.11737	7.8
199.13354	22.1
205.12244	9.8
219.13795	46.2
223.13383	14.2
227.12689	16.2
233.15454	13.7
237.14873	12.7
271.16998	7.5
273.17169	33.9
293.17542	41.6
339.23132	6.9
343.88849	6.9
349.21609	23.5
367.22723	56.5
385.23676	69.1
403.24966	15.6
435.27295	9.4
441.26190	9.8
459.27606	69.7
477.28540	29.8
491.30240	46.3
493.41248	9.2
509.26242	9.8
509.31146	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.05508	24.1
57.03437	6.4
57.07079	13.1
63.07004	2.5
67.05508	33.9
69.03419	4.7
69.07071	62.2
70.33134	5.2
70.33474	3.8
71.04988	4.6
71.08624	7.9
79.05499	21.6
81.03419	13.8
81.07056	90.1
83.04987	5.8
83.08627	32.2
83.65937	2.5
83.87152	2.4
85.02917	13.7
85.06542	10.9
85.10149	3.4
91.05488	19.3
93.07043	32.1
95.04967	7.7
95.08607	100.0
97.06548	8.0
97.10178	18.8
99.04430	2.8
99.08098	6.7
105.07034	15.8
107.04969	4.5
107.08587	22.9
109.02850	3.3
109.06507	7.1
109.10150	61.9
111.04451	2.6
111.08062	3.3
111.11705	19.4
119.08572	10.5
119.83163	2.8
121.06498	2.9
121.10134	17.2
123.08074	3.5
123.11698	33.8
125.09639	3.7
125.13278	7.1
127.11150	4.1
133.10123	11.3
135.11690	12.6
137.13225	17.3
139.11139	3.5
139.14818	4.2
143.14281	3.1
145.10114	4.5
149.09621	3.9
149.13222	16.8
151.11201	9.8
151.14839	18.7
155.14401	3.1
159.11722	3.5
161.09610	4.7
163.14848	8.8
165.09103	3.1
165.16376	7.7
169.12248	3.5
175.11124	3.5
179.17918	4.3
185.48456	2.8
191.17906	5.5
193.12257	9.9
193.19528	3.0
211.13292	12.2
237.18579	6.8
245.73692	2.4
255.19675	3.3
263.05469	2.9
267.15842	2.8
267.26752	3.4
275.27432	12.2
281.28415	3.8
293.28302	28.1
299.14691	2.5
311.29413	10.6
329.30402	3.0
363.21390	2.9
399.23581	7.3
491.33167	4.7
509.15121	3.6
509.27219	22.3
509.34332	67.0
510.28391	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	509.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68433	4.1
51.35128	3.8
54.13337	3.8
55.05516	27.4
57.07071	14.7
59.04999	5.1
61.73963	3.8
67.05510	31.1
69.03442	4.9
69.07070	44.1
71.04987	4.4
71.44012	4.0
72.15378	4.6
78.89512	3.7
79.05491	9.9
81.03417	10.2
81.07057	100.0
83.08625	35.2
85.02902	10.4
85.06549	15.8
85.10187	4.8
91.05463	8.1
93.07059	22.9
95.04957	6.2
95.08601	75.9
95.28406	4.5
97.02882	4.8
97.10168	20.5
99.08089	5.4
102.09492	4.4
105.06999	5.5
107.08595	24.3
109.06490	4.7
109.10151	51.8
111.08046	6.2
111.11717	15.3
121.10169	10.5
123.11726	30.0
125.13267	10.4
127.11166	5.8
135.11664	8.9
137.13264	14.0
143.14302	8.4
147.11664	5.2
149.13281	14.0
151.11253	4.4
151.14810	31.1
152.38171	4.2
163.14807	7.6
165.09297	5.6
165.16396	8.4
169.15765	4.7
171.99864	4.5
177.16335	4.8
219.21169	5.4
235.26143	4.3
244.73323	5.4
275.27289	13.7
293.28232	22.6
311.29471	22.6
329.30695	5.3
509.28085	25.6
509.34195	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	510.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
55.05510	0.8
55.68507	0.6
57.03439	1.0
60.04519	1.9
61.02925	1.2
67.05505	0.8
69.03425	2.2
69.07057	0.8
69.46138	2.8
71.04980	1.9
73.02917	0.8
79.05477	1.1
81.03429	1.4
81.07053	1.8
85.02905	8.2
91.03948	0.6
91.05504	1.1
93.07047	1.7
95.04984	0.8
95.08601	1.3
97.02884	2.5
98.22717	1.2
105.07038	1.1
107.77369	0.6
108.69152	0.7
109.02883	0.8
109.10204	0.7
113.19979	0.7
119.08608	0.6
121.10142	0.7
127.03934	1.3
129.05478	1.1
131.57059	0.7
145.02901	0.7
145.04944	1.5
177.05460	0.6
225.01778	2.2
228.00647	1.2
253.01297	4.8
255.99960	1.2
271.02380	9.8
273.00156	1.2
283.99475	2.1
299.01862	25.5
300.02502	1.1
300.99771	7.2
315.98865	0.5
316.02133	16.0
330.23978	1.1
331.04471	100.0
332.04929	1.6
348.25250	1.4
456.29489	0.7
491.31784	4.2
492.32083	3.1
509.33112	3.3
510.30588	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	510.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32196	0.9
55.01873	2.2
57.03443	1.3
67.05496	1.7
68.99800	2.1
69.03429	3.1
69.57319	4.2
71.04991	2.4
75.56811	1.0
81.03410	2.1
81.07058	4.5
85.02910	12.1
91.05474	5.1
93.07055	4.2
95.04961	1.5
95.08614	1.8
97.02893	5.0
100.01994	1.0
103.05476	3.8
105.07018	2.7
107.04959	3.0
107.08553	1.4
111.04446	2.4
112.46549	1.1
115.05467	1.7
119.04948	3.2
121.06503	25.2
123.04435	18.8
127.03907	2.7
128.06204	6.9
129.07013	15.3
129.49884	1.2
131.04976	1.4
133.06506	2.9
135.04449	1.9
137.02339	6.8
137.05923	1.4
141.07011	2.1
143.04916	3.6
144.05701	1.2
145.04974	1.1
145.06461	1.1
147.04416	15.4
149.05974	33.9
149.13248	1.2
150.06775	12.1
157.06482	35.4
159.04388	2.0
161.05968	2.6
165.05484	8.1
175.07579	1.8
177.05463	2.4
179.08553	1.9
181.12233	3.3
184.05258	1.5
185.05975	86.1
186.06599	1.4
198.15019	1.0
201.05347	1.2
203.07047	4.3
206.07323	1.9
207.08144	5.3
211.07494	1.3
221.09563	5.2
231.08080	1.8
234.06714	19.9
235.07494	9.4
237.05737	1.3
249.09073	24.7
250.72119	1.2
253.08548	1.5
259.07568	1.5
267.10162	1.4
277.08582	22.2
278.09213	1.1
295.09634	100.0
296.09851	2.8
313.10684	82.8
314.11044	2.2
319.09445	1.2
509.50421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
56.12573	0.3
57.03431	1.6
58.65471	0.4
66.84740	0.4
69.03423	0.5
71.04980	0.6
73.02920	2.9
79.05499	0.6
80.11716	0.4
81.07066	0.5
85.02914	1.0
91.05479	3.4
93.07036	0.7
94.04182	0.6
95.04951	0.7
95.08609	0.4
97.02862	0.4
103.05469	5.9
104.78687	0.4
105.07043	0.6
107.04953	0.8
109.06513	0.6
115.05499	0.6
117.07008	2.1
119.04945	2.1
121.06520	0.9
122.03642	1.0
123.08038	1.1
128.06255	0.7
129.07013	1.1
131.04926	14.4
135.08052	0.7
137.05980	23.2
143.08513	1.1
145.06473	0.9
147.08064	0.4
149.05971	1.7
149.09561	0.7
149.13182	0.6
151.03889	0.6
151.07542	15.2
157.06429	1.2
161.05986	2.0
162.06769	1.8
163.07544	40.6
164.07912	0.6
165.09221	0.8
167.08557	1.1
169.06560	0.4
171.08017	0.8
174.06781	0.5
175.07524	3.1
177.09106	100.0
178.09464	1.7
181.03482	0.3
181.04935	2.5
182.05333	1.5
189.09138	3.4
193.06483	0.4
193.10028	0.4
195.08311	2.2
195.09940	2.3
203.10587	0.4
207.10115	0.6
221.05972	0.8
221.09720	1.0
221.11710	17.9
223.07497	1.1
225.09152	1.0
227.10695	4.0
237.09195	0.6
250.06160	0.6
253.08591	1.6
253.12271	2.0
254.73544	0.4
255.10249	2.8
267.10141	0.6
285.11337	2.1
287.12793	5.2
293.11893	0.5
299.12701	1.0
311.12720	1.7
313.14325	5.1
329.70370	0.4
331.15396	18.7
332.15665	0.8
343.15421	2.0
385.17682	0.4
511.24924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01873	1.6
55.05514	2.4
57.03439	10.5
58.27103	1.3
60.04527	6.2
61.02948	2.0
67.05506	3.9
69.03442	4.0
69.37499	5.2
71.05000	71.2
73.02934	4.1
75.04494	9.7
79.05497	4.9
81.03417	2.3
81.07056	6.3
83.04990	12.2
85.02912	100.0
87.04479	2.9
91.05479	4.6
93.07054	20.4
94.06609	1.8
95.04974	5.4
95.08626	4.4
95.22721	1.3
97.02909	3.2
97.06525	1.9
99.04460	2.9
103.03963	1.6
105.07041	4.6
107.08595	3.6
107.23344	1.4
109.06546	2.5
109.10180	2.7
111.04451	11.4
111.08103	3.0
111.94879	1.4
119.08581	2.6
121.06550	1.3
121.10152	19.7
123.08076	2.3
124.50245	1.2
127.03935	3.6
129.05492	46.3
131.08629	2.4
133.10101	2.8
135.04430	1.3
135.08116	1.7
136.07590	1.2
137.05914	2.0
139.11203	4.4
140.10722	2.6
145.05009	2.9
145.10176	1.8
147.04451	2.6
147.06520	20.8
147.07712	2.0
147.08093	1.4
147.11676	1.3
149.09619	5.8
164.09198	1.7
165.09108	1.6
167.10687	17.2
167.12012	1.8
169.12526	1.3
182.08083	1.3
191.10683	2.4
209.11742	13.4
213.61656	1.3
249.15019	1.7
259.13235	3.8
265.51035	1.3
273.09729	1.7
277.14337	3.8
295.15482	6.1
309.11844	1.7
330.26529	1.9
348.27515	2.9
438.28748	2.4
456.29633	5.4
474.30435	3.8
492.31433	2.6
510.20328	1.8
510.32413	2.7
536.53821	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	510.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.5
55.05516	28.4
57.03444	6.3
59.04986	4.6
61.78647	3.0
67.05510	54.4
69.03444	12.6
69.07066	19.9
69.94147	10.9
71.04990	6.0
71.08640	8.5
79.05488	30.6
81.03429	5.3
81.07066	60.0
82.07375	3.5
83.04990	6.7
83.08624	24.0
85.02924	18.5
91.05479	18.0
93.07048	37.1
95.04993	9.8
95.08613	26.4
97.02903	8.8
97.06504	6.9
97.10152	23.5
99.04456	3.4
99.08097	12.4
105.07043	14.5
107.08611	31.6
109.02859	4.6
109.06539	8.5
109.10152	22.2
111.08096	8.9
113.09675	3.9
117.07006	3.4
119.08579	8.1
121.10168	12.8
123.08076	4.6
123.11698	21.9
125.09629	13.9
127.03915	6.1
131.08542	5.9
133.10114	15.6
135.08102	4.2
135.11739	14.0
137.06094	3.0
139.11200	3.5
139.70224	2.9
145.04996	9.3
147.11684	6.2
149.13252	28.0
151.11191	34.1
157.10068	3.9
159.11711	11.6
161.13260	6.8
163.11154	4.1
165.12758	4.3
177.12793	12.0
179.14412	9.2
189.11212	20.1
195.13818	77.2
213.14865	100.0
230.37030	3.1
259.20605	5.6
274.58209	3.4
277.21637	59.2
279.23285	13.6
295.22711	45.7
303.16092	3.4
313.16513	13.7
313.23672	3.7
331.24606	4.9
339.18198	5.0
357.19342	5.9
510.27609	5.0
510.34650	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	510.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81715	2.7
51.95116	3.0
55.05512	9.8
57.03440	5.1
67.05504	41.1
69.07048	8.4
71.43835	3.2
75.00887	2.9
77.03957	3.0
79.05495	41.8
79.87915	2.7
81.03400	6.0
81.07063	44.5
83.04999	4.1
83.08615	5.7
91.05474	31.5
93.07040	56.2
95.04967	12.8
95.08610	22.5
97.06525	7.6
99.32202	3.9
105.07053	23.0
107.04978	5.0
107.08594	18.7
109.10133	6.1
111.38413	3.4
117.06994	4.1
119.08589	12.7
121.10160	7.2
127.45998	3.2
129.07014	8.5
131.08553	4.1
133.10107	4.7
143.08534	5.3
147.11658	15.2
149.13248	15.9
155.70757	3.3
159.11676	3.6
161.13268	5.4
161.20430	3.6
171.11740	11.1
189.12827	4.4
195.13869	5.3
207.13803	18.3
265.79840	3.0
269.17459	38.4
281.17480	35.7
475.30563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
53.04642	1.5
55.01881	38.2
55.05258	3.0
55.05517	45.8
57.03443	21.9
57.07084	12.0
59.05004	2.2
61.02944	2.2
62.01647	1.5
65.03947	4.4
67.05157	3.5
67.05511	61.9
67.05869	3.6
69.03436	14.0
69.07084	19.0
69.25932	8.8
71.05016	8.9
73.02919	6.6
79.05502	70.6
79.56474	1.7
80.06283	2.2
81.03425	87.5
81.07065	60.9
82.04208	9.2
82.25707	1.6
83.04985	36.5
83.08631	34.7
84.02154	2.5
85.02912	31.4
85.06565	5.6
91.05494	61.5
93.07056	47.1
95.04977	51.5
95.08624	18.6
96.05768	2.4
97.02911	6.2
97.06544	20.0
97.10178	10.0
98.07325	11.9
98.22787	3.8
98.23436	3.1
99.04495	1.9
99.08109	4.3
100.05290	1.6
103.05463	1.7
105.03390	2.7
105.04531	3.6
105.07045	43.2
105.07735	2.6
107.04959	11.0
107.08596	23.3
109.06519	10.2
109.10160	13.8
111.04450	5.6
111.08093	22.9
113.06020	4.2
115.03944	1.9
115.05482	3.6
116.97001	1.7
117.05519	1.6
117.07025	4.8
119.08597	35.0
121.06509	4.9
121.10165	17.9
123.08086	14.7
123.11725	4.9
125.06026	3.0
125.09632	14.7
127.11227	6.9
129.05527	4.2
129.07013	16.5
131.08588	20.2
133.06494	3.9
133.10162	21.3
135.08081	3.8
135.11728	5.9
136.08899	2.0
137.09673	9.1
137.13240	2.2
139.07530	3.0
142.07784	4.1
145.10164	7.8
147.08073	4.1
147.11691	27.2
149.09630	10.7
151.07542	1.7
151.11205	3.5
155.08592	2.1
157.08780	3.1
157.10132	20.7
158.05771	12.3
159.06482	1.8
163.11214	7.2
164.12048	4.9
165.12833	5.9
171.06544	18.2
175.11208	22.3
181.12245	2.3
185.08096	7.4
192.11501	2.6
193.12262	78.4
197.08061	1.7
199.09727	7.1
199.13345	10.1
201.14883	5.7
209.11792	4.6
210.12547	2.2
211.13309	94.3
227.12778	12.3
228.13397	2.0
241.14555	3.7
242.15196	3.8
255.15927	12.2
260.57245	1.8
267.15912	13.3
269.17584	4.8
283.15555	5.9
283.19034	5.1
284.16202	2.5
285.17017	10.2
298.17920	4.5
311.18628	5.6
311.22284	4.9
326.24478	2.2
339.18036	14.8
339.21707	5.3
353.19534	3.0
367.21088	5.9
382.27063	9.0
395.24512	2.3
409.25815	5.2
437.25601	3.7
439.26889	3.0
457.32922	2.8
465.28409	3.5
475.33917	1.8
476.27625	4.0
493.27917	7.1
494.28696	10.7
511.29044	100.0
512.29504	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	512.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
54.17609	0.5
55.01880	1.5
55.05511	1.0
56.96562	0.6
57.03432	1.4
67.05499	0.8
69.03439	4.0
69.07069	1.0
70.45956	1.2
70.91284	0.6
71.05000	1.2
73.02924	1.2
79.05499	2.7
81.03432	5.3
81.07082	0.8
84.96066	0.7
85.02920	8.8
91.05482	3.2
93.07034	2.3
95.04956	0.7
95.08601	1.0
97.02913	3.3
98.22911	0.9
98.47594	0.6
98.97642	0.8
99.04465	2.2
103.03948	0.5
103.05490	0.7
105.07043	9.9
107.04979	1.4
107.08599	11.7
109.02898	3.5
109.06512	0.7
109.10191	0.7
111.04408	0.7
115.05579	0.6
115.18189	0.6
117.07051	2.9
118.04171	2.3
119.08577	0.8
121.06541	1.1
121.10117	0.8
123.08042	0.9
127.03928	18.8
129.05531	0.7
131.08571	2.3
133.06531	3.1
135.08076	10.8
135.11790	0.6
136.06035	0.6
144.05667	0.8
145.04982	2.2
149.09631	2.6
151.07535	6.7
153.12766	2.8
157.05023	0.8
159.08049	2.6
161.07190	3.9
163.03966	0.7
163.07524	1.4
167.03412	12.2
167.04750	0.6
171.06577	5.0
173.30876	0.6
177.09125	100.0
178.09456	1.4
181.12254	0.7
183.13791	0.7
185.04362	0.8
205.08627	3.7
215.02248	0.6
223.09694	13.2
223.13191	3.6
231.10149	1.0
241.10724	2.5
247.10287	0.7
250.66434	0.5
263.05872	1.0
265.10806	1.0
271.46402	0.7
277.10541	0.7
285.11252	1.0
295.11755	2.0
300.21066	0.6
311.10339	1.0
331.04617	0.6
331.11832	2.0
332.04684	0.7
333.05026	1.5
349.12894	4.3
453.36261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	6.4
55.05508	10.7
57.03443	7.9
57.88638	5.7
67.05518	21.3
69.03437	14.1
69.07070	13.1
69.25853	27.4
71.04996	7.2
79.05513	16.7
81.03447	30.7
81.07078	26.2
83.04977	9.8
83.08626	8.4
85.02914	19.0
85.06530	6.2
91.05488	12.6
93.03423	6.2
93.07064	28.1
95.04992	7.7
95.08614	23.6
97.02927	13.6
97.06540	12.9
98.22939	22.9
105.07019	15.9
107.04962	6.5
107.08615	19.0
107.91444	5.8
109.02885	17.7
109.06525	9.0
109.10149	13.1
119.08604	13.9
121.06514	7.6
121.10154	15.6
123.04448	6.9
123.08031	7.0
125.02364	45.8
127.03938	50.3
131.08623	6.3
133.10144	8.4
135.04428	25.2
135.08063	5.3
135.11749	10.2
137.06024	32.2
139.03905	25.7
145.10129	10.1
149.06010	21.9
149.13254	6.2
151.07542	8.2
153.05495	100.0
154.33778	5.5
157.10005	6.7
159.11723	12.1
167.07031	7.5
169.10013	5.3
175.11217	5.8
177.12740	38.0
179.14270	7.4
181.20360	5.7
187.11250	7.8
195.06633	6.3
205.12256	96.9
210.75150	5.8
213.12656	4.7
223.13315	97.2
228.37013	5.1
231.42197	5.7
241.14178	12.5
251.18025	9.7
265.14362	37.1
267.16006	9.2
269.19073	42.6
283.15408	18.2
287.16837	8.6
287.20105	56.6
295.44244	5.9
303.36765	6.2
331.15552	12.2
347.12305	18.3
349.16492	19.8
367.17545	58.0
370.27267	5.7
385.18484	16.2
457.68192	6.9
494.28134	7.7
512.29797	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	512.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27851	3.7
53.03955	6.4
55.05508	14.9
66.58945	3.3
67.05504	40.5
69.03441	4.4
69.07051	20.3
71.04987	8.4
79.05486	16.9
81.03404	5.6
81.07058	57.2
83.04997	7.1
83.08613	10.2
85.02899	17.5
85.06532	8.7
89.36689	4.3
91.05458	8.9
93.07041	18.4
95.08607	50.7
97.06543	5.8
97.10159	6.1
100.19575	4.0
105.07026	11.0
107.08607	16.1
109.06487	3.9
109.10154	40.7
111.11748	4.0
119.08609	8.7
121.10162	20.5
123.11691	15.5
131.08560	6.6
133.10164	8.5
133.92995	3.8
135.11707	16.0
135.46797	4.3
145.10091	6.0
147.11711	12.8
149.13229	6.2
161.13257	6.9
169.10120	41.4
179.14352	6.1
183.17358	4.4
193.12222	7.7
261.22186	16.5
279.23187	93.5
297.24277	100.0
310.58307	3.8
315.25275	10.1
333.26376	17.6
366.35126	3.9
512.25232	74.5
513.26599	64.8
533.17133	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	513.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31825	0.8
69.03452	1.2
69.07088	1.0
69.44926	2.2
69.45312	1.4
72.38098	0.8
75.45501	0.8
79.01849	5.8
79.05499	3.0
85.02908	7.0
91.05546	1.0
95.05013	1.1
97.02909	1.5
97.06519	1.3
103.03957	1.3
107.04964	1.3
109.02917	0.9
125.02347	3.2
125.05984	2.5
131.05116	0.9
138.03107	4.7
143.03391	6.9
145.02785	1.0
153.01826	100.0
153.02879	5.5
153.05470	2.5
159.04430	2.8
162.03133	1.5
166.02666	4.5
167.03398	2.2
171.02888	1.4
171.06479	1.0
172.17416	0.8
177.01826	1.3
177.05553	1.2
180.00513	1.1
181.04951	67.4
182.05408	1.1
187.03923	2.0
191.03386	3.7
193.05002	1.4
194.02084	1.8
195.02866	7.0
204.04187	2.5
205.04924	4.7
209.02446	2.2
209.04446	44.5
211.06036	1.6
213.03986	2.0
215.03416	1.9
219.06500	4.5
221.04472	1.4
223.06082	1.2
229.05040	2.3
233.04460	12.6
241.07079	3.2
247.06029	6.1
251.05518	2.3
255.04930	5.0
257.04303	4.1
260.03238	1.3
263.05624	1.4
265.07034	4.5
275.05438	11.4
289.07104	3.5
293.06525	3.2
307.08139	5.4
445.08182	1.3
463.08731	1.1
481.09705	2.9
513.15106	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2677
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
69.03472	0.7
69.41241	2.7
69.71928	0.6
81.07065	1.5
85.02949	0.8
95.08605	1.1
97.10238	0.7
117.41802	0.7
119.08619	0.7
152.07124	0.7
333.20590	2.1
351.21445	2.1
354.94339	0.7
402.64807	0.7
495.25153	1.5
513.26849	100.0
514.27429	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	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.05496	3.9
57.03437	1.4
65.03921	1.3
67.05495	8.7
69.03424	7.3
69.07048	3.0
69.28940	7.3
71.04978	3.6
76.99825	1.3
77.03873	1.4
79.05489	7.3
79.55396	1.5
81.03419	11.2
81.07040	4.5
83.04976	4.0
83.16653	1.4
85.02885	5.2
91.05486	6.9
93.07033	4.1
95.04958	5.6
95.08599	4.2
97.02903	3.2
97.06542	4.0
99.04444	11.0
105.07011	9.2
107.04940	14.1
107.08588	4.1
109.02890	5.2
109.06511	8.3
109.10162	32.4
111.04436	4.4
117.07005	2.0
117.56972	1.3
118.35145	1.4
118.48206	1.3
119.08585	10.7
127.03891	2.2
128.06224	4.4
129.07048	2.3
133.06544	2.1
133.10130	13.9
137.09615	56.5
140.26982	1.6
143.08519	10.6
145.10098	2.8
146.07274	2.6
147.08012	15.0
154.35353	1.4
161.09610	100.0
162.09946	1.6
163.11177	5.7
164.10570	1.6
165.09109	78.7
171.08020	2.2
177.05515	3.7
178.39766	1.4
179.10635	10.6
189.09087	20.9
192.10103	2.5
207.10156	97.6
225.11235	25.4
263.10089	1.6
282.62579	1.6
295.11002	1.6
313.11798	1.8
315.90381	1.6
323.12277	1.5
335.09320	2.2
336.09760	2.1
352.51926	1.5
369.15335	9.2
387.16415	12.2
452.27533	1.4
471.33728	1.6
496.19653	1.4
514.22302	21.7
515.18823	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	514.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01890	1.5
55.05517	3.7
57.03443	2.2
57.34181	0.8
61.02906	1.8
67.05506	5.6
69.03433	2.6
69.07086	1.1
69.24075	3.0
69.24482	1.6
71.04991	1.6
75.04501	1.1
79.05503	5.8
81.03423	66.7
81.07071	6.2
83.05005	3.0
83.08629	18.0
85.02920	2.4
91.05486	7.3
93.07050	3.1
95.04976	21.5
95.08627	2.5
96.26266	1.0
97.02901	3.6
97.06541	1.1
97.10201	0.7
98.23080	3.8
105.07034	6.9
107.04942	3.8
107.08577	2.3
109.06552	1.8
109.10220	0.9
111.04428	1.8
111.08089	8.6
119.05003	0.8
119.08585	7.4
120.08172	0.9
121.06563	1.2
121.10175	2.7
129.07013	4.6
131.08591	5.6
133.06488	2.4
133.10165	3.0
137.09650	1.0
142.07825	1.6
147.08014	2.0
147.11716	6.5
149.09613	4.4
157.10175	8.7
161.09633	1.1
165.12791	1.1
175.11211	11.8
179.10611	1.0
193.12259	66.4
194.65538	0.8
197.11714	1.2
211.13252	5.4
211.21849	0.7
225.11263	1.1
235.13364	2.0
243.12143	1.1
259.13333	1.3
267.15936	39.0
273.14883	1.2
285.16986	100.0
286.17407	1.8
291.79947	1.0
309.16959	6.8
327.18036	1.6
351.18143	1.8
363.18118	1.5
373.14203	1.7
375.17697	1.4
385.40869	1.0
393.19235	2.2
411.20157	1.8
514.27496	0.9
515.15155	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	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
55.01872	2.7
55.05519	4.5
56.69534	1.5
57.03449	4.8
61.02936	1.6
61.68109	1.5
67.05508	11.3
69.03428	2.5
70.89155	1.6
71.44875	1.8
79.05480	10.3
81.03419	95.2
81.07061	12.5
83.04986	4.4
83.08618	24.7
85.02923	4.7
91.05490	15.4
93.07055	7.3
95.04972	28.0
95.08612	6.2
97.02912	6.0
97.10162	2.9
105.07016	12.2
107.04943	8.2
107.08591	4.9
109.02888	3.0
109.06548	2.8
109.10146	9.3
111.04451	2.8
111.08067	12.5
119.08581	14.1
121.06525	4.7
121.10166	4.8
123.04465	2.2
123.08122	1.9
129.07034	9.3
131.08609	5.8
133.06499	4.1
133.10130	11.4
135.79036	1.9
137.09596	3.6
141.96797	2.0
142.07831	2.4
147.04404	2.2
147.08046	3.4
147.11716	9.8
149.09630	5.9
155.10747	3.9
155.14326	3.0
157.10112	14.5
161.09641	5.5
163.11244	5.1
165.09119	2.1
165.12906	1.6
167.03403	2.6
175.11177	17.4
179.10704	7.1
189.09111	5.0
190.92738	1.5
193.12242	84.2
207.10222	6.7
211.13274	7.4
225.11272	5.0
235.13437	2.0
243.12344	3.0
267.15927	62.6
285.16968	100.0
309.16949	14.4
350.07541	1.7
351.18149	2.3
363.18021	4.1
369.15457	2.4
373.13879	4.8
391.68442	1.7
393.19080	2.6
422.22223	1.9
429.21307	3.7
514.27509	10.0
515.20868	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25351	2.9
53.03934	3.4
55.01851	3.4
55.05517	24.7
57.03445	20.8
59.39236	3.2
67.05161	4.5
67.05505	71.4
69.03422	7.4
69.07079	19.5
70.76694	3.0
71.04989	10.2
79.05492	50.5
81.03416	71.3
81.07061	88.9
83.04985	23.5
83.08627	34.9
83.84541	3.1
85.02893	22.3
85.06522	4.8
91.05482	48.2
93.07047	60.1
95.04979	32.9
95.08611	30.3
97.06541	14.9
97.10141	3.7
99.08072	5.7
105.04478	3.7
105.07029	30.5
107.04948	9.3
107.08598	32.5
109.06503	9.6
109.10126	5.4
111.08080	17.5
117.07021	8.7
119.08556	14.4
121.10169	25.1
123.08022	4.4
123.11683	3.5
125.09595	4.6
127.07587	4.3
127.75497	3.4
129.03557	2.9
129.07002	10.4
131.08569	17.6
133.06548	6.0
133.10100	19.5
135.11697	4.6
137.09518	3.5
142.07748	4.3
147.11732	19.2
149.09604	9.6
149.13266	31.0
157.10168	15.2
159.11694	12.6
165.12743	4.3
173.58766	3.2
175.11221	15.4
177.12761	6.5
193.12276	54.4
195.13858	12.6
207.67177	2.9
211.11794	2.6
211.13292	83.8
267.15857	36.4
269.17477	92.9
273.21429	3.1
285.16992	74.4
461.28961	45.8
479.30035	100.0
480.30347	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	514.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01864	3.3
55.05511	21.2
57.03443	16.2
57.07059	1.9
65.03952	2.5
67.05504	58.1
68.05843	2.0
69.03418	3.8
69.06746	2.5
69.07066	20.7
69.74033	5.7
71.04993	4.6
75.02208	1.6
79.05038	2.9
79.05491	44.0
81.03419	58.3
81.07059	78.5
83.04972	14.4
83.08622	27.6
85.02908	22.2
85.06535	4.0
91.05483	42.3
93.07042	59.9
95.04968	21.2
95.08607	22.3
97.02856	1.7
97.06522	9.7
97.10203	3.8
105.07032	23.6
107.04951	6.5
107.08603	25.8
109.06522	4.5
109.10133	4.3
111.08079	8.2
113.06011	3.3
115.05450	1.9
117.07004	7.0
119.08584	18.4
121.06493	3.1
121.10146	14.8
123.11703	5.4
129.06996	9.4
131.08592	15.7
133.06480	3.9
133.10132	23.3
135.11720	9.8
147.08040	2.3
147.11696	13.1
149.09584	5.8
149.13277	14.4
151.11108	1.9
157.10130	11.4
159.11717	10.5
165.12721	2.9
175.11194	13.1
177.12741	3.6
193.12244	41.8
195.13791	15.8
204.25850	1.6
211.13292	55.6
213.14867	2.0
267.15918	21.1
269.17468	100.0
285.16980	62.4
369.24228	1.9
391.20688	1.9
461.28986	29.0
479.30054	96.5
480.29953	2.5
514.28058	1.5
514.31018	1.6
515.25391	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	515.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	14.7
58.03090	1.1
59.68888	0.8
67.81831	0.9
70.47511	1.1
70.47852	1.6
76.40221	0.8
84.96029	6.5
85.32131	0.8
91.05499	1.5
97.96782	7.1
98.97579	58.0
101.51029	0.8
110.97565	19.1
112.99183	2.9
115.40299	0.9
115.97838	1.9
116.98617	19.2
116.99395	1.4
117.09765	0.9
124.99160	3.0
126.97079	1.7
128.98605	18.2
128.99490	1.2
131.00230	2.1
134.99678	2.5
136.99161	1.0
140.98596	6.9
143.00172	9.5
144.98120	3.8
146.99692	3.6
149.05988	1.2
152.98592	5.2
153.01880	1.5
155.00182	2.5
157.25104	0.8
158.99654	13.6
161.00066	1.0
161.01202	6.0
162.99193	2.2
165.02258	2.6
169.01804	1.0
170.99643	7.6
173.01215	2.0
176.00105	1.0
177.00717	9.8
179.03838	1.2
182.99628	1.4
183.03351	1.6
185.01300	1.0
189.00703	3.5
189.02301	4.3
201.00702	6.0
207.03276	23.8
207.06305	1.2
209.01131	1.3
219.01740	34.6
225.04332	6.1
237.02794	44.0
249.04375	4.2
255.03856	1.6
260.04532	1.1
261.04529	1.8
267.05377	1.4
300.13132	1.7
309.02795	1.2
309.06409	36.2
327.07498	100.0
328.07904	2.5
350.09109	4.4
369.08694	1.7
381.08542	5.7
383.09869	1.1
393.57135	1.0
395.10068	10.7
395.14688	1.3
397.11887	1.8
419.09995	1.6
437.11258	3.2
455.12222	40.6
473.13300	7.0
515.14349	10.3
515.20972	1.2
515.38031	1.0
532.63123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1893
Annotation	Kadsuphilol H
Peak:m/z	Relative Intensity
60.61228	0.3
61.04050	0.5
69.32589	0.8
69.32994	0.6
71.04997	0.4
72.80688	0.2
81.07058	0.3
91.05500	0.3
93.07059	0.5
105.07007	0.4
107.08586	0.5
108.05970	0.3
119.04953	0.4
122.62290	0.3
133.10004	0.3
147.04359	0.5
158.66417	0.3
161.05838	0.3
163.11221	0.6
169.08646	0.3
175.03937	1.0
185.89938	0.3
188.50096	0.3
191.10703	0.5
207.06538	3.3
216.28908	0.3
227.12857	1.1
345.04517	1.5
365.13647	0.5
383.14288	0.4
515.18884	100.0
516.19189	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	515.2834
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
69.19366	1.9
69.19774	1.3
74.76227	0.5
81.07051	0.6
93.07082	0.9
95.08630	0.7
97.06547	0.7
98.23454	0.9
115.46504	0.5
119.04964	0.7
127.03865	0.6
133.10112	0.8
135.11734	0.6
187.03694	0.6
207.06609	1.4
240.89368	0.6
265.16653	0.7
335.21979	1.1
353.22989	3.7
358.74365	0.8
515.28333	100.0
516.28387	2.8
538.20496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.69244	0.3
55.05505	0.8
57.03414	0.3
65.03930	1.6
69.03425	2.4
69.31201	1.7
71.04988	0.4
81.03419	8.2
83.04963	0.8
85.02911	2.1
97.02886	4.1
98.22704	0.8
99.04461	1.0
107.01307	0.7
108.04464	1.2
109.02885	3.8
109.77690	0.3
111.04419	1.1
123.04441	0.7
125.02321	0.9
126.03126	4.2
127.03899	2.3
139.03899	1.2
141.05458	3.7
145.04990	0.6
152.01039	1.9
153.01816	4.2
157.04970	6.7
163.03947	0.7
167.03395	100.0
168.03668	1.2
171.02885	0.5
185.04451	11.1
191.79579	0.4
251.05508	0.6
262.48969	0.4
266.66190	0.4
311.07623	8.1
329.04810	0.6
329.08621	7.2
346.13080	0.4
362.95724	0.3
516.20428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.8
85.02917	0.9
91.05482	18.6
119.04942	28.0
132.02057	1.9
147.03288	1.6
147.04416	22.1
153.01779	2.5
157.03990	3.4
159.66679	0.8
175.03908	41.3
179.07013	2.1
191.14268	1.3
207.06520	100.0
208.06868	1.2
247.43237	0.8
351.10709	1.3
369.11819	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	516.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01369	0.4
53.03951	1.0
55.01880	0.9
55.05520	2.8
55.05745	0.5
56.62072	0.4
57.03435	10.2
59.05003	0.7
61.02917	1.3
69.03424	2.8
69.23847	2.2
69.24258	1.0
71.01354	1.0
71.04991	73.6
73.02931	2.3
75.04478	6.0
79.05483	0.7
81.03439	0.9
83.04980	10.2
85.02905	100.0
86.03229	0.6
87.04456	2.7
91.05495	0.8
97.02901	3.7
99.04453	1.8
101.06018	0.6
103.03944	1.0
109.02881	1.2
110.06069	0.5
111.04446	6.1
127.03913	4.4
129.05478	42.6
131.08569	21.7
131.09584	0.7
131.27013	0.5
136.35364	0.5
142.33812	0.5
145.04959	3.6
145.10095	1.4
146.08102	1.2
147.06522	25.2
156.55905	0.5
161.79922	0.5
163.06007	1.7
164.09178	8.3
171.06621	0.6
171.11728	0.8
173.13257	53.2
174.13597	0.9
225.07616	0.6
237.07399	1.0
255.08670	2.5
273.09656	2.4
301.17990	0.7
309.11884	2.8
322.83282	0.5
353.19443	0.6
370.32825	0.5
381.80731	0.5
516.19141	0.7
516.27289	0.8
516.35492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96407	0.3
53.19994	0.3
56.96607	0.5
62.51869	0.3
62.96550	0.3
65.89525	0.3
66.24907	0.3
66.61766	0.5
69.03429	1.1
70.49374	0.4
71.44973	0.4
79.05505	0.6
82.62850	0.4
85.02916	0.9
89.03929	4.0
96.02322	0.4
107.04951	1.3
117.03400	5.3
127.03924	0.9
133.99620	0.4
135.04434	12.4
143.87903	0.4
145.02858	9.8
163.03923	100.0
164.04289	1.6
167.88080	0.4
181.05081	0.5
182.08154	0.4
253.74763	0.4
259.01212	0.7
264.83417	0.4
307.08252	1.4
325.09259	1.1
457.06671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
61.02921	1.3
64.06319	0.4
68.35579	0.5
69.03423	1.9
69.24760	2.9
81.03423	0.7
83.05003	0.5
85.02910	7.0
88.05936	0.5
89.03910	5.0
97.02892	2.1
98.22706	1.1
99.04504	0.5
107.04964	1.4
113.88232	0.5
117.03387	5.2
127.03935	1.3
135.04425	14.0
145.02849	9.6
145.04959	1.3
163.03912	100.0
164.04289	1.5
181.05101	0.6
325.09079	0.6
361.71423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94334	0.8
55.05515	2.3
57.03437	1.7
62.50130	0.8
65.03954	1.0
67.05534	0.9
69.03443	1.9
69.07085	2.0
70.97417	1.2
71.05000	1.5
79.05511	1.5
81.03418	3.1
81.07058	1.8
83.08620	4.1
84.08962	1.0
85.02908	3.8
91.05477	17.4
93.07077	1.6
95.04958	1.3
95.08634	1.4
97.02909	1.8
97.10206	1.3
106.29962	0.9
106.38464	1.0
109.02887	1.6
109.05803	0.9
109.06526	1.6
115.61079	0.9
116.30003	0.9
119.04945	29.2
127.03903	1.6
132.02179	0.9
145.02829	1.0
147.04411	25.2
157.03999	3.1
157.15889	5.1
158.16231	1.4
164.04677	1.5
175.03912	54.6
179.07007	2.1
192.04234	1.3
205.12292	1.8
207.06525	100.0
208.06819	1.2
225.07658	1.6
272.79968	0.9
331.09973	1.2
337.16550	1.3
351.10748	3.2
354.16122	1.1
369.11786	9.3
510.09341	0.9
517.10388	10.3
517.16614	3.6
517.22778	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	517.2645
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
55.01867	1.7
55.05508	0.9
55.84251	0.4
57.03429	1.3
57.82116	0.4
64.32987	0.4
67.05496	0.6
68.66367	0.5
69.03420	1.6
69.07069	10.1
69.54572	0.4
69.81707	0.4
71.04993	4.9
79.05486	0.8
81.03410	0.5
81.07052	1.8
83.04970	1.6
83.08597	0.6
85.02903	8.1
91.05478	2.5
93.07043	7.2
95.04945	0.9
95.08608	2.2
97.02895	1.4
97.06525	1.6
103.34155	0.5
105.07022	1.4
107.08591	6.9
109.06502	1.5
109.10162	1.1
111.08058	0.7
117.07023	1.0
118.83703	0.5
119.08603	2.3
121.06506	10.7
121.10129	6.2
123.08059	1.9
123.11696	0.5
127.03931	0.6
129.05470	1.0
131.08563	2.6
133.10139	5.8
135.08067	6.0
135.11707	2.6
137.09581	0.8
143.08501	0.5
145.10127	1.9
147.06441	0.6
147.11688	22.2
149.09651	2.9
149.13252	5.5
150.66306	0.4
151.11137	0.5
153.01794	0.5
158.10852	0.5
161.09599	2.9
163.14819	1.6
173.13271	7.9
176.12019	0.9
189.12775	0.8
191.14302	100.0
192.14604	1.2
207.06502	0.7
209.15382	6.0
219.11182	0.4
241.87509	0.4
275.15991	0.4
275.19016	0.4
337.10788	0.5
343.01309	1.2
361.02319	6.6
362.68402	0.5
379.03342	1.2
436.19385	0.5
442.62689	0.4
466.89291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03938	3.9
55.01879	2.7
55.05259	1.4
55.05511	24.0
57.03439	7.6
57.07086	0.9
59.29985	0.9
65.03933	3.2
67.05508	43.4
69.03429	3.7
69.07069	8.9
70.22372	0.9
71.04996	4.5
71.43440	1.5
77.03920	2.3
79.05495	66.6
80.05813	1.0
81.03419	36.0
81.03901	1.8
81.07058	43.7
83.04980	9.2
83.08624	18.6
85.02908	19.2
85.06533	2.5
90.87972	0.9
91.05481	46.9
93.07047	62.8
95.04971	27.4
95.08608	22.0
97.02905	1.7
97.06546	5.9
97.10153	5.4
99.08097	3.9
105.04545	5.7
105.07034	29.9
107.04966	3.8
107.08585	17.6
109.06517	3.9
109.10152	9.2
111.04446	1.2
111.08089	8.1
113.06011	3.5
115.05418	1.0
117.07030	9.1
119.08584	22.2
121.06525	1.4
121.10145	36.3
123.08082	2.8
123.11711	2.4
125.09660	4.2
129.07008	10.5
130.07748	0.9
131.08577	15.4
133.06535	1.4
133.10127	14.9
135.08095	1.6
135.11729	8.3
137.09666	1.2
139.11119	1.0
142.07794	1.4
143.08539	3.0
145.10107	8.0
147.08034	2.8
147.11691	12.6
149.09613	4.3
149.13219	2.6
157.10146	9.7
159.11703	5.3
161.13284	2.8
163.11165	1.3
165.12794	2.1
169.10124	2.2
171.11659	1.9
173.09746	1.2
173.13266	5.1
175.11188	8.7
175.14851	1.3
177.12737	1.4
183.11752	0.9
187.14856	1.9
193.12241	37.8
197.13330	1.2
211.13281	40.7
212.13583	1.2
215.17986	5.6
233.19058	4.0
257.18921	1.1
267.16037	6.2
285.16937	3.3
289.21762	1.6
307.22714	3.9
407.29437	3.8
425.30420	3.1
443.31577	2.2
481.33386	1.4
499.34137	13.1
517.35248	100.0
518.35583	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	518.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52780	0.6
53.03932	0.7
55.01865	1.8
57.03429	2.5
60.98164	0.6
61.02926	3.8
69.03420	8.1
70.82263	1.0
71.04993	1.0
73.02901	1.4
81.03424	3.7
85.02903	30.0
87.04469	0.7
91.03953	1.8
97.02898	10.5
99.04463	2.4
109.02883	3.6
121.02793	0.9
123.04443	2.4
127.03901	8.3
127.56397	0.5
131.04945	1.3
135.04382	2.2
139.03917	1.3
145.02852	1.0
145.04947	9.2
147.04398	11.8
149.02316	3.9
149.05989	1.6
159.04398	1.3
161.05948	1.0
162.56865	0.6
163.02637	1.2
163.03908	15.3
164.04248	2.2
165.05444	0.8
175.03882	2.2
176.53084	0.7
177.01866	7.3
177.05418	3.8
180.08658	3.4
187.03894	2.7
189.05486	1.9
195.03020	0.7
203.03383	100.0
203.78467	0.7
204.03764	1.4
205.05019	5.9
213.05429	0.9
215.03381	8.4
217.04889	1.2
219.02875	1.2
229.04944	3.5
231.02887	13.6
231.06363	0.9
231.89412	0.8
233.04440	7.7
241.04922	0.7
257.04318	0.8
257.96686	0.7
259.05853	1.6
261.03940	11.0
265.03488	0.7
279.04977	21.3
283.54480	0.7
291.04962	28.5
292.86581	0.7
303.04941	2.5
321.06055	10.9
339.07083	48.6
340.07367	1.0
352.97961	0.7
356.09927	4.7
357.08197	1.2
518.14935	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.1
56.04779	0.1
56.05039	0.4
57.03440	0.2
58.06628	0.5
60.08162	6.1
67.05495	0.6
69.07065	0.1
70.06610	0.1
71.07374	3.1
79.05490	0.4
81.07047	0.5
86.09704	28.7
87.10020	0.2
87.67603	0.1
93.07027	0.3
95.08598	0.4
96.99780	0.1
98.23440	0.3
98.98463	3.3
102.01875	0.1
104.10741	3.0
107.08602	0.2
118.92714	0.1
125.00001	22.1
147.12399	0.1
162.45740	0.1
179.95627	0.1
184.07336	100.0
185.07660	0.6
258.10901	0.1
271.29633	0.1
335.25745	0.2
406.45248	0.1
500.31448	0.8
518.32416	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66387	0.2
55.05493	0.8
56.05047	1.3
57.03432	0.4
58.06345	0.3
58.06575	1.3
59.07371	0.4
60.08163	17.8
67.05509	3.4
69.07058	0.6
71.07374	6.6
71.08827	0.2
79.05492	1.9
81.07062	2.2
86.09705	48.0
91.05476	1.0
93.07044	1.7
95.08596	1.6
98.98467	4.1
104.10741	100.0
105.07027	0.4
105.11082	0.5
107.08607	0.8
109.10140	0.5
119.08551	0.4
121.10155	0.4
125.00003	27.8
131.08519	0.3
143.01102	0.3
163.01530	0.4
184.07339	95.4
185.07663	0.6
258.11047	1.2
266.07660	0.2
282.79498	0.2
282.82626	0.3
335.25922	0.8
391.73648	0.2
500.31332	8.7
518.32458	30.9
519.32220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25528	0.2
52.37022	0.3
67.05502	0.3
69.03431	0.4
69.07037	0.3
69.47810	0.2
70.59310	0.6
73.02940	0.4
75.17157	0.3
81.07067	0.5
85.02921	0.9
93.07047	0.4
95.04994	0.5
95.08596	0.5
97.02922	0.6
105.07048	0.4
107.08615	0.4
108.07645	0.3
109.06519	6.1
109.10142	1.5
121.10183	0.5
123.08070	0.9
131.08582	1.0
132.24030	0.4
133.10129	0.5
135.08038	2.6
173.13289	1.0
191.14354	3.7
209.15346	5.7
259.07999	0.4
299.40121	0.3
357.18832	3.5
459.22324	0.8
469.20468	0.6
487.21841	1.1
519.24176	100.0
520.24579	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	519.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44090	0.4
55.05516	0.5
57.03439	1.1
62.27579	0.4
67.05518	0.9
69.02803	0.4
69.03431	1.2
69.07068	0.7
70.96011	0.6
73.02918	1.6
73.06613	0.3
79.05467	0.4
81.07064	0.9
83.04990	1.0
85.02908	3.1
89.80896	0.3
91.05490	0.5
93.07053	0.4
95.04978	0.6
95.08616	0.9
96.08950	0.4
97.02901	1.6
98.59180	0.4
103.17537	0.4
105.07060	1.2
107.08607	2.2
109.06543	2.4
109.10155	1.0
115.02875	0.4
115.03929	0.8
119.08584	1.1
121.10166	1.6
123.08121	0.6
123.11732	2.1
127.03928	0.6
129.29018	0.4
131.08574	0.6
133.10164	1.6
135.08054	0.5
137.09605	3.6
145.10197	0.5
147.08072	0.5
147.11720	2.9
149.09697	1.1
156.09418	1.0
161.13318	1.1
165.12762	12.2
171.11723	1.4
179.14313	0.8
183.97534	0.4
189.12759	4.7
203.05382	0.8
207.13828	7.2
225.14816	0.5
233.63982	0.4
259.08005	1.5
283.15256	0.5
357.18704	2.5
363.04031	0.6
431.16953	0.6
451.64624	0.4
459.22034	0.8
469.21243	0.5
487.21591	1.2
519.24219	100.0
520.24500	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	519.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
57.07077	3.4
66.79815	1.6
67.05515	14.4
67.61956	1.6
69.03423	3.2
69.51295	8.5
73.02892	1.8
73.71537	1.7
74.22397	1.5
81.07085	2.2
83.04972	2.1
85.02898	2.9
85.06553	7.8
91.05498	1.9
93.07087	2.6
95.08605	68.9
95.09222	3.6
97.02897	2.3
105.07038	4.4
107.08593	7.3
109.06489	2.3
109.10150	2.9
113.06008	13.2
119.08570	13.9
121.10164	7.4
121.14935	1.7
123.08071	23.7
124.13946	1.7
133.10075	3.5
133.16278	1.8
135.11705	11.7
137.09616	1.8
147.11720	7.0
149.09618	33.8
161.13274	12.3
163.11217	6.8
165.12779	9.2
171.11674	2.2
189.12738	14.5
207.13806	100.0
208.14214	1.8
225.14824	5.5
246.75845	2.2
293.48929	1.9
349.35895	1.7
375.55408	2.0
410.51871	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	519.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25528	0.2
52.37022	0.3
67.05502	0.3
69.03431	0.4
69.07037	0.3
69.47810	0.2
70.59310	0.6
73.02940	0.4
75.17157	0.3
81.07067	0.5
85.02921	0.9
93.07047	0.4
95.04994	0.5
95.08596	0.5
97.02922	0.6
105.07048	0.4
107.08615	0.4
108.07645	0.3
109.06519	6.1
109.10142	1.5
121.10183	0.5
123.08070	0.9
131.08582	1.0
132.24030	0.4
133.10129	0.5
135.08038	2.6
173.13289	1.0
191.14354	3.7
209.15346	5.7
259.07999	0.4
299.40121	0.3
357.18832	3.5
459.22324	0.8
469.20468	0.6
487.21841	1.1
519.24176	100.0
520.24579	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	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.3
56.55649	0.7
57.03436	4.4
59.05005	1.5
61.02919	1.4
67.05501	2.1
69.03437	5.5
69.07069	0.7
69.33831	1.6
69.34230	3.1
71.05002	2.0
73.02922	8.9
75.07204	0.7
79.05500	1.6
81.07066	5.1
83.04988	1.4
85.02918	5.4
91.05475	8.8
93.07054	4.1
95.04986	2.2
95.08614	3.2
97.02907	5.0
97.06567	1.3
97.25792	0.9
98.23432	1.5
99.30554	0.7
102.88074	0.7
103.05418	1.6
105.07034	46.1
107.08614	3.9
109.06532	3.3
109.10151	2.1
113.06007	1.3
115.03947	3.6
115.05435	0.8
115.07604	1.0
116.06293	0.9
117.07038	1.4
119.04941	13.0
119.08577	15.2
121.06602	0.7
121.10155	7.1
123.08054	3.7
123.11752	1.0
127.03983	1.2
128.06267	1.5
129.07014	4.2
131.08568	21.9
133.04974	1.4
133.06512	2.6
133.10130	11.1
135.08081	5.1
135.11679	1.0
137.06035	1.4
137.09648	2.8
137.13292	1.7
143.08568	6.8
143.25606	0.8
145.04897	1.1
145.10133	6.7
147.08055	19.9
147.11708	3.8
149.09622	19.3
149.10825	1.1
151.07544	8.6
156.09344	15.1
159.11755	3.5
161.09584	1.1
161.13266	11.0
165.12811	1.4
171.11691	38.6
174.10526	1.4
179.14357	1.9
189.12747	100.0
190.13097	1.6
191.14331	6.5
207.13803	25.4
225.14859	10.6
249.14771	1.0
426.83884	0.9
546.88513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04720	1.2
55.01870	2.1
55.05508	3.1
57.03432	2.3
59.05001	8.5
61.02915	1.5
65.82306	1.6
67.05513	5.2
69.03423	5.6
69.07082	2.0
70.47859	2.9
73.02921	6.0
79.05511	2.9
81.03435	2.5
81.07051	5.4
83.05013	1.8
83.08624	2.5
85.02902	9.8
91.05449	6.6
93.07061	5.1
95.04964	2.5
95.08598	5.1
97.02902	7.5
97.06529	2.3
99.04440	2.0
101.06017	6.6
105.07030	16.0
107.04987	2.0
107.08586	34.3
107.09263	2.7
109.02833	1.5
109.06500	12.2
109.10152	12.0
115.03947	3.5
119.08582	14.2
121.06516	3.0
121.10159	4.4
123.08064	26.1
125.09641	2.4
127.03909	3.2
129.07024	1.6
133.04951	3.2
133.06487	2.7
133.10126	3.3
135.08038	6.6
135.11676	17.8
137.09613	100.0
145.04982	4.5
147.08028	3.0
147.11635	7.0
149.09639	10.1
151.07524	3.8
153.09120	2.6
156.09279	1.5
161.13242	16.6
171.11717	4.7
177.12741	3.1
179.14252	7.8
189.12749	18.4
207.13802	36.5
218.24411	1.3
225.14815	16.6
271.62030	1.4
339.17731	1.4
487.63983	1.6
519.06549	1.3
519.18134	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2935
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.70669	0.3
56.76076	0.3
57.03444	0.6
67.05519	2.1
69.07066	0.8
71.05027	0.3
79.05499	1.1
81.03397	0.5
81.07067	2.2
83.08633	0.8
85.02901	0.5
91.05511	1.0
93.07052	1.5
95.04984	0.6
95.08618	0.9
105.07013	0.7
107.08617	1.0
107.50079	0.3
109.06496	0.3
121.10131	0.5
126.34015	0.3
129.07062	0.3
131.08572	0.5
131.82062	0.4
133.10120	0.9
140.57094	0.4
147.11674	0.6
149.13351	0.4
159.53307	0.4
175.11192	0.4
177.80948	0.3
212.94080	0.3
218.35490	0.4
235.12997	2.3
251.12517	3.0
269.17535	0.6
291.15698	2.7
299.06100	0.4
307.15204	2.8
414.40103	0.4
469.59528	0.3
519.29291	100.0
520.29724	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	519.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
57.03428	0.6
60.54720	0.3
63.79848	0.3
64.73341	0.3
67.05505	1.9
79.05479	1.3
81.03430	0.7
81.07051	2.4
83.08624	0.7
83.17731	0.3
85.02901	0.4
91.05482	1.0
93.07029	1.9
95.04976	0.6
95.08599	0.6
97.06539	0.4
98.23517	0.5
99.08095	0.3
105.07060	0.3
107.08599	1.3
109.42403	0.4
119.08501	0.3
121.10172	0.8
131.08609	0.3
133.10126	0.7
149.13271	1.0
193.12256	0.4
223.73601	0.3
235.13080	3.1
251.12556	4.2
256.68277	0.3
269.17422	0.7
283.19662	0.3
291.15680	5.1
307.15161	2.1
417.98874	0.4
452.35217	0.4
519.29291	100.0
520.29596	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	520.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36929	1.4
56.96569	11.4
58.98222	1.5
66.88258	1.5
70.94246	2.1
71.37596	1.6
75.29481	1.5
89.03923	3.2
98.97580	74.7
107.05038	1.9
110.97575	5.5
112.99152	1.8
116.98629	24.6
117.03379	4.1
119.44503	1.6
124.99136	1.5
128.98619	6.1
134.99695	4.5
135.04448	6.6
143.00186	4.6
145.02835	7.0
146.99698	2.0
152.98602	1.9
156.03334	28.6
158.99669	7.5
161.01173	3.3
163.03912	40.4
164.04239	3.7
168.03316	23.8
169.01768	5.3
170.99640	3.4
174.04413	27.2
177.00729	6.9
177.45677	1.8
186.04382	67.5
187.02829	10.9
189.00693	2.1
192.05516	2.5
201.00681	4.9
204.05452	41.1
205.03802	2.9
211.02789	63.2
213.00603	1.7
219.01755	35.8
228.03157	2.5
228.05432	55.9
229.03836	100.0
237.02795	39.2
245.03308	2.7
246.06496	27.3
247.04941	9.0
261.02814	2.9
263.04404	5.9
271.04947	14.9
273.02979	1.9
279.03867	3.0
280.08640	6.3
288.07556	14.0
298.09650	3.2
313.53629	1.6
323.07687	1.6
331.07004	40.0
340.10641	11.6
349.03934	3.4
349.08090	62.7
374.07086	2.3
374.61731	1.9
391.09137	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.8
57.07084	2.3
61.02924	2.7
67.05507	6.0
69.03431	9.8
70.94660	1.1
71.05003	3.9
73.02927	12.7
79.05494	2.5
79.65486	1.0
81.07063	3.8
85.02902	8.6
85.06577	1.6
89.03301	0.9
91.05496	3.6
93.07056	4.0
95.04967	4.5
95.08613	4.3
97.02907	10.1
97.06522	2.5
98.23112	1.6
105.07036	6.5
107.08599	7.5
109.06530	100.0
109.10164	21.9
111.08102	1.9
115.03938	4.3
117.06966	1.6
119.08595	3.0
121.10137	3.3
123.08074	8.9
127.03897	1.4
131.08556	14.5
133.10146	25.9
135.08070	34.5
145.04971	2.5
145.10124	3.1
147.11674	3.2
149.09689	2.2
149.13264	2.1
150.63898	1.1
153.09131	4.4
158.10909	3.7
169.10463	1.0
173.13278	25.9
191.14322	94.0
209.15390	94.7
210.15775	2.1
272.25891	1.1
309.91373	1.1
456.86801	1.4
482.18127	1.1
488.97394	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05742	0.4
55.01874	1.1
55.05503	0.8
57.03437	6.7
57.07068	1.9
59.04984	0.7
61.02922	2.7
67.05498	3.7
69.03429	7.4
69.07065	1.1
69.51744	1.5
69.52150	0.6
71.01338	0.4
71.04631	0.6
71.04996	7.9
73.02917	11.2
75.43233	0.4
79.05484	2.9
81.03413	0.6
81.07050	4.1
83.04995	1.1
83.08620	0.7
84.78426	0.4
85.02905	12.2
85.06544	2.0
86.77131	0.4
87.04485	0.4
91.05482	2.6
93.07045	3.0
95.04971	3.7
95.08609	3.7
97.02897	8.7
97.06528	1.4
99.04446	0.9
105.07029	5.0
107.08608	6.4
109.06517	97.9
109.10154	20.8
110.06875	1.4
110.10464	0.6
111.08063	1.3
115.03938	4.9
117.07011	2.1
119.08560	1.8
121.06540	1.1
121.10147	3.8
123.08069	9.0
123.11779	0.6
127.03915	2.7
129.05493	1.8
129.07025	0.7
131.08562	10.8
133.04962	1.4
133.09367	0.2
133.10126	12.1
135.08052	36.6
135.11606	0.8
139.11237	0.9
143.08557	0.8
145.04922	1.9
145.10088	2.7
147.06520	0.5
147.11697	2.1
149.09598	3.0
149.13255	1.8
150.10373	1.2
153.09119	4.1
158.10934	1.3
161.09656	0.5
163.06023	1.1
163.14825	1.2
173.13269	16.7
191.14307	67.3
192.14624	1.8
195.08017	0.9
209.15364	100.0
210.15718	2.3
216.73242	0.4
223.05910	0.8
224.19458	0.5
224.87321	0.4
241.07079	0.5
259.08054	0.9
311.90738	0.5
319.50137	0.4
363.58185	0.4
371.20667	0.6
503.24173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78432	0.2
53.03952	0.2
55.01864	0.5
55.05498	1.0
57.03440	1.2
57.07069	1.5
59.05003	0.3
61.02908	0.4
65.03934	0.3
67.05500	2.5
69.03417	1.6
69.07069	3.8
69.21214	0.9
69.21616	0.5
71.04984	2.4
73.02911	1.3
77.03934	0.3
79.05479	2.2
81.03407	0.9
81.07051	10.4
83.04961	0.6
83.08614	1.5
85.02899	1.5
85.06522	1.5
87.04473	0.2
91.05477	2.4
93.07041	4.7
95.04976	1.0
95.08603	3.7
97.02885	1.8
97.06524	2.9
98.22680	0.3
99.39409	0.2
99.64148	0.2
105.07022	4.5
107.04948	0.3
107.08587	8.0
109.06507	5.1
109.10156	4.3
111.08071	0.4
115.03913	0.7
117.06994	0.7
119.08575	1.7
121.06512	1.0
121.10133	9.2
123.07143	0.4
123.08066	10.6
123.11697	33.8
124.12017	0.5
127.03883	0.6
130.24416	0.2
131.08559	4.6
133.04971	0.3
133.10117	16.8
135.08049	6.2
135.11679	2.6
137.09573	0.9
143.08559	0.5
144.09329	0.2
145.04927	0.5
145.10110	1.5
147.11662	1.0
149.09595	1.1
149.13268	1.1
158.10880	0.9
163.05914	0.3
163.11163	0.3
163.14804	4.3
173.13255	10.6
191.14293	100.0
192.14603	1.7
193.15826	0.7
201.12703	0.2
209.15370	3.5
212.74966	0.2
223.05927	0.2
259.07999	0.3
287.16357	1.1
293.83246	0.2
295.10062	0.5
305.17294	0.7
323.18539	1.8
347.13022	0.2
353.19519	2.5
371.20731	0.2
520.18414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05020	0.6
57.03431	0.2
57.87077	0.1
58.06630	0.4
60.08159	6.7
67.05494	0.6
69.07050	0.3
71.07365	3.1
81.07051	0.6
86.09699	30.9
87.10032	0.2
91.05431	0.1
95.08592	0.4
98.22708	0.3
98.98460	3.2
102.12214	0.1
104.10737	3.1
109.10143	0.1
124.99994	21.0
143.01047	0.1
144.02608	0.1
184.07327	100.0
185.07689	0.6
228.58359	0.1
258.11035	0.2
276.42776	0.1
453.57269	0.1
492.05823	0.1
502.32910	0.9
518.75641	0.1
520.26849	0.2
520.33972	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	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05515	1.2
56.05034	1.1
57.03427	0.4
58.06567	1.3
59.07366	0.3
60.08163	17.5
60.14555	0.2
67.05505	3.2
69.07064	1.2
70.06604	0.2
71.07371	6.9
79.05501	1.0
81.07056	2.8
83.08618	0.5
86.09704	48.8
87.10023	0.3
91.05495	0.3
93.07034	0.8
95.08611	2.2
97.06496	0.2
98.98469	4.2
104.10739	98.0
105.07013	0.3
105.11086	0.7
107.08588	0.6
109.10146	1.2
121.10091	0.3
123.11709	0.3
124.68057	0.2
124.99998	29.1
133.10034	0.3
143.01131	0.2
163.01569	0.6
181.02710	0.2
184.07333	100.0
185.07719	0.7
205.17209	0.2
237.17264	0.2
240.43178	0.2
258.10995	1.0
266.43243	0.2
337.27411	0.7
381.04092	0.2
443.26102	0.4
502.32910	7.9
503.33090	0.3
520.33978	35.0
521.34418	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	521.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01577	10.2
70.18977	26.6
96.90411	12.8
98.23100	20.8
98.97594	21.5
305.19736	11.8
351.17413	10.3
376.98340	15.0
394.99271	30.5
418.99286	29.0
521.03278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37466	8.3
69.42395	30.3
89.64766	9.1
94.93031	16.7
98.23466	16.5
129.42313	8.4
206.98207	10.6
210.94049	22.4
215.05347	9.2
387.04306	73.2
508.09705	10.1
521.03015	100.0
526.93292	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	521.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03212	1.0
56.96551	1.1
60.44767	0.9
78.53828	0.9
85.02882	1.1
91.05472	1.1
115.05405	2.0
118.06535	20.8
132.08041	4.9
142.06561	1.8
143.07262	3.9
144.08087	13.3
146.06003	61.6
159.09227	6.1
168.51793	1.0
170.06012	4.2
188.07063	100.0
189.07428	1.3
205.09724	44.0
206.10086	1.5
214.95357	3.0
216.96945	1.3
232.96432	4.5
262.58139	1.0
274.97528	1.6
291.00079	1.0
334.99667	2.1
489.06158	1.2
521.08142	1.8
523.28680	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	521.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64241	0.5
52.06669	0.5
54.00727	0.6
56.14876	0.7
62.16571	0.6
67.05499	1.2
69.07043	0.7
69.36758	2.9
70.20134	0.6
71.21604	0.7
71.41734	0.6
79.05489	1.1
79.72576	0.6
81.07053	1.4
83.08621	0.7
95.08588	2.0
97.10129	0.6
102.67908	0.6
105.29932	0.6
109.10124	1.1
119.08567	0.6
121.10147	0.6
185.04282	0.6
195.40952	0.6
306.25378	0.8
307.26205	1.4
325.27283	1.0
359.21921	100.0
360.22250	2.1
377.44095	0.7
384.28696	0.7
513.56824	0.8
521.27179	71.9
522.27386	3.4
530.85797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03995	0.5
67.05467	0.9
75.95185	0.5
81.07043	0.9
91.82625	0.5
93.48298	0.5
98.23425	1.6
133.34103	0.5
141.94388	0.6
153.68288	0.5
191.52928	0.5
359.21924	100.0
360.22351	2.9
429.15204	0.7
521.27222	81.3
522.27209	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	522.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29497	0.6
65.03918	1.2
67.05503	1.2
67.96293	0.5
73.62916	0.5
75.04484	0.7
76.66299	0.6
78.04690	0.7
79.05508	1.5
86.18732	0.5
90.04679	0.7
91.05486	4.5
93.07064	0.8
105.04533	0.8
105.07001	1.2
107.04954	5.7
108.05727	2.6
109.06509	1.4
118.04154	0.7
119.06096	0.6
119.08589	0.8
121.06519	3.1
123.08087	1.0
133.06462	1.1
135.04390	1.6
135.08066	1.4
136.05203	7.8
137.05965	2.4
138.06783	1.4
145.06432	1.4
147.08049	1.3
148.05190	7.3
149.06042	0.7
150.06732	1.9
151.07538	100.0
152.07970	0.9
153.09070	0.7
157.06505	0.9
158.07236	1.2
158.31517	0.6
159.08009	1.5
161.06039	1.5
163.07504	2.9
164.08331	1.5
165.05489	1.0
165.09119	8.7
166.06252	13.7
167.07036	2.5
169.08728	0.6
171.08025	2.0
172.08774	2.0
173.06007	1.6
173.09680	1.2
174.06729	1.4
175.07489	1.0
176.08328	1.9
177.09105	8.4
179.10602	1.6
180.07773	1.7
181.08594	70.6
182.09065	0.8
183.10170	0.9
186.10437	0.9
187.07526	3.6
188.08313	5.9
189.09103	6.5
190.09750	1.1
191.10677	3.1
191.72961	0.6
193.08601	2.7
195.10162	3.7
201.09134	3.8
202.09888	5.0
203.10652	10.0
205.08640	1.1
206.09390	0.7
207.10129	3.0
216.11447	4.0
217.12245	10.3
219.10152	0.9
221.11742	1.7
233.11737	4.0
247.13242	9.1
313.98904	0.6
321.14828	1.0
325.35794	0.6
339.15793	1.2
353.17477	3.0
354.18192	4.4
370.17761	14.2
371.18173	0.7
385.20078	64.8
386.20383	2.5
403.21030	3.8
445.22372	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98024	0.6
53.03928	0.8
55.01854	0.7
55.05505	2.7
57.03435	7.2
59.04992	1.0
61.02924	2.3
67.05500	2.1
69.03430	9.4
69.07063	8.9
69.22862	1.8
69.23273	1.6
71.01344	1.3
71.04986	2.9
73.02914	13.8
78.47948	0.5
79.05491	1.5
81.03413	1.4
81.07056	7.3
83.08623	5.4
85.02905	15.4
87.04461	0.9
91.05473	1.7
93.07037	8.4
95.04970	2.5
95.08612	9.2
97.02892	17.5
97.06529	17.4
97.10133	0.6
99.08106	0.7
104.60078	0.7
105.07046	4.2
107.08588	10.2
108.78476	0.6
109.02872	1.7
109.06517	11.1
109.10152	6.1
111.08069	1.9
111.11687	1.4
115.03945	9.0
115.07557	0.8
119.08578	11.7
121.10146	4.5
123.08073	7.1
123.11700	8.6
125.09655	0.8
127.03924	5.7
133.04947	2.5
133.10123	21.3
135.11697	18.5
137.09634	4.7
137.13242	0.7
141.12717	1.4
141.68993	0.6
145.04953	3.1
147.11678	1.9
149.13248	15.0
151.07503	1.6
151.11176	2.3
153.12758	1.7
163.06032	1.6
175.14824	31.4
181.08560	0.7
193.15880	70.2
194.16225	0.8
211.16928	100.0
212.17267	1.3
223.06026	1.3
230.63577	0.6
241.06982	1.7
255.09926	0.6
259.08136	2.7
295.10202	1.2
355.21054	0.7
373.22232	1.9
522.24030	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	522.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
57.03433	5.3
57.03708	1.9
61.02929	2.6
67.05504	5.7
69.03431	10.8
69.07078	12.2
71.04990	4.3
71.44568	2.2
73.02938	15.5
79.05499	7.0
80.95910	1.9
81.07059	13.9
83.08631	7.9
85.02897	13.4
88.51035	2.2
91.05509	5.2
93.07037	14.6
95.04980	3.2
95.08619	21.1
97.02896	11.2
97.10221	2.7
99.04461	8.1
99.08115	2.7
105.07027	16.8
107.08588	16.0
109.06520	4.6
109.10152	13.2
115.03934	6.5
119.08566	13.2
121.10168	18.8
123.11712	2.6
133.10123	9.1
135.11659	10.4
142.86183	1.9
145.04967	3.4
145.10269	1.9
147.11691	7.3
149.13248	7.9
151.07565	7.0
151.11183	4.2
175.14841	77.5
175.16377	4.2
177.16405	100.0
179.10648	3.5
181.08572	5.1
185.09731	2.5
193.15900	14.7
211.17000	5.0
227.16490	4.9
228.16815	5.0
276.26428	2.2
298.48669	2.1
342.44888	2.1
385.20117	5.8
522.23413	5.1
522.31476	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	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.32040	0.4
55.01872	0.6
55.05519	2.8
57.03191	0.6
57.03443	8.9
57.07072	0.7
59.05016	1.0
61.02909	1.9
67.05511	2.8
69.03436	10.7
69.07070	8.4
69.21085	2.7
71.01347	1.1
71.05000	2.8
73.02926	16.3
79.05496	2.4
81.03408	2.2
81.07066	6.9
83.08632	8.2
85.02412	0.8
85.02911	15.3
85.06559	1.1
89.15099	0.6
91.05463	2.1
92.72631	0.5
93.07049	12.1
95.04988	2.4
95.08616	12.0
97.02903	16.6
97.06541	16.4
97.10164	1.1
99.04443	1.8
99.08071	0.7
104.98070	0.5
105.07035	4.8
107.08596	9.8
109.02882	1.8
109.06523	12.7
109.10171	6.6
111.08080	1.9
111.11713	1.2
115.03952	8.9
115.07542	1.3
119.08597	11.6
121.10154	5.4
123.08067	8.1
123.11731	8.3
124.12035	0.7
125.09606	0.9
127.03933	4.1
133.04964	2.4
133.10139	20.8
135.11702	24.2
137.09624	5.6
137.13234	0.8
141.12758	1.3
145.04987	3.6
147.11694	1.9
149.13271	17.1
151.07550	2.0
153.12744	2.6
163.06021	1.2
165.12827	0.9
165.16454	0.8
166.06357	0.5
175.14835	29.6
181.08646	1.5
193.15897	78.7
194.16179	1.3
209.15320	0.8
211.16949	100.0
212.17302	1.4
213.73190	0.6
241.07059	1.9
253.17899	0.7
259.08163	2.1
295.10358	0.8
324.26160	1.0
373.22232	1.5
385.20035	1.1
522.23584	4.6
522.31000	0.5
523.19965	2.2
523.29205	0.9
531.77576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05035	0.5
57.03434	0.2
57.07076	0.2
58.06628	0.4
59.07404	0.1
60.08164	5.8
65.61503	0.1
67.05505	0.3
69.07072	0.3
70.06600	0.1
71.07372	2.8
79.05485	0.2
79.65831	0.1
81.79998	0.1
83.08622	0.3
86.09705	28.3
93.07037	0.2
95.08636	0.1
97.10167	0.3
98.98466	2.7
104.10735	3.0
121.10136	0.2
124.99999	19.5
140.67801	0.1
143.01012	0.3
151.07578	0.2
177.29425	0.1
181.08655	0.1
184.07335	100.0
185.07732	0.6
221.10835	0.1
246.29626	0.1
258.10889	0.1
339.28757	0.2
504.34372	1.1
522.35541	3.3
523.34735	0.1
549.72937	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.47546	0.2
55.05509	2.2
56.05034	1.4
57.03446	0.5
57.07060	0.8
58.06618	1.2
59.07376	0.4
60.08165	17.7
63.02330	0.2
67.05510	1.5
69.07077	2.7
71.07378	6.5
79.05505	0.6
81.07061	1.7
83.08627	1.4
86.09708	49.1
87.10038	0.3
93.07066	0.8
93.35498	0.3
95.08630	1.5
97.10154	0.6
98.23470	0.5
98.98463	4.1
104.10744	97.1
105.11098	0.5
107.08602	0.3
109.10186	0.6
121.10146	0.6
125.00005	28.1
135.11726	0.6
143.01114	0.5
151.07515	0.8
161.32481	0.3
163.01582	0.7
181.08586	0.4
184.07343	100.0
185.07741	0.5
258.11081	1.1
339.28967	1.2
385.20331	0.5
504.34473	9.4
504.41821	0.5
520.86414	0.3
522.35559	38.3
523.35767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60188	1.3
55.05508	13.3
57.06799	1.1
57.07073	3.3
67.05504	16.4
69.03443	1.3
69.07064	19.9
69.07439	1.2
72.32514	1.2
74.04849	1.1
79.05485	4.0
81.07056	68.1
82.74460	0.9
83.08626	9.9
85.02939	1.4
91.05453	1.2
93.07025	6.9
95.08604	76.8
96.97889	1.0
97.06516	2.7
97.10171	10.6
99.08092	1.4
100.84917	1.0
103.45994	1.1
105.07024	3.8
107.08601	8.6
109.10159	40.3
110.10487	1.5
111.08067	2.6
111.11724	6.6
119.08592	3.5
121.10159	6.9
122.62573	1.1
123.11705	23.7
123.76820	1.1
125.09637	1.5
133.10106	2.8
135.11702	5.9
137.13255	9.0
139.11174	4.5
141.09149	1.3
141.26991	1.2
143.10640	1.3
145.10115	1.5
147.11694	3.0
149.13251	4.1
151.07567	2.4
151.11201	2.4
151.14825	17.8
153.12724	1.5
157.12254	3.0
161.13266	4.4
163.11270	1.1
165.16388	2.4
175.14824	4.2
177.16425	1.6
179.14334	3.8
181.08643	1.6
183.13795	2.0
191.17957	1.2
192.32300	1.1
193.15788	2.8
197.15404	3.1
203.12785	1.6
207.17499	2.5
209.15277	1.1
215.18102	2.2
219.17494	2.6
223.17023	1.7
233.19101	2.3
237.18443	5.0
251.20059	4.1
253.21576	1.5
254.02155	1.2
271.24197	2.8
278.34314	1.1
289.25189	6.7
307.26309	100.0
308.26660	2.4
325.27353	20.1
343.28409	2.7
385.19791	1.8
528.07043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50079	1.0
55.05513	11.8
57.03421	1.1
57.07080	4.5
58.40630	1.3
67.05501	18.5
69.03438	1.9
69.07071	23.4
71.08635	1.7
76.32047	1.1
79.05492	6.4
81.07058	62.4
82.07369	1.4
83.08622	12.4
85.02914	2.3
91.05489	1.6
93.07057	9.0
95.08606	75.9
97.06578	1.9
97.10177	11.6
99.08073	1.7
105.07059	3.8
107.08591	10.1
109.10150	40.5
111.11700	7.6
119.08594	3.7
121.10123	7.2
123.11720	23.0
125.09599	3.2
125.13282	2.3
133.10129	3.6
135.11710	6.4
137.09662	2.2
137.13208	8.5
139.11214	2.0
143.10677	2.0
145.10152	1.4
146.68022	1.2
147.11667	3.4
149.13287	4.5
151.07535	4.2
151.11198	6.0
151.14806	10.9
153.12817	2.0
155.10646	1.9
157.12262	1.6
159.11684	2.2
161.13258	4.0
163.14786	2.1
165.12785	2.6
165.16414	2.6
169.12306	1.3
175.14839	3.4
177.16393	2.0
179.14355	3.9
179.18002	1.6
181.08638	3.8
183.13814	3.2
189.16341	1.9
193.15886	3.4
197.15347	2.1
201.16412	1.7
207.17508	3.8
215.17879	3.3
223.16977	2.1
233.19031	2.9
237.18459	2.7
251.20024	2.4
271.24149	3.1
289.25232	8.5
307.26315	100.0
308.26733	2.5
325.27341	39.2
327.02914	1.3
343.28409	2.9
359.22073	7.2
360.22263	26.8
361.23248	2.3
385.20056	4.5
522.27399	28.4
523.28595	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	523.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10923	0.5
50.16306	0.5
56.03781	0.5
56.13736	0.5
56.46061	0.5
56.96566	16.6
59.92342	0.5
69.54610	2.3
84.08113	0.8
84.96042	3.8
86.42743	0.5
97.96824	1.0
98.22742	1.1
98.97594	5.7
110.97598	3.1
116.98611	1.5
124.99110	2.2
128.98595	1.9
140.98555	1.0
143.00165	4.8
146.99629	0.7
152.98579	1.5
153.01797	0.8
158.99635	1.9
161.01227	3.4
162.97104	1.6
163.03944	0.9
164.98619	2.0
168.98035	0.6
170.99635	1.8
173.01288	0.5
177.00696	2.0
180.98061	6.7
181.08623	0.7
182.99655	5.1
185.42987	0.5
190.96497	8.3
190.98161	0.8
194.99683	1.1
198.97354	0.9
198.99165	13.5
201.00739	8.0
208.97589	40.6
209.97942	0.9
212.97060	1.6
213.00671	0.7
217.00208	2.9
219.01740	4.2
222.99095	2.1
223.02704	0.5
226.98645	100.0
227.99049	0.7
230.98015	0.8
231.99084	0.7
237.02890	2.9
239.02240	1.3
241.00220	6.4
244.99709	46.8
250.00258	1.9
250.98566	3.2
257.03235	0.7
259.01291	2.4
263.00763	28.6
267.01697	0.7
268.01266	1.0
268.99680	5.9
274.98541	1.3
283.01193	1.1
286.98389	2.3
287.01239	4.8
292.99606	1.7
295.01285	5.1
301.02341	0.7
304.99396	3.7
311.00803	1.6
313.02353	6.7
316.99582	0.8
323.00787	1.6
335.00699	8.4
353.01825	8.2
369.74557	0.5
371.02914	8.1
385.20187	0.6
389.03867	11.7
389.84555	0.6
415.24725	0.7
463.05527	51.4
464.05927	1.2
481.06580	27.0
499.07733	2.4
504.07880	0.8
523.07642	27.4
524.08057	0.7
541.08533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.5
57.03432	2.4
57.07067	5.2
63.89466	2.2
67.05500	25.8
67.25763	1.8
69.03436	3.9
69.07067	43.2
70.17730	2.8
70.18078	5.6
71.05636	2.0
71.08633	3.0
79.05487	7.7
81.07056	96.1
83.08625	14.4
85.02917	2.1
85.06532	4.3
91.05453	3.4
93.07055	17.7
95.08605	100.0
95.09217	5.0
97.06522	3.3
97.10171	15.7
99.08111	5.9
105.07020	5.7
107.08590	14.9
109.06561	2.9
109.10150	57.4
111.08080	4.4
111.11724	14.0
113.09654	3.6
119.08562	9.0
121.10155	13.7
123.08090	2.4
123.11707	32.0
125.09635	5.1
133.10164	5.1
135.11687	8.8
137.09566	3.2
137.13268	13.4
139.11200	7.7
145.10130	4.2
147.11697	4.7
149.13211	8.1
151.11218	5.2
151.14809	29.4
157.12234	9.6
161.13293	6.6
163.14819	5.1
165.12761	2.6
165.16391	6.2
169.12178	2.7
173.13220	2.9
175.14886	4.4
179.14246	6.6
181.45784	2.1
187.13283	5.0
187.14838	3.0
189.16360	2.9
191.17967	2.4
193.15823	5.6
197.15413	3.1
207.17529	3.9
209.15442	3.9
211.15204	2.6
211.17007	2.9
215.17941	6.1
219.17349	2.9
223.16902	3.9
232.20369	1.9
233.19008	4.1
237.18538	4.1
251.20021	7.2
271.24210	6.8
277.25162	3.7
289.25223	16.9
295.26205	4.4
307.26318	63.4
325.27380	12.7
343.28378	3.7
402.36389	2.3
516.87903	2.8
523.28510	50.0
523.41345	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.8
67.05512	29.2
69.03435	7.8
69.07065	63.3
70.00952	7.7
70.01266	7.7
71.04980	9.6
71.38493	5.2
73.02901	5.8
79.05495	13.1
81.07059	62.3
83.04972	10.4
83.08616	7.0
85.02885	6.3
87.79482	6.0
91.05470	10.0
93.07053	28.6
95.08615	60.1
97.02885	5.7
97.06551	13.1
97.10165	8.1
98.23350	8.2
99.08077	6.0
105.07051	16.0
107.08578	28.6
109.06496	5.5
109.10190	36.9
111.08111	6.9
111.11722	17.3
119.08620	11.4
121.10154	23.7
123.08118	7.6
123.11710	36.7
125.09596	7.4
135.11682	13.4
137.13272	6.1
139.11180	18.4
145.10107	9.7
147.11647	10.0
149.13260	12.8
161.13252	5.7
163.14737	6.3
165.12766	7.6
169.53683	5.1
175.14708	7.7
177.16383	9.9
195.17416	5.6
209.04500	10.3
211.16986	8.3
229.17998	11.5
231.35040	5.6
289.25302	13.3
290.58682	5.4
295.26266	24.0
307.26328	62.9
325.27347	23.1
340.34839	5.3
505.31232	8.0
523.20996	10.0
523.33215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84729	0.3
54.84039	0.3
58.41903	0.3
61.43979	0.2
70.71919	0.4
75.10353	0.3
76.44903	0.3
79.61183	0.3
84.79406	0.3
85.41116	0.3
91.43352	0.3
110.47025	0.3
112.87989	0.3
123.08087	1.1
124.07615	0.4
166.05826	0.3
189.63599	0.3
203.05284	0.4
287.73782	0.3
299.06287	0.3
325.11661	0.4
335.09540	11.4
393.18912	2.4
525.23126	100.0
526.23303	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	525.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96529	0.2
69.24798	0.7
78.87347	0.2
81.07056	0.4
95.08652	0.3
97.84671	0.2
121.10124	0.3
123.08071	0.3
123.11715	0.4
155.03197	0.3
169.04680	0.3
203.05353	0.6
210.61728	0.2
231.13553	0.5
275.07419	0.4
317.08600	0.3
318.55542	0.2
333.07977	2.0
335.05368	0.4
335.09454	6.8
393.18805	4.3
486.44803	0.2
525.23041	100.0
526.23444	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	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88405	1.9
55.05507	12.6
57.07072	2.0
57.70789	1.8
59.04980	3.6
65.03934	2.8
67.05495	24.8
69.03429	6.5
69.07066	18.3
69.21304	11.1
69.21706	3.9
71.04994	30.1
73.06535	3.6
77.48155	1.8
79.05493	14.2
79.05869	2.2
81.03409	5.4
81.06628	3.3
81.07061	48.6
83.04973	5.8
83.08616	8.4
85.02895	6.2
88.14586	2.0
89.06017	4.2
91.05479	14.9
93.06451	2.3
93.07043	44.3
94.51410	2.2
95.04960	26.7
95.08617	24.1
97.02892	3.4
97.06528	6.1
97.10183	2.9
105.07023	35.1
107.08592	100.0
109.02893	3.0
109.06516	7.4
109.09421	3.1
109.10160	52.0
111.08084	45.8
113.06038	2.2
117.07037	3.3
119.08577	49.1
121.06499	2.7
121.10139	20.7
123.04402	3.1
123.08088	3.6
123.11711	6.8
125.06148	2.0
125.09631	39.4
127.03859	3.1
127.11179	2.9
129.05490	2.2
129.06992	2.9
131.08554	14.7
133.10114	17.7
135.08081	2.9
135.10770	2.9
135.11702	43.5
137.05995	2.7
137.09590	2.3
139.07503	3.1
145.10141	36.1
147.08047	9.4
147.11685	78.9
149.06018	2.0
149.09631	5.7
149.13235	3.5
153.12743	36.9
157.10138	7.8
159.11696	11.9
161.09576	3.9
161.13214	4.8
163.11209	3.4
165.09119	3.8
165.12766	8.8
171.11598	2.5
173.09695	2.3
173.13251	3.1
175.11165	11.3
175.14828	8.4
189.14670	2.6
189.16388	50.2
191.17923	4.6
193.15874	3.8
199.14803	6.6
207.17404	6.7
217.15878	56.2
224.13947	2.1
227.38586	2.4
235.16920	65.9
253.17979	43.7
254.18405	2.5
379.21039	7.4
393.06006	4.7
397.22220	5.3
525.30554	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05506	8.1
56.32992	1.5
56.85413	1.3
57.03434	1.8
57.07061	4.7
58.60735	1.3
61.02943	1.5
62.73370	1.7
62.80025	1.3
67.05504	14.3
67.55668	1.4
69.03442	2.0
69.06712	1.9
69.07069	31.0
71.04984	3.1
71.08611	1.8
79.05490	6.5
81.07055	56.0
83.08623	12.8
85.02912	4.1
85.06548	8.2
86.89158	1.4
91.05457	2.2
93.07043	14.8
95.08023	2.9
95.08606	47.2
96.08943	1.5
97.02875	2.3
97.06516	4.1
97.10175	5.7
99.08083	5.5
105.07011	4.7
107.08586	18.5
109.10158	19.5
111.08076	7.3
111.11705	6.8
115.07521	1.4
119.08591	5.2
121.10147	12.7
123.11703	21.3
125.09674	1.7
125.13269	2.7
127.03909	1.5
127.11169	3.6
127.12113	1.3
129.39272	1.5
133.10130	3.1
135.08009	1.4
135.11703	9.0
137.09688	1.9
137.13261	17.4
139.11241	1.8
139.23383	1.2
147.11661	3.2
149.13249	16.7
151.14809	3.0
153.12781	10.6
155.14261	4.5
161.13287	1.8
163.14801	5.1
165.12750	2.1
165.16377	1.7
167.14375	2.6
171.13759	2.9
173.15363	3.2
177.16374	4.5
178.16705	2.3
185.15317	1.6
203.05284	1.5
203.18018	1.7
217.19513	2.2
225.83418	1.5
253.08595	2.3
273.25739	2.2
275.07938	1.3
279.26804	6.2
291.26855	13.5
297.27850	5.1
309.27823	24.1
315.29028	2.9
327.28894	5.5
332.74945	1.3
333.08029	2.2
335.09598	10.3
345.29993	5.2
363.17422	1.6
393.18713	3.3
525.22937	100.0
525.32159	6.9
526.23267	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	526.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.0
57.03426	9.7
69.03431	2.3
69.07062	3.2
71.04996	70.2
73.02933	3.7
75.04494	4.5
81.07061	7.0
83.04979	7.5
85.02405	5.4
85.02914	95.4
89.13247	2.3
93.07034	3.0
95.08582	5.5
97.02892	5.7
102.11147	2.5
107.08586	4.3
109.10177	2.7
111.04469	5.3
118.99001	2.6
119.08646	3.0
121.10137	3.5
127.03952	6.4
129.05496	46.9
133.10138	2.8
145.04974	4.4
147.06535	15.9
163.30431	2.4
164.09239	5.2
183.08073	14.9
183.13765	4.1
197.09627	8.8
215.23933	2.6
225.09109	5.1
267.10236	6.3
278.38254	2.7
293.11703	3.8
303.61603	3.3
335.09235	4.0
336.09851	4.0
391.40662	2.8
394.19202	5.4
395.20367	3.9
525.30841	2.6
526.23291	100.0
526.30847	24.4
527.17615	4.0
527.24664	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	526.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89766	10.9
55.05515	24.3
61.29377	9.1
67.05513	57.0
67.32139	12.0
69.07085	16.6
71.42648	9.5
79.05514	87.8
81.03423	52.8
81.07072	69.6
83.04969	26.6
83.08620	26.5
85.02894	13.4
91.05493	84.6
93.07056	70.6
95.04967	41.5
95.08596	25.1
105.07037	60.0
107.04950	11.6
107.08604	16.0
113.06405	9.8
117.07037	18.1
119.08590	33.0
121.06445	10.5
121.10133	10.7
125.01918	10.2
129.07039	17.2
131.08600	13.6
133.10156	23.5
147.11705	40.9
155.45030	10.6
157.10196	17.4
171.11723	29.0
174.55678	10.4
175.11237	12.8
193.12283	40.7
200.88736	11.1
207.13832	48.8
211.13313	35.5
267.15878	37.8
281.17542	100.0
285.17020	44.7
369.88516	12.2
401.35962	11.3
452.32040	11.2
473.29089	46.5
491.30219	68.8
526.36609	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28946	1.1
55.05507	3.8
57.07079	59.8
67.05501	3.3
69.07061	5.8
71.08633	50.2
73.06564	3.7
73.35739	1.2
81.07059	1.7
83.08618	5.0
85.10182	32.2
85.46507	1.1
87.04477	3.9
89.06035	100.0
90.39183	1.2
91.05470	2.2
93.33040	1.2
95.34213	1.4
97.10210	2.8
99.11708	6.3
107.07059	1.5
111.11716	2.5
113.13274	6.0
117.09119	5.2
125.13264	2.8
126.14820	1.4
127.14831	3.8
130.08644	2.5
133.07594	2.9
133.08607	61.5
137.12679	1.1
139.58505	1.3
177.11230	29.5
183.21030	2.1
221.13924	5.5
227.99391	1.2
239.14876	2.9
271.26358	4.0
283.17563	2.6
301.18021	1.3
315.28964	6.9
327.20145	26.1
421.35406	2.1
509.40591	32.2
510.40732	1.8
526.42017	4.3
527.37170	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
67.05499	0.8
69.07093	0.9
70.68763	1.1
75.98518	0.7
79.05477	1.4
81.07059	2.0
83.49399	0.6
85.66738	0.7
91.05455	1.2
93.07039	1.6
95.08585	2.3
105.06998	1.3
107.00866	0.7
107.08610	1.2
109.10162	1.8
120.57462	0.8
121.06480	0.8
121.10161	1.1
123.08059	0.8
123.11674	1.3
133.10049	0.8
149.09657	0.7
154.47513	0.7
181.12253	1.0
193.12309	1.0
233.73518	0.7
323.11404	0.8
395.20428	7.7
527.24573	100.0
527.31335	5.5
528.24902	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20473	0.1
55.05500	0.2
63.67604	0.2
67.05494	0.3
69.07081	0.2
69.93916	0.4
69.94265	0.2
71.04996	0.2
75.09798	0.2
78.60026	0.2
81.07055	0.3
83.04995	0.3
85.02905	0.2
91.05477	0.2
93.07059	0.2
95.04902	0.2
95.08590	0.3
105.07045	0.2
107.08614	0.2
109.06535	0.3
109.10213	0.3
117.91509	0.1
119.08575	0.2
123.08083	0.4
125.05939	0.2
130.79100	0.1
133.10121	0.3
135.11755	0.2
137.09673	0.2
145.10130	0.2
193.15901	0.2
233.15236	0.2
275.07492	0.3
295.64648	0.2
312.67902	0.1
317.08380	0.3
333.08051	0.2
335.09558	1.3
395.20395	6.1
521.81512	0.2
527.24622	100.0
528.24945	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	528.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01859	1.3
55.05511	3.2
56.71123	0.9
57.03432	10.7
61.02946	1.4
67.05524	1.4
69.03426	2.4
69.07069	2.4
71.04999	71.8
71.44437	1.3
73.02931	3.5
73.06538	1.3
75.04491	5.2
79.05525	1.1
81.03452	1.4
81.07073	1.8
83.04986	13.7
85.02910	100.0
87.04464	1.5
93.07075	2.1
94.28680	0.9
95.04984	3.4
95.08613	2.4
97.02902	5.6
97.10192	1.4
99.04482	1.4
102.70100	0.9
105.07023	1.4
107.05025	1.5
109.02902	1.2
111.04469	6.4
111.11723	4.4
117.07018	5.5
123.08046	1.1
127.03931	3.8
129.05487	52.6
129.12814	1.8
133.06509	1.0
133.10161	1.5
143.08548	1.3
145.05042	2.1
147.06535	22.3
151.07506	1.3
155.54813	1.1
159.11732	2.2
161.09651	4.8
164.09221	4.4
174.09175	1.0
175.07640	0.9
180.08723	1.6
185.09602	7.1
203.10699	14.7
224.57924	0.9
225.11298	2.3
229.08580	1.0
239.12881	1.1
255.08572	1.4
295.13251	1.6
313.14279	3.7
331.15332	2.8
375.94254	1.0
485.56100	1.1
529.33099	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	528.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24495	3.3
53.03943	3.7
55.01876	9.6
55.05511	10.5
57.03436	10.9
67.05502	11.1
69.03437	17.1
69.07060	8.8
69.43837	11.2
69.44252	7.0
71.04984	18.1
79.05497	12.3
81.03428	23.7
81.07058	31.7
83.04972	13.0
83.08619	6.8
85.02910	5.6
85.06573	3.6
91.05483	14.7
93.07063	27.4
95.04977	8.7
95.08635	28.5
97.02881	8.1
97.06541	20.0
99.04456	7.2
105.07039	55.1
107.04955	4.5
107.08591	36.5
109.02884	23.7
109.06538	17.1
109.10175	19.7
111.04463	6.8
111.08083	24.4
117.07051	4.7
117.61124	3.5
119.08604	47.4
121.06544	6.7
121.10165	17.2
123.08073	100.0
123.11713	5.4
124.07573	5.0
127.03979	17.5
127.07563	22.1
129.09120	10.6
131.08583	10.1
133.10133	21.6
135.08127	4.3
135.11716	5.1
143.08565	12.3
145.10130	28.4
147.08070	5.2
147.11685	48.8
149.09682	14.1
149.13292	5.1
155.08554	4.8
157.10121	12.3
159.11690	10.7
161.09619	9.7
161.13332	8.4
163.11191	17.4
165.12753	8.1
169.10075	3.4
171.11813	3.8
173.09779	3.9
173.13344	3.9
175.11244	8.6
175.14897	20.9
183.07932	3.7
185.13292	10.4
187.11200	4.7
191.14441	3.8
193.12257	3.8
193.15889	8.6
199.11220	3.9
201.12721	5.7
203.12485	4.7
203.14333	34.8
205.15854	4.4
219.13849	4.6
221.15381	69.9
239.16412	30.0
245.15422	6.3
257.09293	6.5
287.10040	5.5
311.16263	5.8
329.17474	11.3
347.18500	17.3
365.19608	45.7
383.20670	43.4
528.24194	20.5
528.32068	5.6
529.26453	5.4
552.72247	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	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01874	5.7
55.05511	13.0
57.03433	15.3
67.05507	25.4
69.07067	9.5
71.04980	6.6
79.05512	33.4
81.03420	38.0
81.07059	33.0
83.04970	13.8
83.08627	19.2
85.02901	24.0
90.25793	4.7
91.05502	24.5
93.07052	41.4
95.04958	29.1
95.08597	29.6
97.02905	9.7
97.06522	6.0
105.07032	22.8
107.04964	13.3
107.08620	18.6
109.10181	6.3
111.08089	10.4
117.07039	8.2
119.08586	24.1
121.06451	5.1
121.10159	12.7
125.06006	7.3
129.07030	5.5
131.08646	6.9
133.10121	7.9
135.11703	37.3
145.10121	21.0
147.11679	10.7
154.07436	5.1
157.10156	5.6
163.11182	46.1
175.11160	8.8
177.12767	9.7
181.12207	9.8
193.12279	22.8
196.97801	4.4
203.57614	4.3
209.11720	5.5
211.13272	42.0
227.12802	70.4
267.15915	25.3
283.15405	56.0
285.16962	100.0
351.60626	5.3
475.26987	18.7
493.28027	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.1
55.01871	11.2
55.05527	38.2
55.89117	4.7
57.03444	20.2
57.22460	4.6
59.04992	4.8
65.03956	5.2
67.05518	34.7
69.07070	11.3
69.54453	4.6
71.04992	12.3
71.42839	6.6
79.05498	46.8
81.03424	73.6
81.07069	50.2
83.01341	10.0
83.04991	31.8
83.08634	38.8
85.02898	27.1
91.05503	35.7
93.07050	42.6
95.04976	36.0
95.08598	9.0
97.06539	8.4
105.07034	30.7
106.29549	5.1
107.04948	17.4
107.08608	17.9
109.06537	13.0
109.10155	5.0
111.04424	6.2
111.08082	8.4
117.06968	7.0
119.08629	25.4
121.06544	5.3
121.10149	13.8
123.08108	5.4
125.09567	6.1
128.97998	4.6
129.07013	12.9
131.04953	4.5
131.08569	11.9
133.10149	11.4
135.11713	10.1
145.10147	21.6
147.11719	14.4
149.09644	5.2
150.61349	4.8
157.10143	14.8
162.59862	4.4
163.11195	18.3
173.09735	8.6
175.11198	18.2
193.12288	56.5
209.11830	5.6
211.13316	81.8
221.19643	5.3
227.12820	5.0
262.51804	5.6
267.16003	18.7
283.15427	100.0
285.16998	75.0
475.26834	14.4
493.28000	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81784	1.5
53.79955	1.5
56.96560	3.8
60.89684	1.7
64.22253	1.6
68.61576	1.5
73.59011	1.4
75.85183	1.5
85.02888	2.2
98.97591	16.9
99.22215	1.4
110.97568	7.0
112.34162	1.5
116.98624	6.4
128.98596	6.0
130.93314	4.6
154.93303	12.4
172.94316	20.5
180.94919	2.0
190.95395	13.9
192.16127	1.5
196.94334	26.2
198.74989	1.4
198.95935	3.1
208.94528	3.1
208.96428	3.8
214.95395	89.4
215.20108	1.6
216.97018	1.8
222.47144	1.8
222.95920	3.8
226.95401	20.1
228.97021	3.4
230.98384	2.4
232.96445	84.1
240.96964	9.7
242.94858	3.2
244.96483	17.0
246.98070	3.8
250.97548	14.3
256.96426	20.7
258.98047	15.8
264.96817	2.2
268.96439	15.3
274.97485	22.8
276.98953	2.5
282.97964	6.0
286.97516	36.0
292.98581	2.8
298.97519	7.1
300.99152	4.2
304.98376	12.0
306.98010	7.0
316.98508	22.2
318.97836	2.2
324.99078	19.9
334.99579	28.5
336.99100	7.3
343.00061	7.3
348.99014	3.8
353.00861	2.3
355.00327	3.6
358.99545	6.8
367.00250	5.9
377.00577	8.0
378.99994	2.1
383.52301	1.7
383.57382	1.6
427.02429	14.3
445.03250	5.7
469.03320	100.0
487.04340	51.6
505.05331	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	529.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	17.4
59.92780	0.7
63.24736	0.6
64.38862	0.6
66.21428	0.7
67.86895	0.7
69.03428	0.6
69.71687	0.7
69.78561	0.8
69.78873	1.7
76.10857	0.7
80.62926	0.7
84.96043	5.6
85.02917	1.1
98.22830	1.1
98.23380	1.4
98.97593	49.5
103.75511	0.7
110.03230	0.8
110.97576	17.9
112.99142	3.9
116.98637	16.2
124.99142	1.6
126.40813	0.7
126.97103	1.2
128.98621	19.6
131.00203	3.9
134.99672	3.5
137.05829	0.6
140.00157	0.8
140.98618	5.3
143.00168	6.5
144.98126	3.3
146.99652	6.6
152.98622	2.9
153.20175	0.6
155.00185	1.2
155.11804	0.7
158.99667	10.0
161.01291	7.2
161.02701	1.6
162.99220	1.5
167.03476	0.9
170.99637	6.0
173.01274	2.0
177.00734	10.6
177.02232	1.2
179.02364	1.1
179.03795	21.8
189.00737	5.5
191.03818	1.2
191.08211	2.2
193.05447	1.6
195.03427	1.2
197.04872	12.8
201.00690	5.2
203.03769	3.6
207.03384	0.9
211.06433	1.3
219.01791	40.0
221.04872	25.3
225.04449	1.2
233.04948	1.8
235.06497	1.3
237.02838	52.8
239.03534	1.1
239.05856	7.2
242.03291	0.9
245.04820	1.4
247.06488	1.4
249.04372	3.4
255.03944	3.3
257.04828	2.3
260.04504	2.4
263.05939	9.0
275.06006	1.7
281.06995	1.2
282.06824	0.9
306.04987	0.8
311.07657	0.7
323.08044	88.4
324.08472	2.3
341.09113	76.3
342.09482	1.3
364.10938	1.2
367.16223	2.3
469.13876	100.0
470.14148	3.1
529.26746	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85305	0.5
52.84009	0.4
54.97771	0.5
60.68107	0.5
63.00053	0.6
70.70309	0.9
74.02443	0.8
83.14298	0.5
91.05437	0.7
115.05453	1.4
117.05732	0.6
117.07030	1.2
118.06543	18.4
130.06522	1.4
132.08092	5.4
142.06493	2.1
143.07327	2.7
144.04393	0.7
144.08084	12.8
146.06003	58.9
159.09200	6.0
160.07579	0.9
170.05992	3.3
188.07063	100.0
189.07362	1.3
205.09720	49.3
206.10139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.82891	0.2
62.75783	0.2
67.05521	0.4
69.07075	0.4
69.31611	1.4
69.77896	0.2
71.04993	0.3
74.53887	0.2
79.05484	0.4
81.07060	0.9
91.05484	0.4
93.07053	0.5
95.08634	0.4
98.22913	0.9
105.07063	0.4
107.08620	0.8
112.18670	0.2
119.08571	0.2
121.10148	0.5
122.89751	0.2
131.08618	0.2
132.43442	0.2
133.10150	0.6
136.37912	0.2
147.04413	1.4
159.11604	0.3
167.69946	0.3
275.07379	0.4
335.09424	2.7
367.21136	0.6
397.21967	2.5
419.24054	0.4
511.25357	0.3
529.26251	100.0
530.26599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09019	0.2
57.07066	0.2
67.05490	0.4
68.70213	0.2
69.03419	0.3
69.07063	0.7
71.51411	0.2
81.07055	0.6
93.07008	0.2
95.08616	0.4
97.10219	0.2
105.07057	0.4
107.08555	0.2
109.10173	0.2
111.11717	0.6
112.12058	0.4
119.08575	0.3
121.10160	0.3
129.12775	0.6
130.76826	0.2
147.11691	0.3
172.47137	0.2
193.12189	0.3
217.17815	0.2
262.80435	0.3
331.22842	0.3
344.84583	0.2
359.33252	0.2
367.28271	0.9
409.29373	0.3
481.30942	0.4
517.10522	0.2
529.33496	100.0
530.33899	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89808	0.6
55.05514	0.7
57.03446	0.9
60.38868	0.6
67.05522	1.0
69.03432	0.7
71.04971	3.1
79.05505	1.0
81.07050	1.9
85.02922	3.3
91.05476	0.9
93.07046	1.2
93.42551	0.6
95.01173	0.6
95.08605	1.1
97.06580	0.7
109.10205	1.1
119.08602	0.6
123.14922	0.6
129.05504	1.4
133.10036	0.6
145.10115	0.8
147.06613	0.6
147.99068	0.6
200.79826	0.6
203.05287	4.5
349.27158	17.8
367.28433	1.3
527.26575	0.7
529.33435	100.0
530.33783	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05517	8.6
57.03431	2.6
57.07076	2.6
58.53460	1.1
60.29775	0.9
65.03944	1.4
67.05508	24.7
69.07061	10.4
71.08646	1.6
74.29317	0.9
79.05493	18.5
81.03420	2.7
81.07056	28.2
83.04987	1.5
83.08604	5.1
85.06539	1.4
91.05482	15.2
91.51550	1.1
93.07047	19.7
95.04972	4.6
95.08611	15.4
97.06525	2.3
97.10174	2.7
99.08111	1.2
105.07042	14.4
107.08588	7.5
109.10160	5.7
111.08110	2.0
117.07009	7.9
119.08574	12.4
120.22543	1.1
121.10140	7.1
123.11701	2.5
125.09657	1.6
128.06248	1.3
129.06998	6.8
131.08563	14.4
133.10146	7.7
135.11713	4.2
141.07001	2.0
143.08517	6.8
145.10123	11.5
147.11679	4.8
149.13249	5.6
155.08580	3.1
157.10118	5.0
159.08228	1.0
159.11708	6.1
161.13281	3.3
163.14882	1.3
169.10196	3.3
171.11742	3.3
173.13290	4.4
175.14828	2.3
181.10185	1.8
183.11784	3.2
185.13312	3.0
187.14876	4.1
193.12346	1.3
195.13902	1.9
197.13269	2.1
199.14877	3.5
201.16350	1.7
209.13245	1.1
211.14838	2.1
213.16422	2.8
215.17862	1.4
225.16351	1.7
227.17978	1.5
261.22122	1.4
325.25269	1.3
356.89142	1.1
419.33249	3.1
437.34238	10.1
455.35294	2.6
473.36191	2.4
511.37741	4.3
529.38934	100.0
529.50848	3.1
530.39075	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	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68507	0.6
53.03942	0.8
55.01889	0.9
55.05511	7.0
57.03445	1.5
57.07068	2.1
60.05656	0.7
65.03926	1.2
66.18857	0.6
67.05503	16.7
69.07067	5.3
70.07856	0.9
70.08154	1.1
71.04998	1.1
71.08643	1.0
79.05495	12.1
80.83845	0.7
81.03437	2.4
81.07056	19.2
83.04980	1.4
83.08623	5.5
85.06524	0.7
91.05480	9.6
93.07047	14.8
95.04977	2.4
95.08604	12.1
97.06531	1.4
97.10183	1.8
105.07026	9.6
107.08594	6.4
109.10149	4.7
111.08092	1.1
115.05510	0.7
117.07006	5.1
119.08585	9.4
121.10121	5.1
123.11712	1.7
125.09615	0.6
129.07001	3.9
131.08553	11.1
133.10120	4.9
135.08043	0.7
135.11729	4.0
137.13252	0.8
139.11241	0.6
141.07025	0.8
143.08534	4.4
145.10118	9.8
147.11668	3.1
149.09662	0.8
149.13239	4.2
155.08566	2.0
157.10138	4.7
159.11688	5.9
161.13255	2.2
163.14850	1.0
165.12741	0.8
167.08412	0.9
169.10117	2.0
171.11676	3.1
173.13272	3.1
175.14830	1.8
177.12775	1.0
181.10112	1.3
181.92877	0.7
183.11780	1.7
185.13306	2.0
187.14809	3.1
189.16393	1.2
193.12227	0.8
195.11807	1.5
197.13322	2.0
199.14925	2.6
201.16431	2.4
211.14923	1.8
213.16415	1.6
223.14813	1.1
227.17928	0.9
239.18114	1.0
243.21321	0.9
256.05215	0.6
261.22156	1.8
311.29428	0.9
313.25418	1.0
317.24918	1.4
403.28699	0.8
419.33221	2.8
426.23453	0.8
437.34134	9.6
455.35370	3.7
473.36041	1.8
511.38083	4.4
528.49750	1.0
529.38885	100.0
530.39417	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34569	0.3
51.51711	0.4
53.03934	0.7
55.01857	1.1
55.05252	0.6
55.05512	7.9
57.03439	2.7
57.07082	1.9
65.03927	1.2
67.05505	20.3
68.26265	0.3
69.03437	0.4
69.07066	8.2
69.13376	1.4
69.13776	1.0
71.04987	1.2
71.08614	0.6
74.42996	0.3
75.04528	0.4
79.05492	13.1
81.03430	1.0
81.07056	20.7
83.05010	0.9
83.08616	4.9
85.06534	1.0
89.06109	0.4
91.05479	12.9
93.07041	16.1
95.04956	2.4
95.08603	12.6
95.36812	0.3
97.06538	1.5
97.10159	2.3
99.08098	0.9
105.04519	1.1
105.07031	12.9
105.07737	0.7
107.04971	0.5
107.08591	8.0
109.06538	1.0
109.10146	4.0
111.08065	1.0
115.05424	0.8
117.07018	7.4
119.08572	9.5
121.06541	0.5
121.10143	6.7
123.08056	0.9
123.11731	1.6
125.09649	0.9
128.06247	0.9
129.06995	5.7
130.07802	0.6
131.08559	15.4
133.10127	5.5
135.11707	3.5
137.09587	0.4
137.13239	0.5
139.11188	0.5
141.06947	1.8
142.07814	0.5
143.08556	7.3
144.09346	0.4
145.08969	0.6
145.10121	12.3
147.11661	2.9
149.09648	0.4
149.13272	3.3
155.08533	2.8
156.09270	0.4
157.10112	6.1
159.11707	6.7
161.13251	2.5
163.11276	0.4
163.14835	0.4
167.08580	1.2
169.10118	3.3
171.11693	4.7
173.13245	4.4
175.11191	0.4
175.14848	2.1
177.12714	0.6
181.10126	1.7
182.10811	0.5
183.11713	2.9
185.09750	0.7
185.13234	3.8
187.14821	3.6
189.16377	0.6
195.11714	2.2
195.13739	0.8
197.13254	3.1
199.14842	3.7
201.12714	0.4
201.16347	2.3
203.14436	0.4
207.11739	0.4
209.13303	1.1
211.14783	2.1
213.12904	0.4
213.16374	1.8
215.17940	1.4
223.14796	1.0
225.16473	1.4
227.18016	1.5
229.19493	0.5
237.16512	0.5
239.18091	0.7
241.19585	0.6
243.20990	0.5
256.26437	0.7
261.22076	1.8
271.20599	0.7
275.20132	0.5
281.22693	0.6
285.22092	0.6
297.22122	0.5
299.23746	1.1
311.23734	0.8
313.25342	1.1
317.24899	1.0
325.25381	0.7
327.27042	0.6
339.23087	0.6
339.26968	1.1
343.26389	0.5
349.24863	0.5
409.34988	0.6
417.29993	0.7
419.32990	1.6
437.34125	9.3
455.35205	3.6
473.36130	1.2
475.36264	0.5
493.36655	1.0
511.37759	4.2
529.38867	100.0
530.39166	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42251	0.7
53.03944	2.7
55.01876	2.6
55.05512	15.7
55.05778	0.9
55.87381	0.6
56.59481	0.6
56.65957	0.9
57.03439	4.1
57.07073	2.4
59.05009	0.9
62.52583	0.7
65.03942	3.1
66.13404	0.8
67.05504	62.6
69.03420	0.8
69.07069	20.1
71.04995	3.2
72.36423	0.6
77.03931	1.5
79.05493	46.6
81.03432	3.2
81.07056	67.0
83.04971	4.9
83.08611	11.8
85.06548	4.2
91.05476	26.6
93.07044	62.3
95.04971	9.6
95.08607	34.7
97.06528	8.3
97.10169	2.4
99.08103	2.8
105.04491	3.7
105.07030	17.7
107.05000	0.9
107.08592	31.0
109.00514	0.7
109.06495	3.3
109.10159	9.3
111.08080	4.9
113.09666	1.0
117.07020	10.2
119.08583	11.6
121.06510	0.9
121.10140	24.8
123.08125	1.6
123.11725	3.1
125.09657	1.0
129.07013	2.3
131.08571	15.7
133.10118	11.6
133.78323	0.7
135.08061	1.0
135.11678	14.7
135.12633	0.9
137.09595	0.8
139.11188	1.5
141.63911	0.7
143.08562	2.9
145.10110	7.8
147.11684	5.7
149.09602	0.8
149.13254	27.0
151.11217	1.0
155.08597	1.6
157.10188	2.8
159.11678	13.1
161.13258	4.3
163.14790	1.3
169.10121	1.2
171.11699	1.6
173.13252	5.6
175.11205	1.1
175.14882	2.0
177.12749	5.2
181.10187	1.0
183.11658	0.8
185.13281	1.4
187.14896	2.7
195.13791	5.7
195.15413	0.8
197.13255	1.1
199.14874	1.5
201.16428	1.7
211.14819	1.0
213.14839	1.4
243.21169	0.9
256.26300	1.5
259.20883	0.8
261.22162	6.3
274.10382	0.8
275.19977	1.0
297.22186	0.9
315.23770	0.8
317.24741	3.1
320.10815	0.7
423.82425	0.8
437.33994	4.8
455.35049	1.3
485.92053	0.8
506.94214	0.7
511.37793	1.3
529.38910	100.0
530.39063	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	530.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01863	0.9
55.05498	1.1
55.37059	0.5
56.87481	0.5
57.03428	0.5
62.57600	0.5
65.03947	2.7
69.03423	1.7
69.11813	0.4
71.04987	0.5
73.90117	0.4
81.03421	6.3
81.07042	0.4
83.04995	1.1
85.02894	2.0
86.09727	0.7
93.07067	0.5
94.06393	0.5
96.02114	0.9
97.02894	4.2
97.30312	0.4
99.04469	0.9
99.48131	0.5
104.94483	0.4
107.01289	1.1
108.04526	0.5
109.02885	6.1
111.04452	1.0
123.04411	0.7
125.02343	1.2
126.03123	4.2
127.03906	1.1
139.03867	0.9
141.05473	4.4
145.04956	0.8
153.01837	0.8
156.63066	0.5
157.04970	8.8
159.11589	0.5
167.03395	100.0
168.03699	0.9
180.79663	0.4
181.04965	2.4
181.06332	0.5
185.04460	11.0
196.76636	0.5
209.11707	0.9
219.60794	0.5
223.09814	0.6
274.11182	0.4
283.15454	1.5
301.16437	0.7
311.07535	6.9
328.78885	0.6
329.08652	6.2
367.69385	0.5
467.68182	0.5
529.26038	0.5
530.20435	1.4
530.28009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46354	3.1
52.12077	2.6
53.03962	3.6
55.01867	15.6
55.05511	45.5
57.03438	30.3
57.07063	6.1
61.06107	2.5
65.03947	4.2
67.05164	5.4
67.05507	96.8
69.03432	3.9
69.07066	26.3
69.75784	5.7
71.01361	3.0
71.04995	6.2
73.02889	3.8
79.05492	58.6
81.03416	21.1
81.07056	100.0
82.04196	4.1
83.04977	14.6
83.08620	27.7
85.02898	3.0
85.06540	5.7
91.05487	42.3
93.07048	67.6
95.04961	19.8
95.08611	25.9
97.06526	14.9
97.10158	21.5
98.22717	4.1
105.07014	19.8
107.04949	7.8
107.08599	46.6
109.06511	5.2
109.10147	21.7
111.08086	8.7
116.04691	11.3
117.07037	14.3
119.08556	14.9
121.06487	4.0
121.10139	17.9
123.08081	5.6
123.11700	4.9
125.09590	14.1
129.05478	30.3
129.06992	3.4
131.08571	9.9
133.10109	20.8
135.08002	4.2
135.11690	12.0
143.07011	4.7
145.10130	7.6
147.11699	8.9
149.09608	3.0
149.13269	28.6
153.12677	3.5
157.08626	12.2
157.10016	3.2
159.11681	11.4
163.11183	9.0
171.06445	3.7
171.10139	4.8
173.09499	3.4
173.11771	5.8
177.12741	9.6
181.12311	4.0
189.11217	5.6
191.10654	3.9
193.12212	4.4
195.13817	22.0
199.13252	19.8
204.67902	2.8
209.11775	9.2
211.13251	4.8
213.14867	4.0
227.12759	11.4
229.14420	5.0
229.48978	2.6
267.15866	8.6
269.17484	79.2
283.15414	8.6
301.16501	64.6
393.25983	5.1
411.27292	5.2
423.27362	22.6
449.29077	3.7
461.28500	3.5
477.28528	6.3
478.29263	3.5
495.29526	64.4
530.35730	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	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14457	0.7
52.03164	0.8
53.03939	3.6
55.01861	2.9
55.05260	1.5
55.05510	21.0
57.03437	18.5
59.04992	1.8
64.29218	0.7
65.03937	1.7
67.05501	32.0
67.97367	0.6
69.03426	6.5
69.07068	9.8
71.04681	0.8
71.04991	7.5
79.05490	37.9
81.03414	90.2
81.07052	37.3
82.03782	1.1
83.04974	23.6
83.08617	27.2
83.78127	0.6
85.02901	34.2
85.06518	2.8
91.05477	42.5
93.07046	22.2
93.07622	0.5
95.04964	37.2
95.08603	14.6
96.41838	0.8
97.02883	4.8
97.06522	6.3
97.10164	5.4
99.04433	0.7
99.08085	1.4
103.05431	0.7
105.04476	2.1
105.07027	34.1
107.04949	9.1
107.08586	10.2
109.06522	6.1
109.10162	3.1
111.04420	3.2
111.08077	13.8
113.06000	2.6
115.05402	1.4
117.07003	2.0
119.04926	1.0
119.08574	26.9
121.06478	2.9
121.10147	12.0
123.08076	4.4
123.11696	2.5
125.09637	2.4
128.06174	1.1
129.06996	15.2
131.08560	15.9
133.06503	4.0
133.10126	14.6
137.09598	2.9
142.07764	2.8
145.10103	2.7
147.08038	5.1
147.11681	19.4
149.09599	8.0
157.10133	20.2
163.11142	1.3
165.12737	4.1
175.09657	1.1
175.11171	20.4
193.12231	67.1
194.12546	1.8
211.13283	100.0
212.13699	1.8
216.92010	0.9
249.14789	1.2
267.15900	26.2
276.60025	0.9
285.16953	92.7
286.17374	2.1
367.22675	0.9
385.23669	3.0
441.26340	1.0
459.27451	8.4
477.28580	13.2
495.29510	34.7
496.29691	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	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.01873	7.7
55.05512	40.6
57.03432	18.6
57.07077	3.0
59.05005	4.2
65.03937	3.6
67.05505	100.0
69.03437	1.9
69.07066	21.6
71.04996	5.9
73.02927	5.4
79.05493	46.5
79.05952	2.9
81.03424	12.8
81.07056	82.1
83.01284	1.6
83.04985	11.6
83.08616	22.4
85.02904	11.9
85.06539	6.4
87.04464	7.3
91.05480	32.5
93.07045	48.2
95.04451	2.4
95.04966	12.8
95.08613	24.1
97.02898	3.7
97.06532	9.1
97.10168	17.6
98.22721	4.9
99.08109	1.8
105.04536	2.8
105.07034	13.5
107.04973	3.8
107.08595	31.2
109.06516	4.1
109.10152	45.8
111.04439	3.2
111.08101	4.8
117.07021	10.2
119.08585	8.5
120.98272	1.5
121.06535	2.3
121.10151	11.6
123.08070	3.2
123.11730	5.1
125.09639	24.0
129.05510	9.4
129.06987	3.6
131.08566	10.7
133.10117	14.1
135.08052	1.7
135.11708	14.3
137.09610	3.8
143.10666	3.3
145.10129	5.8
147.08054	1.9
147.11688	5.1
149.09613	2.1
149.13254	15.4
153.12753	4.9
155.10664	4.3
157.10172	1.9
159.11687	7.5
162.19870	1.6
163.11221	8.6
165.12761	1.8
170.50778	1.9
173.09578	2.2
173.11736	17.5
177.12767	6.2
181.12178	2.7
191.10651	3.3
193.12231	4.0
195.13806	20.5
199.13268	11.0
209.11751	8.9
227.12836	8.1
229.14348	55.6
239.16463	4.3
240.17084	2.1
267.16016	3.6
269.17477	61.5
283.15369	3.6
301.16376	14.9
411.27396	6.0
423.27386	19.2
495.29459	19.3
513.30731	19.9
530.38831	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98267	2.5
53.03943	3.3
55.01884	3.1
55.05506	17.3
57.03437	17.9
65.03938	3.7
67.05506	26.9
68.03476	2.5
69.03429	4.6
69.07072	8.4
69.77515	7.5
71.05000	5.7
73.89384	2.3
79.05502	37.6
81.03416	73.7
81.07059	38.0
83.04993	17.0
83.08614	32.6
85.02902	33.1
85.06536	2.7
87.23022	2.5
91.05478	45.2
93.07043	28.8
95.04958	37.1
95.08583	14.7
97.02899	2.7
97.06521	6.4
97.10177	7.3
105.07020	33.0
107.04987	6.9
107.08600	10.3
109.06528	5.4
109.10163	7.1
111.04488	4.0
111.08093	14.0
113.05930	2.8
116.38482	2.8
117.07024	4.5
119.08555	33.3
121.10159	12.6
125.09624	3.9
129.06996	12.6
131.08545	14.2
133.06450	2.9
133.10114	16.8
135.08032	3.3
145.10112	3.3
147.08014	3.9
147.11682	21.0
149.09624	7.7
151.11194	2.9
157.10138	17.2
165.12744	4.7
175.11203	18.3
188.88762	2.3
193.12227	60.8
211.13283	93.8
234.40395	2.5
259.20551	3.9
267.15973	27.4
285.16965	100.0
286.17160	2.7
351.25391	5.6
397.86810	2.9
459.27454	15.3
477.28522	21.8
495.29489	76.1
499.35437	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	530.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79549	1.3
53.03932	3.2
55.01868	4.3
55.05512	21.6
57.03435	12.9
57.07084	4.6
59.05015	2.5
65.03942	3.3
67.05502	87.3
69.03412	1.5
69.07066	17.3
71.04990	18.6
79.05490	35.5
81.03413	10.2
81.07055	100.0
83.04977	8.1
83.08621	17.7
85.02924	3.9
85.06532	6.5
87.04467	3.7
91.05479	30.8
93.07047	44.9
94.07380	1.5
95.04963	7.4
95.08605	20.7
97.06528	13.1
97.10154	7.8
99.08089	3.4
104.10659	1.4
105.07027	15.1
107.04951	3.3
107.08595	31.4
109.06528	2.6
109.10149	22.4
111.08106	6.7
117.07031	8.2
119.08593	6.5
121.06527	2.9
121.10135	16.0
123.11703	10.5
125.09589	9.5
129.05481	2.5
129.07002	2.4
131.08586	10.3
133.10123	19.9
135.11711	11.6
139.11137	2.3
145.10155	3.2
147.11688	2.9
149.09660	1.9
149.13264	19.8
151.11198	5.3
153.12769	2.0
159.11653	12.6
163.11201	4.3
173.11774	7.5
177.12773	4.0
181.12294	2.5
183.13763	2.1
185.11674	1.9
185.13231	1.6
195.13770	12.0
199.13260	3.2
209.11673	2.4
227.12718	3.1
229.14357	23.4
229.29512	1.6
267.15964	2.4
269.17450	44.6
275.19955	1.8
276.20465	2.0
283.15427	1.8
301.16492	3.9
301.20099	12.9
308.73825	1.4
393.26016	2.0
404.81003	1.5
411.27487	2.2
423.27185	7.2
437.28925	47.6
437.34885	2.6
451.30469	8.9
463.30557	38.0
495.33575	24.1
513.30273	4.9
530.35791	2.5
536.54840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
54.18564	1.5
55.01871	3.5
55.05511	21.3
57.03432	11.6
57.07047	2.7
58.27739	1.5
60.90423	1.9
67.05503	76.3
67.05866	3.8
69.07070	14.2
71.04990	23.4
71.08620	1.7
73.54995	1.5
79.05489	36.4
81.03403	6.8
81.07055	100.0
83.04993	10.0
83.08624	14.4
85.02905	4.3
85.06541	8.6
87.04481	2.1
89.06023	2.1
91.05479	27.1
93.07044	42.8
95.04990	9.1
95.08608	20.7
97.06547	11.5
97.10162	3.9
99.08061	2.9
105.04491	1.6
105.07035	9.3
107.04967	2.3
107.08587	24.3
109.06519	2.8
109.10165	20.0
111.08072	5.8
117.07022	10.0
119.08570	4.4
120.64098	1.4
121.10118	11.7
123.11714	8.9
125.09606	6.3
129.05508	3.0
131.08556	9.9
133.10127	18.7
135.08057	3.2
135.11708	9.4
143.10822	1.6
145.10039	1.9
147.11678	1.8
149.13266	22.7
149.88353	1.5
151.11203	4.9
155.10701	1.8
159.11699	10.5
163.11197	4.2
173.11725	5.5
177.12759	5.5
187.13321	3.6
195.13820	11.4
199.13301	2.9
226.40408	1.8
229.14365	17.8
269.17456	44.9
301.16522	4.2
301.20050	17.1
383.92926	1.7
391.28970	1.7
423.27426	7.1
437.28940	66.3
438.29587	2.6
451.30557	12.8
463.30542	52.7
464.30133	2.0
495.33374	26.3
513.30249	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	531.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40442	0.2
55.05508	0.2
56.96554	1.5
57.03405	0.3
58.48701	0.3
59.04988	0.6
63.18723	0.2
64.51982	0.3
67.05500	1.2
71.04989	0.6
71.44967	0.3
77.00790	0.3
81.07078	0.3
81.88355	0.2
85.02905	0.8
87.04472	1.1
93.07034	0.6
97.51319	0.3
107.08581	0.4
109.10128	1.2
119.08591	0.4
120.35194	0.3
161.01117	0.2
173.11742	0.5
189.12701	0.6
190.02695	0.2
198.77072	0.2
213.00797	0.3
223.13101	0.2
229.14328	1.6
235.02956	0.3
247.02486	0.2
259.02658	0.4
261.04190	0.3
271.02716	0.4
277.03638	0.2
287.02274	0.5
289.03906	0.4
293.03445	0.3
303.01828	0.5
305.03326	0.7
315.01682	0.5
317.03586	0.2
325.00064	6.9
331.01300	0.2
333.02811	0.7
333.20529	0.3
335.09387	0.4
343.01218	15.4
351.03979	0.3
361.02280	100.0
362.02658	2.9
363.02802	0.4
366.02975	1.1
369.22549	0.6
379.03357	26.9
380.03723	0.6
384.03876	5.2
385.02490	0.8
391.78674	0.3
399.03857	8.0
400.04318	0.4
402.04895	0.7
403.03189	1.5
409.13202	0.3
411.04025	0.5
415.03079	0.7
417.04916	9.2
418.04752	0.9
427.03259	0.9
429.05130	0.9
440.06393	1.2
453.04721	1.6
471.05945	3.5
479.55157	0.3
489.06839	0.6
513.20197	0.3
529.10516	0.3
530.25970	1.5
531.18280	3.5
531.27203	8.3
537.81946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90524	5.2
55.01878	10.1
55.05507	30.5
57.03443	15.3
62.53645	4.9
67.05510	83.6
67.55359	5.1
68.05849	9.6
69.07069	26.3
71.05004	12.0
79.05515	56.6
81.03444	7.1
81.07063	100.0
83.04999	6.9
83.08629	14.6
85.06561	7.7
91.05487	62.1
93.07055	62.7
94.07389	8.7
95.04984	12.8
95.08620	33.9
97.06527	12.8
97.10202	7.2
105.07033	47.8
107.08615	52.4
109.10168	29.5
113.09702	5.3
117.07034	19.1
119.08595	47.5
120.34796	5.2
121.06455	4.7
121.10164	22.7
123.08102	6.1
123.11724	9.0
129.07033	13.3
131.08557	29.2
133.10167	33.6
135.11685	32.9
141.07021	6.9
143.08560	21.3
145.10133	37.1
147.11694	23.0
149.13274	19.0
155.08553	6.9
157.10178	20.1
159.11729	29.4
161.13239	18.1
163.11090	7.2
169.10172	11.9
171.11760	18.9
173.13322	12.8
181.12238	6.2
185.13248	19.3
187.14861	12.1
195.13811	7.0
197.13290	12.6
199.14795	9.2
200.70694	5.7
209.13286	7.3
211.14909	5.9
215.90350	6.2
241.19537	16.3
255.15868	29.2
259.20663	34.5
269.17505	8.0
270.17892	5.4
276.22464	5.5
322.62488	6.4
333.24243	12.2
396.44037	5.8
403.30167	6.6
409.31012	6.2
421.30945	16.1
431.09570	5.9
438.29477	13.0
439.32092	11.2
457.33304	11.0
464.30951	8.0
465.71997	5.5
496.33899	10.1
503.37292	17.1
513.35803	89.5
531.37085	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18698	0.4
53.03947	1.2
55.01876	1.1
55.05512	2.9
57.03435	10.7
57.07072	0.6
59.04983	0.4
61.02916	2.0
67.05518	0.5
69.03435	3.5
69.07064	0.4
71.01345	1.2
71.04991	66.5
73.02908	2.0
75.04482	5.0
77.03951	0.3
78.16817	0.3
79.05493	7.6
80.06143	0.4
81.03416	2.3
81.07060	0.9
83.04976	12.1
85.02902	100.0
85.06539	8.3
86.06077	0.4
87.04458	2.5
91.03922	0.6
91.05473	0.8
93.07042	1.3
95.04964	2.4
95.08582	0.5
97.02894	5.2
97.06535	0.7
98.39535	0.4
99.04459	2.9
101.06017	0.5
101.41466	0.4
103.03945	0.8
105.03391	10.4
105.04502	0.7
107.04955	0.4
107.08573	1.0
109.02867	1.6
109.06499	1.7
110.06108	0.3
111.04450	6.9
111.08038	0.5
113.05941	0.6
115.03898	0.4
119.08598	0.4
121.06497	1.3
123.04427	23.8
123.08056	1.3
125.05987	0.5
127.03904	6.0
129.05473	43.9
133.06494	0.5
135.08009	1.5
137.05940	0.6
139.07516	1.1
143.07027	0.4
145.04950	7.7
146.08226	0.4
147.06519	26.3
149.09560	1.1
151.07523	1.5
163.06003	2.9
164.09200	2.2
165.07527	0.8
165.08961	0.4
167.10646	1.5
169.08528	0.6
173.71544	0.4
177.09093	2.4
189.09103	2.6
195.10120	2.2
211.09575	0.8
213.11220	5.9
225.07585	1.0
229.10655	1.6
231.12216	0.8
233.08032	1.0
237.07506	0.9
255.08611	2.2
273.09665	1.7
285.09525	1.4
309.11743	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	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
54.29695	1.0
55.05511	11.4
55.22720	1.0
57.03446	6.6
57.07076	4.1
61.02917	5.5
61.73310	1.0
63.43368	0.9
65.03942	2.5
67.05505	70.1
69.03407	1.2
69.07067	13.5
70.38437	0.9
71.04987	2.1
73.02901	2.0
74.78857	0.9
75.04471	2.0
77.03950	0.9
79.05490	38.2
79.05952	2.0
81.03420	1.0
81.07054	80.8
83.04974	1.4
83.08618	8.2
85.02906	5.9
85.06541	2.9
91.03947	2.3
91.05472	19.6
93.07041	54.8
95.04990	3.7
95.08603	56.8
97.02864	2.5
97.06535	3.8
97.10178	3.8
99.08109	3.1
105.04508	1.4
105.07021	16.0
105.07644	1.4
107.08592	30.3
109.06513	1.0
109.10152	35.0
109.10894	2.0
110.13208	0.9
111.08077	2.6
113.09617	1.7
117.07000	8.5
119.08579	15.7
121.10139	32.3
123.11709	20.0
125.09612	1.2
131.08572	19.1
133.10127	15.1
133.42787	1.2
135.11696	28.9
137.09586	2.6
137.13240	6.4
139.11191	1.7
145.10129	14.3
147.11682	12.3
147.12724	1.3
149.13243	21.0
151.11168	2.3
151.14777	2.2
153.12758	1.1
159.11691	14.9
161.13252	10.4
163.14809	12.7
163.45103	0.9
165.12761	3.5
168.89821	0.8
173.13245	14.8
175.14836	3.7
177.16423	5.6
179.14302	2.8
187.14847	7.5
189.16479	1.5
191.14323	1.7
201.16365	3.0
205.15944	1.4
215.17992	1.5
233.22699	2.7
243.21082	30.2
261.22125	100.0
262.22391	1.6
263.23615	2.2
279.23206	4.0
317.24908	1.3
335.25784	27.4
353.26874	34.0
497.30783	2.3
532.38275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05510	10.8
57.03446	2.9
57.07073	4.1
58.10231	0.9
58.43373	0.9
61.02926	5.7
64.28455	1.0
65.03922	1.5
67.05500	60.7
69.03432	1.5
69.07065	11.6
69.18935	4.3
71.05004	1.3
71.08617	2.1
72.75629	1.0
73.02936	1.2
79.05492	36.3
81.07052	65.5
83.04980	1.8
83.08622	7.1
83.26733	0.9
85.02896	5.4
85.06548	2.8
91.03946	2.3
91.05478	19.7
92.86710	1.1
93.07044	46.7
94.19746	0.9
95.04974	2.9
95.08603	52.0
97.02893	2.4
97.06532	2.5
97.10184	2.8
99.08098	2.8
100.92983	1.1
105.04487	1.5
105.07037	16.9
107.08587	36.8
109.06493	2.0
109.10152	29.1
111.08093	1.7
111.11736	1.0
113.09663	1.9
117.07017	9.2
117.32029	1.0
119.08578	13.2
121.09269	1.9
121.10137	32.4
123.11718	15.0
123.58524	1.0
125.09627	1.3
131.08560	18.6
131.09485	1.8
133.10132	12.1
135.11693	29.1
137.09579	1.5
137.13242	4.5
139.11282	1.6
145.04997	1.1
145.10123	13.4
147.11671	11.9
149.13266	18.3
151.11118	1.7
151.14833	2.3
153.12741	1.2
159.11688	14.0
161.13248	11.6
163.14818	14.5
165.12737	1.4
173.13254	18.0
175.14819	3.8
177.12798	1.4
177.16397	5.3
179.14352	2.9
187.14821	10.6
201.16449	2.0
203.17772	1.1
205.15926	2.6
215.17920	1.7
229.30830	1.1
233.22713	3.4
238.06284	1.1
243.21057	32.6
261.22128	100.0
262.22574	2.5
263.23642	1.1
279.23196	2.9
288.47946	1.1
335.25729	16.5
353.26825	36.8
353.86713	1.2
470.32706	1.1
514.35876	1.2
529.81311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2362
Annotation	His Val Tyr Asp
Peak:m/z	Relative Intensity
69.46118	1.5
81.07048	0.5
85.02922	0.9
85.06562	0.3
89.96977	0.3
93.07034	0.5
98.23484	0.4
107.08625	0.5
112.27813	0.3
157.50551	0.3
173.13341	0.4
174.39227	0.3
233.81219	0.3
279.15756	0.5
288.74536	0.3
371.20889	0.5
394.05243	0.3
423.20105	0.9
504.74164	0.3
533.23535	100.0
534.23962	4.1
559.76776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.6
69.07096	0.6
71.44363	0.4
72.68996	0.4
81.07088	1.3
85.02935	0.5
91.05525	0.5
93.07089	0.5
95.08640	0.6
102.06855	0.4
105.07079	0.8
106.16942	0.5
109.59314	0.6
121.10163	0.8
135.11728	0.5
313.16205	1.6
317.08517	0.6
317.24756	0.6
335.09750	2.5
401.21478	0.7
445.20508	28.8
532.35608	1.3
533.25763	100.0
534.26025	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	533.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74876	0.7
55.75557	0.7
65.02090	0.7
70.48820	1.2
79.05499	0.9
81.07057	1.7
90.78614	0.7
93.33713	0.8
95.08643	0.9
99.89008	0.7
103.00565	0.8
167.27216	0.8
180.30722	0.9
188.15031	0.8
261.18259	17.4
295.22461	10.5
389.17731	1.8
402.18475	1.1
403.19110	1.1
417.16620	1.3
417.21295	1.1
419.22327	4.9
431.18561	2.7
445.20248	1.6
446.21069	4.3
447.21750	4.6
459.21869	1.6
533.25659	29.4
533.41797	100.0
534.25537	2.6
534.42285	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	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00989	0.2
60.82778	0.2
63.02393	0.4
69.03432	0.3
70.28864	0.3
70.61610	0.2
79.05482	0.9
81.03427	0.2
82.08202	0.2
85.02894	0.9
89.03931	3.3
94.84212	0.2
95.04968	0.4
97.02891	0.3
98.22941	0.5
107.04967	1.0
111.04446	0.5
117.03397	4.8
129.05466	0.2
130.15923	0.5
135.04428	10.8
145.02855	9.7
145.03853	0.3
160.04225	0.2
163.03912	100.0
164.04276	1.2
181.05139	0.2
193.07130	1.5
195.64572	0.2
223.13361	0.3
245.99834	0.3
355.10187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01874	1.0
57.03437	12.7
59.05008	0.6
61.02929	5.1
63.20536	0.4
65.03939	1.1
66.76345	0.4
67.05505	0.9
69.03062	0.9
69.03431	15.4
69.07072	1.0
69.50334	2.1
71.01350	1.6
71.04989	1.8
72.28268	0.4
73.02919	26.0
79.05508	0.6
81.03413	1.9
81.07044	1.5
83.04987	1.5
85.02906	27.4
85.06545	23.7
87.04463	1.8
87.08102	1.3
91.03932	1.5
91.05513	0.5
93.03465	0.4
93.07039	1.6
95.04971	1.5
95.08581	0.7
97.02895	25.8
97.06539	0.7
99.04456	1.9
102.90279	0.4
105.07020	1.0
107.04976	0.5
107.08592	0.6
109.02878	2.0
109.06519	1.9
109.10190	0.5
111.04436	1.0
113.06025	0.9
115.03931	18.7
119.08600	0.5
121.02871	50.3
121.06499	0.9
123.04415	0.8
123.08033	1.2
125.06115	0.5
127.03922	8.2
129.05519	0.7
133.04973	4.7
135.08086	1.1
139.03903	100.0
145.04953	12.3
147.08041	0.7
149.05862	0.5
151.07565	1.1
153.09055	0.6
163.06085	4.2
163.07402	0.9
181.08604	0.7
187.07570	0.6
193.04980	0.5
193.08614	0.9
196.68527	0.5
199.09680	1.4
202.72534	0.5
205.08585	2.2
211.09659	1.2
217.10713	1.6
223.06058	1.9
223.79536	0.4
229.10721	3.4
241.07101	1.9
247.11787	0.7
253.72156	0.4
259.08066	2.1
262.50446	0.4
295.10309	1.6
504.54761	0.6
513.39899	0.4
535.21204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.03426	5.5
60.24006	1.1
65.47984	1.1
67.05513	9.6
69.03419	2.3
69.07058	2.6
71.05002	43.5
75.04478	2.1
79.05497	5.6
81.07070	4.7
83.04990	9.2
83.08626	4.9
85.02913	37.1
85.06557	62.5
87.04504	1.2
88.08759	1.1
91.05505	6.7
93.07067	15.4
95.04964	3.8
95.08617	6.9
97.02923	1.9
97.06550	8.3
99.04469	1.8
105.07051	12.6
107.08609	38.0
109.06532	9.6
109.10172	6.2
111.04475	5.6
111.08093	12.1
117.07024	4.6
119.08584	5.9
121.06514	1.3
121.10165	25.0
123.08083	16.4
123.11697	3.8
127.03921	3.3
129.05493	23.9
131.08592	14.6
133.10149	16.5
135.08075	21.7
142.60423	1.3
143.08560	1.6
145.05014	2.8
145.10143	5.9
147.06538	15.8
147.11707	9.3
149.09641	3.8
149.13266	7.5
158.10962	3.4
165.07581	1.5
173.13290	33.5
191.14328	100.0
192.96486	1.1
215.14278	1.8
233.24069	1.2
241.15936	1.2
255.08801	2.6
266.50580	1.1
273.09851	5.5
283.16769	1.5
301.18091	1.6
309.11847	6.6
331.04895	2.6
337.19897	1.9
353.68347	1.2
361.02359	2.4
363.02716	1.8
364.02692	2.2
365.01657	2.4
431.18976	4.4
472.55246	1.2
475.09225	1.4
503.75281	1.2
534.29016	5.1
535.23779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01886	1.4
55.05514	4.8
57.03441	11.2
67.05514	4.7
69.03432	5.4
69.07075	4.2
71.04994	69.1
73.02921	2.7
75.04494	5.1
79.05505	2.8
81.03428	1.3
81.07066	5.8
83.04989	11.6
83.08627	1.8
85.02905	100.0
85.06520	1.7
87.04494	2.7
91.05502	3.6
93.07032	7.0
95.04977	2.7
95.08616	7.8
97.02905	2.9
97.06542	2.4
98.23508	2.7
99.04463	2.4
104.00818	1.2
105.07030	12.6
107.08591	10.3
109.02890	2.0
109.06546	2.4
109.10141	8.6
111.04453	8.9
115.03945	1.8
119.08556	9.8
121.06502	2.1
121.10123	12.0
123.11636	1.6
125.09607	2.7
127.03909	6.9
129.05482	37.9
129.06937	1.6
131.08595	9.5
133.10129	42.1
135.08083	2.5
135.11714	4.1
137.09612	3.2
139.11188	4.4
143.08583	2.7
145.04985	3.9
145.10120	6.0
147.06520	22.0
147.11693	9.7
149.09631	2.2
149.13332	1.7
150.55373	1.4
157.10121	2.5
158.10953	2.3
161.09654	3.1
161.13211	1.9
162.50632	1.3
163.11235	4.0
163.14795	2.1
164.09196	3.7
165.09100	2.3
173.09677	1.6
173.13260	23.3
175.11244	2.7
185.13431	1.9
187.14864	2.1
191.08563	38.9
191.14311	82.5
193.15906	3.1
199.14851	1.5
203.14264	2.5
207.13710	7.2
209.15353	9.7
213.12662	1.4
213.16383	2.9
215.14542	1.7
229.18336	1.7
231.17497	1.5
252.91592	1.6
255.08739	2.1
273.09793	1.6
283.20636	5.0
301.21637	23.8
309.11801	3.7
311.18552	5.9
319.19055	3.8
319.22610	22.1
337.20071	2.5
337.23700	3.4
355.21207	6.3
374.53784	1.5
534.16534	2.4
534.24335	2.9
535.24921	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	534.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01886	1.4
55.05514	4.8
57.03441	11.2
67.05514	4.7
69.03432	5.4
69.07075	4.2
71.04994	69.1
73.02921	2.7
75.04494	5.1
79.05505	2.8
81.03428	1.3
81.07066	5.8
83.04989	11.6
83.08627	1.8
85.02905	100.0
85.06520	1.7
87.04494	2.7
91.05502	3.6
93.07032	7.0
95.04977	2.7
95.08616	7.8
97.02905	2.9
97.06542	2.4
98.23508	2.7
99.04463	2.4
104.00818	1.2
105.07030	12.6
107.08591	10.3
109.02890	2.0
109.06546	2.4
109.10141	8.6
111.04453	8.9
115.03945	1.8
119.08556	9.8
121.06502	2.1
121.10123	12.0
123.11636	1.6
125.09607	2.7
127.03909	6.9
129.05482	37.9
129.06937	1.6
131.08595	9.5
133.10129	42.1
135.08083	2.5
135.11714	4.1
137.09612	3.2
139.11188	4.4
143.08583	2.7
145.04985	3.9
145.10120	6.0
147.06520	22.0
147.11693	9.7
149.09631	2.2
149.13332	1.7
150.55373	1.4
157.10121	2.5
158.10953	2.3
161.09654	3.1
161.13211	1.9
162.50632	1.3
163.11235	4.0
163.14795	2.1
164.09196	3.7
165.09100	2.3
173.09677	1.6
173.13260	23.3
175.11244	2.7
185.13431	1.9
187.14864	2.1
191.08563	38.9
191.14311	82.5
193.15906	3.1
199.14851	1.5
203.14264	2.5
207.13710	7.2
209.15353	9.7
213.12662	1.4
213.16383	2.9
215.14542	1.7
229.18336	1.7
231.17497	1.5
252.91592	1.6
255.08739	2.1
273.09793	1.6
283.20636	5.0
301.21637	23.8
309.11801	3.7
311.18552	5.9
319.19055	3.8
319.22610	22.1
337.20071	2.5
337.23700	3.4
355.21207	6.3
374.53784	1.5
534.16534	2.4
534.24335	2.9
535.24921	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	534.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	28.2
56.78824	2.1
57.03439	3.5
57.07051	1.8
62.61246	2.1
67.05515	10.0
67.70401	2.1
69.03424	5.6
69.07074	14.5
69.18372	10.7
71.05012	9.6
72.50153	2.0
75.39597	2.0
79.05502	8.6
80.26909	2.0
81.07065	32.9
83.04975	5.2
85.02908	8.9
91.05487	7.7
93.07054	33.9
93.20928	2.0
95.04992	3.2
95.08618	23.0
97.02904	3.1
97.06533	4.8
97.10186	52.6
98.23273	9.4
99.04440	3.5
105.07043	15.4
105.66019	2.0
107.08598	17.5
109.06548	3.8
109.10155	18.3
111.08064	2.3
111.11713	2.3
119.08595	13.3
121.10162	39.2
123.08096	5.0
123.11701	7.4
125.09654	13.6
131.08556	3.5
133.10150	12.3
135.08093	3.2
135.11700	9.2
137.09634	6.6
139.11208	5.7
143.10670	18.2
145.10153	8.7
147.11699	8.7
149.09634	2.0
149.13255	7.0
151.11226	2.7
153.12883	2.6
157.10214	2.9
159.11705	7.6
163.11198	6.2
165.12762	2.9
168.96561	2.0
173.13225	2.5
175.11235	5.3
175.14804	5.0
181.12259	6.8
187.14822	2.5
188.09918	2.0
189.11176	4.8
193.78326	1.9
195.13895	3.4
203.14478	3.3
203.21793	2.1
224.15768	2.3
237.14807	4.0
246.72897	2.3
273.22186	3.4
291.23117	2.3
293.21225	2.5
301.21680	18.5
319.22717	40.1
337.23764	100.0
355.24857	2.5
534.25555	8.9
535.21753	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	535.2676
Annotation	Antimycin A8a
Peak:m/z	Relative Intensity
66.97078	1.2
83.31589	1.4
167.05588	2.8
182.81213	1.4
184.53000	1.6
184.88396	1.7
197.60677	1.2
215.26416	1.3
241.16290	1.4
242.25891	1.7
266.99826	1.5
299.06198	5.0
398.91962	1.7
535.26904	100.0
536.27179	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	535.2883
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05508	0.5
57.03439	0.6
67.05504	1.2
69.07068	0.4
69.20934	0.8
73.04749	0.2
79.05496	0.9
81.03428	1.5
81.07056	1.4
82.34284	0.2
83.04992	0.5
83.08620	0.7
85.02903	2.0
91.05438	1.2
93.07042	0.7
95.04958	1.0
95.08604	0.4
97.06561	0.3
98.23460	0.3
98.43854	0.2
105.07017	1.0
107.04958	0.2
107.08572	0.4
109.06530	0.2
109.10171	0.3
111.08117	0.3
119.08562	0.8
121.10163	0.4
123.08073	0.2
129.07036	0.4
131.08595	0.6
133.10149	0.5
147.07970	0.2
147.11737	0.7
149.09587	0.2
157.10167	0.6
167.05542	0.3
175.11211	0.4
184.07361	0.9
193.12286	0.7
196.29591	0.2
211.13341	0.4
251.12550	7.2
267.39026	0.2
285.16986	0.6
299.06207	0.7
307.15161	6.5
308.15390	0.2
535.28772	100.0
536.29163	4.8
536.37067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14215	1.1
55.05511	2.2
57.03427	2.1
57.41476	1.4
67.05514	6.7
69.07028	1.5
75.85784	1.3
79.01626	3.0
79.05499	1.8
81.07051	5.6
83.08606	1.7
91.05429	2.1
93.07056	2.7
95.08638	1.5
105.07021	3.1
109.10150	2.4
139.03696	2.3
153.05215	2.7
158.88618	1.2
167.05540	2.7
195.09958	9.2
209.11493	3.6
223.13148	2.4
229.14394	1.6
235.13097	5.0
251.12634	7.0
263.16223	2.8
291.15640	6.6
299.06143	3.7
307.15179	3.4
322.17398	3.9
323.14752	7.3
379.20898	3.6
405.25879	4.9
406.26569	2.4
434.26556	11.6
463.26642	100.0
464.26801	3.9
489.28250	9.8
535.28668	28.6
535.35950	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	535.2881
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
50.08775	1.1
50.49599	0.9
55.05510	1.5
67.05505	1.4
69.25585	2.9
69.25991	3.2
79.01597	2.7
79.05476	1.2
81.07044	1.8
88.69493	1.2
92.02348	1.2
98.23452	1.8
105.90662	1.0
107.08617	0.9
109.10210	1.1
138.02881	2.9
138.75949	1.0
139.03676	6.3
153.05247	2.1
167.05554	2.4
185.20081	1.1
198.05119	1.3
211.05789	4.0
223.13164	4.3
225.07129	1.2
235.13049	7.9
267.12119	3.8
281.13736	3.5
291.15616	9.8
299.06210	3.8
307.15192	2.8
323.14664	3.1
344.97858	1.2
350.17035	4.1
363.17740	7.0
377.19446	1.2
391.20798	1.3
406.26956	1.9
412.05231	1.4
433.25333	2.0
434.26541	2.7
447.27304	1.1
475.26367	1.5
489.27881	2.1
517.27802	2.0
535.28754	100.0
536.28906	3.0
546.73608	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	535.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
57.03413	1.7
65.89048	1.5
67.05505	5.1
67.57515	1.3
69.92912	1.8
69.93254	4.2
71.04982	1.7
71.65363	1.5
72.20325	1.3
79.01611	4.4
79.05490	1.8
79.80932	1.5
81.07050	4.4
83.08662	1.4
91.05832	1.9
93.07005	3.2
95.08587	2.0
125.19985	1.5
126.38866	1.9
138.02893	4.0
139.03688	8.9
145.01102	1.9
153.05199	2.9
155.03178	2.0
163.54041	1.4
167.05550	3.4
190.13329	2.5
209.11565	2.6
211.05743	9.9
223.13048	9.0
235.13080	14.2
261.18512	1.9
267.12030	3.4
268.12991	1.6
281.13583	2.5
290.14810	3.0
290.31094	1.6
291.15649	4.2
295.15192	3.8
299.06174	5.9
307.15134	8.5
322.17691	3.5
323.14377	2.3
350.17004	7.9
363.17761	11.8
377.19122	1.6
391.20905	2.1
405.26324	3.7
406.26889	5.3
433.25647	5.1
434.26315	7.5
442.28583	2.0
463.26907	2.8
477.28629	2.3
489.28256	10.3
517.27576	4.1
535.28693	100.0
536.28925	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	535.2885
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
58.62026	0.8
65.13004	0.9
67.05508	1.5
76.84283	1.0
79.05495	1.3
81.03422	2.2
81.07072	1.9
83.08606	0.8
85.02915	1.6
93.07089	1.0
95.04973	1.1
98.23010	1.0
105.07046	1.2
111.72030	0.9
118.66476	1.1
119.08608	0.9
126.40171	1.0
143.73328	0.9
153.45045	0.8
167.05557	2.0
251.12575	13.9
287.12878	1.0
299.06055	5.0
307.15131	5.6
344.97528	1.1
517.27271	1.0
535.28827	100.0
536.29053	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	535.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.03440	0.5
59.37648	0.3
67.05506	2.9
69.07059	0.8
71.04990	1.7
71.05581	0.3
79.01633	0.3
79.05494	1.8
81.07063	3.5
83.04964	0.4
83.08604	0.6
87.55255	0.3
91.05416	1.4
93.07043	2.4
95.08627	0.8
97.06567	0.4
105.07043	0.8
107.08609	1.2
109.10169	0.6
111.08090	0.3
117.07032	0.7
121.10134	0.6
123.11693	0.5
126.03896	0.3
133.10162	1.2
135.11722	0.3
149.13246	1.2
153.05270	0.4
159.11717	0.6
167.05623	0.5
183.13782	0.3
195.10008	0.5
235.13039	3.1
251.12683	0.4
267.15720	4.7
269.17416	0.5
291.15668	3.2
292.58585	0.3
299.06250	1.0
301.20251	0.4
323.14828	0.5
323.18304	3.4
325.36292	0.3
405.26318	0.4
434.26453	0.9
463.26755	6.3
464.27798	0.3
489.28079	0.7
535.32440	100.0
536.32733	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45077	1.5
57.03445	11.9
61.02938	3.9
67.05486	2.9
69.03428	13.0
69.16193	11.1
70.07394	1.5
71.05007	3.9
73.02934	16.3
73.04762	4.4
79.05538	3.6
81.03446	1.6
81.07060	3.5
83.04982	4.2
85.02909	22.0
85.06543	2.7
87.04480	5.6
91.05408	2.1
93.06527	1.7
93.07063	4.7
95.04978	10.3
95.08605	3.0
96.52200	1.6
97.02919	15.4
99.04470	7.1
105.07036	4.7
107.08611	35.4
107.09332	1.9
109.06544	5.8
109.10141	1.6
115.03961	9.5
119.08581	1.8
121.02897	6.2
121.06510	2.9
121.10173	8.1
123.08080	86.3
123.11709	4.5
125.05990	3.9
125.09630	20.1
127.03914	5.9
131.08571	3.2
135.08098	2.5
139.03918	9.2
139.11264	3.0
140.04237	3.9
141.04379	2.8
145.04997	4.3
147.11682	3.2
149.09639	37.3
151.07552	3.9
157.83041	1.8
163.06036	3.2
165.09085	3.7
165.12814	3.0
167.05606	6.7
167.10698	13.4
173.09631	1.7
173.13271	2.1
183.13834	4.8
187.11201	3.6
189.12772	8.1
191.10719	2.8
201.12752	2.1
207.13802	12.3
211.17055	2.2
225.04239	1.8
225.14883	100.0
229.12288	2.8
241.07024	1.7
247.13411	8.2
249.14894	7.3
266.99973	2.1
283.02878	2.2
291.16077	2.2
299.06161	13.8
304.66504	1.9
333.16864	1.9
344.97702	3.4
351.18051	4.5
359.02975	1.8
375.46332	2.0
415.03668	3.0
536.21240	5.4
558.62067	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	536.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21235	1.8
51.61718	1.9
53.03942	3.5
55.05510	8.4
57.03443	18.1
57.07082	16.5
59.05023	2.4
61.02932	3.5
66.63709	2.1
67.05512	13.6
69.03450	14.9
69.07071	8.0
69.35733	10.1
71.04996	5.3
73.02930	37.3
73.04767	8.6
76.43130	2.1
79.05507	22.4
81.03426	4.4
81.07064	49.6
83.04985	19.6
83.08613	3.7
85.02920	27.8
85.06556	8.4
85.49055	1.8
87.04485	2.2
91.05415	6.0
91.05833	8.3
93.07051	18.2
94.45020	1.8
95.04968	12.9
95.08620	27.3
97.02903	24.4
97.06536	3.9
97.10193	2.4
105.07043	23.6
107.05033	1.9
107.08597	22.3
109.02877	3.9
109.06538	48.6
109.10167	11.3
111.04495	2.5
111.08099	5.1
111.94706	1.7
115.03956	20.2
117.07005	2.8
119.08589	39.3
121.06507	8.1
121.10155	34.0
123.04434	2.5
123.08086	46.1
123.11713	12.3
125.05997	11.9
125.09650	25.8
127.03923	10.7
131.08553	3.3
133.04977	6.1
133.06519	2.6
133.10139	13.3
135.08105	7.8
135.11688	3.1
137.09630	6.4
137.13268	3.6
139.07619	2.1
145.04980	8.1
145.10191	3.6
147.08066	3.6
147.11702	26.5
149.04515	5.0
149.09639	13.1
149.13300	2.0
150.07648	5.4
151.07571	9.9
151.11241	3.3
151.14822	3.1
156.09366	2.4
159.08061	2.5
159.11700	3.1
161.13272	33.9
163.06033	4.3
163.11166	8.6
163.14911	3.0
165.12752	2.7
167.05569	17.2
167.10640	3.1
171.11716	4.2
173.13420	2.5
174.10425	3.2
177.12720	12.7
179.14336	15.8
189.12744	19.9
189.16391	5.4
191.14330	4.6
192.14584	2.5
207.13818	100.0
207.17427	6.2
211.16972	2.1
225.04236	3.6
225.14899	14.6
241.07112	3.4
249.14923	2.8
259.08118	6.4
266.99854	3.6
283.03036	5.9
295.10260	6.7
299.06195	37.8
299.09283	3.5
321.17081	3.7
339.17911	3.6
344.97656	7.7
351.17929	2.7
359.02554	2.3
366.01852	4.3
369.19128	7.3
403.82404	1.9
415.03647	4.9
431.18948	5.2
432.19260	24.8
466.84943	2.1
536.27313	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	536.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.1
61.02937	1.6
65.52653	1.5
67.05504	2.7
69.03427	6.3
72.02196	1.5
73.02911	10.9
73.04764	4.5
81.07061	5.2
84.53082	1.5
85.02905	39.1
91.05447	2.2
91.05818	1.6
93.07018	2.1
95.08581	1.9
95.72607	1.4
97.02888	9.1
105.07015	8.5
107.08601	2.4
109.06529	1.9
109.10176	4.7
113.28037	1.6
115.03918	4.7
117.07028	1.9
119.08616	10.4
121.10158	6.0
123.08178	2.0
123.11704	39.4
125.06033	2.4
127.03891	2.8
130.07832	2.7
133.06523	6.0
134.83075	1.6
138.85323	1.5
145.04987	3.3
145.10153	14.5
147.11688	19.4
149.09610	3.9
151.07590	2.6
156.09412	2.0
163.06082	2.3
167.05579	2.9
170.91597	1.8
171.11653	5.6
189.12747	100.0
190.13184	1.7
207.13800	39.0
225.14870	13.5
259.08115	1.9
283.03101	2.0
299.06161	9.2
344.97537	2.3
414.07996	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	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01868	1.5
55.05494	1.7
57.03435	13.4
57.07076	2.2
59.04999	2.2
61.02926	6.8
67.05495	2.5
69.03424	16.9
69.07063	4.5
70.74454	2.1
71.01345	2.6
71.04977	4.0
73.02918	30.3
78.30403	1.1
79.05482	4.3
81.03423	2.5
81.07054	19.6
83.05000	2.9
83.08619	2.5
85.02905	21.2
85.06533	6.3
87.04478	1.8
91.05456	5.5
93.07030	4.1
95.04972	11.1
95.08597	7.3
97.02891	17.6
97.06513	8.7
97.79519	1.3
99.04454	3.3
101.06016	2.7
105.07035	15.0
107.08591	33.8
109.06522	18.4
109.10151	4.2
111.08089	4.5
111.11726	5.6
115.03935	11.4
119.08585	7.6
121.10150	17.2
123.08068	26.2
123.11710	4.8
125.05981	3.3
125.09623	7.0
127.03893	7.8
131.08553	5.8
133.04941	4.2
137.09612	2.6
137.13219	4.2
139.11162	2.7
141.09084	1.3
145.04967	5.3
145.10109	2.4
147.11685	18.5
149.09613	24.5
151.07559	16.9
156.09320	2.0
161.13292	2.2
163.06010	2.4
163.11171	2.4
165.12766	39.0
167.10684	12.0
171.11707	5.1
179.14294	12.2
183.13806	17.2
189.12723	14.9
207.13799	100.0
223.06117	1.6
225.14838	25.5
309.48822	1.5
396.40442	1.7
470.11496	1.1
513.73254	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	536.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17608	3.5
54.67704	4.1
55.05529	21.4
55.05750	4.0
57.03439	5.0
57.07085	6.0
60.60357	4.3
60.90771	3.9
67.05501	12.6
68.57326	3.5
69.03446	8.5
69.07076	26.0
71.04988	10.6
73.04757	22.3
79.05489	11.7
81.07066	48.3
85.02897	8.5
90.30706	4.5
91.05837	26.8
93.07042	33.7
93.86555	4.0
95.04993	8.0
95.08627	41.9
97.02846	4.1
97.06528	4.8
97.10173	32.6
98.22921	22.2
102.05304	3.6
105.07048	15.4
107.08582	29.8
109.10192	20.8
118.00626	3.6
119.08569	16.7
121.06477	4.6
121.10155	30.6
123.08105	5.2
123.11749	29.3
125.09649	7.9
129.07024	5.1
133.10136	12.9
135.11719	24.7
137.09663	5.8
137.13249	7.3
139.07538	4.5
139.11179	5.2
143.10645	5.1
145.10141	5.2
147.11708	16.0
149.02361	5.5
149.04485	6.7
153.12724	5.4
157.12305	6.0
159.11635	7.2
161.13281	8.9
163.11214	8.1
165.09148	5.0
166.21973	4.5
167.05583	39.2
187.13371	7.0
193.05287	5.0
193.10094	4.8
225.04344	10.6
239.09613	7.3
254.89137	4.1
257.22672	4.4
267.00003	7.3
275.23846	5.2
281.05167	4.9
283.03101	12.0
293.24713	10.0
299.06216	79.4
299.09341	3.2
300.06158	4.7
303.23224	55.8
321.24268	100.0
339.25311	43.5
344.97668	10.7
359.03018	5.9
375.21481	9.5
415.03561	8.0
503.10672	8.8
505.43164	5.1
537.26770	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	536.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05512	27.2
57.03424	2.2
57.07082	3.9
59.04974	0.9
60.44125	0.9
67.05506	7.2
69.03425	4.0
69.07067	15.9
69.75524	0.7
70.81540	1.4
71.04975	1.0
73.04764	2.6
79.05488	3.4
81.03461	1.0
81.07061	33.4
83.08639	5.6
85.02903	2.6
85.06538	2.6
91.05877	3.9
93.07040	10.1
95.04979	4.2
95.08611	23.4
97.06546	1.8
97.10174	56.0
99.08123	1.3
105.07028	8.1
107.08602	13.5
109.06536	3.1
109.10155	15.4
110.30003	0.7
111.11733	1.4
113.09672	0.9
117.07040	1.0
119.08567	9.4
121.10146	9.0
123.08094	3.0
123.11707	26.9
125.09639	13.0
127.11201	1.0
131.08542	1.8
133.10130	4.3
135.08070	1.9
135.11697	5.3
137.09654	2.0
137.13245	2.4
139.11243	1.8
139.39276	0.7
141.09106	4.9
143.10675	19.5
145.10100	3.8
147.11693	5.9
149.04486	0.7
149.09581	1.6
149.13264	8.8
151.07550	4.3
151.11177	0.9
151.14859	5.4
153.09171	0.9
155.10706	1.8
159.11737	4.8
161.13251	6.6
163.11148	1.3
163.14815	1.4
165.09082	1.0
165.12816	3.6
167.05559	6.1
167.10773	0.8
167.14363	3.8
171.10246	3.9
173.13255	1.4
175.14851	3.0
177.12744	4.5
179.14261	4.6
187.09616	1.0
187.14821	2.1
189.11185	6.6
193.12236	0.8
195.13828	2.6
201.16438	1.4
205.15877	2.5
211.14856	0.8
217.15973	0.9
219.17288	1.3
223.17044	1.6
225.04263	1.4
225.18439	3.0
229.15881	1.3
233.15392	1.7
237.18425	1.6
247.16962	2.6
251.16510	2.6
257.22501	1.9
265.18161	1.5
266.99860	1.3
267.20917	1.0
269.17392	3.9
272.82446	0.7
275.23657	3.1
283.02972	0.9
283.19022	1.7
285.22125	4.6
293.24756	1.1
299.06195	9.2
303.23160	20.0
321.24240	100.0
322.24356	1.4
339.25299	45.5
344.97556	2.2
359.03214	1.0
409.39771	0.8
415.03696	1.9
463.30093	0.8
493.66327	0.9
503.10699	1.0
514.55286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69572	0.5
55.05523	0.6
56.96577	0.7
57.03438	0.9
64.98213	0.5
67.05505	1.1
69.03416	0.7
69.07074	1.2
69.20975	1.2
69.21375	2.4
71.05002	3.0
73.02905	0.8
73.04768	0.7
73.25320	0.5
79.05499	0.6
81.07065	2.5
83.04937	0.5
83.08619	0.5
85.02919	3.3
85.06562	0.8
91.05846	1.4
91.83696	0.5
91.84274	0.5
93.07063	1.1
95.08609	1.9
97.02848	0.6
98.23223	2.5
105.07058	0.8
107.08604	2.6
109.06509	0.6
109.10146	0.9
111.08064	0.8
119.08572	0.5
121.10139	1.3
123.08086	1.3
123.11723	1.4
124.08416	0.6
125.09613	0.6
133.10118	1.0
134.10489	0.6
137.09654	0.6
147.11673	0.9
149.09619	0.8
167.05624	1.7
169.04802	0.7
187.14967	0.6
190.09464	0.5
214.06561	0.6
225.14864	1.2
226.15271	1.2
241.07512	0.7
243.14258	1.9
269.10129	1.7
278.27707	0.5
299.06396	1.0
300.06323	1.9
303.23032	0.6
321.24118	1.3
331.09973	1.5
375.21207	1.2
413.72357	0.5
415.15784	33.1
537.19440	100.0
537.26471	5.0
538.19824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	1.5
56.96565	27.6
67.05491	0.8
69.07074	0.8
71.44725	0.9
72.84792	0.8
73.04763	1.6
74.97624	0.7
77.54897	0.7
81.07066	1.4
84.96033	14.6
84.96507	1.4
85.02917	1.1
91.05779	2.3
93.07061	1.3
95.04932	0.6
95.08594	1.3
97.10159	0.9
97.96815	1.0
98.91999	0.9
98.97585	100.0
100.68337	0.8
100.72491	0.7
102.97080	1.5
110.55191	0.7
110.97565	24.4
112.99148	3.4
116.98626	36.8
124.99121	3.2
126.97057	1.7
128.98605	21.6
130.99268	0.8
131.00160	3.7
134.99657	7.9
140.00157	2.2
140.98579	7.1
142.99130	1.3
143.00165	16.5
144.98109	7.2
146.99637	8.4
149.01208	1.6
152.00179	1.2
152.98596	13.4
155.00107	2.2
158.98384	1.1
158.99666	21.2
161.01224	12.6
162.99165	6.4
165.00632	0.9
167.00063	1.3
167.05531	1.2
170.99648	12.5
173.01189	2.1
174.99014	1.1
176.99260	1.1
177.00720	17.4
179.02219	1.9
182.01263	1.3
182.99588	0.8
184.02654	0.9
185.01186	1.0
187.02832	1.1
189.00716	5.9
191.02243	1.1
194.01178	0.9
195.01648	2.4
196.46294	0.8
201.00674	5.6
203.02234	1.0
203.09517	1.1
205.11102	1.8
207.49089	0.7
209.01157	2.0
213.00615	1.5
219.01761	35.1
221.01181	1.1
227.02219	1.5
229.11079	3.7
237.02806	54.6
238.03186	1.2
239.02351	0.9
242.03249	1.7
247.12154	4.2
255.03821	3.7
260.04175	2.5
265.13086	0.9
271.12177	3.3
275.11441	1.3
283.11890	1.1
289.13162	1.0
299.05960	2.5
300.06012	2.8
331.14267	77.1
332.14581	1.5
349.15329	85.4
350.15289	2.3
367.16330	0.9
372.16946	8.0
375.20956	1.9
390.17676	1.0
391.16339	6.0
391.64719	0.8
403.16385	13.7
405.17499	2.4
417.17902	20.0
419.19803	3.5
433.16937	2.1
441.18018	7.3
459.19061	4.1
477.20068	33.2
495.21237	9.4
518.21887	1.0
537.21289	30.7
537.35712	1.4
538.22308	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	537.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82961	0.7
94.10445	0.2
129.02820	0.3
142.82765	0.2
167.05470	0.4
185.04236	0.3
203.05301	1.0
216.28203	0.3
259.07928	0.3
301.19766	0.3
345.45142	0.3
386.88562	0.2
537.30310	100.0
538.30713	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	537.3035
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
51.40298	0.2
51.71533	0.2
55.71019	0.2
69.68031	0.4
69.68401	0.4
71.25226	0.2
73.04739	0.2
91.05783	0.4
161.65268	0.2
167.05627	0.5
185.04265	0.5
219.56535	0.2
227.08611	0.2
242.73326	0.2
249.58853	0.2
299.06189	0.5
300.06268	0.5
301.20193	0.3
462.01364	0.2
489.39581	0.3
492.87231	0.2
537.30304	100.0
538.30646	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	537.3274
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
53.03936	1.4
55.05513	37.9
57.03433	2.2
57.07082	4.9
67.05511	8.8
69.03431	4.2
69.06710	1.3
69.07072	23.2
69.75299	2.7
69.75654	1.3
71.04986	2.0
71.08629	1.2
73.04748	1.5
75.10597	0.9
79.05491	6.1
81.03452	1.0
81.07058	37.6
83.04989	2.4
83.08611	6.4
85.02911	3.2
85.06126	0.7
85.06545	6.1
91.05480	3.3
93.07055	12.0
95.04968	4.0
95.08607	35.5
97.02915	1.0
97.06547	2.9
97.10172	100.0
98.10516	1.4
98.97585	1.0
99.04375	1.1
99.08094	2.4
101.06006	1.9
105.07035	9.3
107.08591	16.6
109.06545	2.4
109.10153	21.1
111.08090	1.8
111.11688	2.4
113.09653	1.6
119.08600	8.4
121.06565	1.3
121.10148	12.6
123.08086	3.8
123.11713	24.9
125.09630	22.5
125.10503	1.5
127.11186	1.1
129.07008	1.1
131.08600	2.6
133.10150	5.8
135.08086	1.7
135.11688	7.4
137.09648	2.9
137.13271	3.2
139.11179	6.7
141.09105	3.3
143.10680	35.9
144.11011	0.9
145.10141	3.7
145.50319	0.8
147.11691	7.8
149.04510	1.0
149.09663	1.5
149.13257	6.4
151.07484	4.0
151.11191	1.4
151.14812	6.9
153.09123	1.0
153.12813	1.4
155.10677	1.2
157.12241	2.9
159.11714	5.7
161.13248	6.9
163.11208	2.1
163.14813	2.7
165.09100	1.1
165.12738	5.2
167.05530	2.5
167.14310	3.1
169.08615	1.4
171.10179	6.7
171.11598	1.5
173.11899	1.1
173.13286	3.9
175.14856	2.6
177.12770	3.4
177.16370	1.0
179.14308	4.3
181.12250	1.0
187.09613	1.0
187.14865	2.7
189.11247	17.1
189.12827	1.9
189.16454	1.1
191.14447	2.0
193.15883	1.3
195.13818	2.1
199.15053	1.1
201.16373	1.6
203.17966	1.8
205.15825	2.1
207.13823	2.0
215.14328	1.1
219.17476	1.2
223.16982	1.3
223.95137	1.1
229.19391	1.0
233.15414	1.9
237.03027	1.1
237.18463	1.4
239.09622	1.1
247.16962	1.9
251.16431	2.9
255.03665	0.9
265.18106	1.1
269.17496	1.8
275.23749	2.9
277.21619	1.9
285.22119	1.8
291.23254	5.1
293.24802	1.7
295.23001	1.0
299.06201	4.3
300.06183	4.0
303.23157	19.2
309.24225	26.0
321.24252	89.0
322.24661	2.9
327.25281	3.9
339.25308	24.7
344.97589	1.4
349.15567	2.0
357.26434	1.9
375.21506	2.4
416.03876	1.6
493.27133	1.3
519.19446	1.0
537.18994	1.5
537.26941	17.1
538.27100	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	537.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01886	2.5
55.05514	20.1
56.96569	2.4
57.07078	5.9
59.82013	2.8
63.93343	2.3
67.05509	15.6
69.03439	9.5
69.07073	30.7
71.05004	11.9
73.02939	2.3
73.04752	5.0
77.02923	2.4
79.05508	12.2
81.03426	3.7
81.07064	67.3
83.05003	9.0
83.08604	6.3
84.96059	3.4
85.02905	17.7
85.06549	9.9
88.49660	2.4
91.05436	36.5
93.02153	2.5
93.07056	29.4
95.04999	15.1
95.08616	42.7
97.02901	3.4
97.06548	7.7
97.10173	35.4
98.97581	18.7
99.04477	2.9
99.08101	4.8
101.06017	3.6
105.07021	19.0
107.08610	22.0
109.06528	8.3
109.10174	23.6
110.09700	2.4
110.97619	5.0
111.08065	11.9
111.11744	11.9
116.98649	7.4
119.08596	15.1
121.06541	3.3
121.10151	30.4
123.08032	3.5
123.11729	58.6
125.09618	2.7
128.98700	2.8
129.05527	6.3
133.10141	10.9
135.08170	2.8
135.11705	19.5
137.09604	4.5
137.13286	9.1
139.11182	29.9
145.10179	8.1
147.11716	20.5
149.09727	3.2
149.13271	3.9
151.11137	2.9
153.12785	10.2
157.12253	24.7
158.99724	4.9
159.11752	9.1
161.13284	7.4
163.11232	9.3
165.12830	8.4
167.05573	12.2
169.12369	2.9
170.99722	2.9
173.13411	4.4
175.14963	2.9
177.12822	3.3
187.13322	4.9
191.10797	4.2
201.16489	2.7
203.12839	9.8
208.48277	2.7
209.04506	5.0
219.01875	8.1
233.15456	4.6
237.02870	9.2
251.16602	12.1
269.17560	5.0
275.23801	3.6
291.23254	10.3
299.06342	10.3
300.06253	14.2
303.23221	48.3
304.23553	3.3
309.24326	14.7
321.20444	4.2
321.24243	79.7
322.24811	3.7
331.14426	7.9
339.25348	27.0
349.15402	23.8
357.20407	9.6
357.26260	6.1
372.17090	3.3
375.21466	71.4
375.26074	4.8
403.16354	2.8
416.04120	3.8
417.17932	5.3
477.20151	9.0
495.21475	3.7
537.26898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	32.2
57.07067	2.7
58.72769	1.7
67.05511	7.5
69.03432	3.9
69.07071	15.0
69.78477	3.6
69.78831	3.6
71.05000	2.3
73.04763	3.2
79.05499	3.4
81.07056	29.8
83.04958	2.5
83.08612	3.9
85.02923	2.6
85.06512	3.1
85.64884	1.5
87.64011	1.6
91.05343	1.9
91.05806	7.2
93.07056	11.5
95.04977	5.8
95.08603	24.9
97.06554	2.8
97.10169	100.0
98.22655	3.0
99.04503	2.0
103.47778	1.8
105.07015	9.2
107.08582	9.8
109.06534	1.9
109.10143	14.2
117.07072	2.2
119.08601	9.3
121.10162	9.2
123.08089	4.4
123.11713	14.8
125.09617	21.3
131.08598	2.9
133.10135	6.2
135.11711	6.8
137.09637	1.6
139.11183	3.1
143.08572	1.9
143.10674	40.9
144.11020	1.8
145.10146	4.0
147.11722	6.5
149.13268	8.9
151.14836	3.1
153.12807	2.6
157.64224	1.5
159.11720	3.7
160.11615	1.7
161.13341	6.0
163.11235	2.8
165.12781	4.6
167.05551	9.1
171.10161	3.8
173.13292	2.9
187.14833	3.7
189.11186	19.1
191.14351	2.3
196.56252	1.7
240.09650	2.1
264.37061	1.8
267.21143	1.9
275.23779	2.3
285.21936	4.0
291.23245	4.3
299.06174	9.9
300.06119	9.5
303.23175	16.2
309.24231	12.6
321.24237	55.9
331.22464	3.7
339.25284	29.2
344.97803	2.0
357.20209	3.6
375.21384	40.8
410.20871	1.7
416.03842	1.8
493.27420	1.9
537.26849	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01873	0.9
55.05514	4.7
56.36264	0.8
57.03435	10.1
57.07067	0.8
59.04997	1.2
61.02916	1.4
61.25375	0.8
65.63058	0.8
67.05502	5.2
69.03425	2.0
69.07062	6.8
69.19704	3.4
71.04993	76.1
73.02935	1.8
75.04493	3.8
79.05486	2.9
81.03400	1.3
81.06628	1.3
81.07059	18.9
83.04975	6.5
83.08624	2.3
84.04531	0.8
85.02905	100.0
85.06540	1.1
87.04457	1.7
89.43976	0.8
91.05447	1.0
93.07038	8.5
95.08603	18.1
97.02908	4.2
97.06516	1.4
97.10159	6.1
99.04433	1.8
103.03928	1.0
105.07047	2.4
107.08590	10.4
109.10171	5.3
111.04453	4.0
111.08098	0.8
111.11765	1.3
113.27067	0.8
119.08561	2.2
121.10156	7.2
123.10875	1.2
123.11709	12.6
125.01556	1.4
127.03922	3.3
129.05478	45.8
133.10112	1.7
134.74608	0.7
135.11671	3.3
137.13258	5.3
139.11185	3.0
144.06543	0.8
145.04944	3.9
145.10107	1.0
146.08148	1.3
147.06520	22.6
147.11711	1.9
149.13261	10.5
157.12234	3.8
161.13243	1.1
162.07568	1.6
163.06065	1.1
163.14803	2.1
164.09187	8.7
164.11349	0.8
167.05521	0.8
180.08600	2.2
187.13301	2.6
189.16417	1.5
203.12733	4.0
235.17020	1.0
253.17790	0.8
269.22928	0.8
287.23627	1.6
299.06143	1.5
300.06036	1.0
301.06012	2.6
305.24722	20.8
323.25763	17.3
324.01831	1.0
341.26874	10.8
375.21277	1.9
376.21805	4.6
538.26825	6.3
539.27936	2.9
546.24072	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	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
61.02913	1.5
67.05515	1.1
69.03443	4.4
69.07055	1.0
69.18137	0.8
71.04994	1.6
73.02891	1.6
73.04742	1.1
77.29074	0.8
79.05508	1.8
80.38478	0.8
81.03399	2.0
81.07048	2.4
85.02909	11.9
91.03943	1.0
91.05447	1.1
94.04164	1.7
95.08612	1.5
97.02883	4.3
99.04483	1.2
103.05459	2.1
105.06998	1.2
107.08586	1.9
109.02825	0.9
109.06541	1.3
109.10159	2.9
111.04381	1.5
112.90479	0.8
115.05449	5.5
117.07026	1.5
119.08628	1.1
121.10116	1.0
122.03656	3.7
125.06052	1.1
127.03871	1.1
128.06262	1.4
129.06996	4.9
131.04935	3.0
137.05983	78.5
143.04932	10.7
145.04938	4.2
146.03545	1.3
151.07504	1.2
153.05455	3.3
157.06529	4.4
160.05217	14.7
161.05960	2.2
163.07547	2.5
163.14850	0.7
165.09167	1.3
167.05518	1.3
172.05180	2.7
174.06802	2.0
175.07549	100.0
176.07925	1.4
177.08972	1.0
180.08658	2.0
187.07544	35.7
189.09113	7.8
191.14268	0.9
195.08089	1.0
203.08606	1.5
205.08606	25.8
205.60973	0.8
207.13907	0.9
209.15382	2.9
211.07393	0.9
217.08652	3.9
219.08110	2.2
227.16559	1.0
231.08112	1.9
235.09653	25.5
247.07605	1.5
248.08327	1.5
251.10793	1.4
263.10706	3.0
270.08826	2.2
271.09753	4.3
276.08047	1.3
279.10199	2.7
279.13190	1.0
291.10159	5.6
299.06058	1.7
301.05905	1.2
311.12732	3.3
323.12802	6.8
341.13959	8.4
451.82816	0.9
477.45761	0.9
538.22394	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	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.5
55.01880	0.9
55.05522	0.5
57.03442	1.0
60.04533	0.4
61.02932	1.4
65.03937	0.6
68.02316	0.4
69.03429	2.0
69.07067	2.2
70.05755	0.8
70.06084	0.8
71.04997	0.7
73.02901	0.5
79.05511	0.6
81.03423	1.8
81.07053	0.9
83.08627	0.5
85.02903	7.4
91.05479	1.2
93.03419	0.8
93.07032	0.5
94.04186	1.9
95.04921	0.7
95.08616	0.4
97.02863	2.6
99.04427	0.9
100.11274	1.0
103.05470	1.8
107.04977	0.6
107.08632	1.0
109.02884	0.5
109.06516	1.3
111.04432	1.2
111.11752	1.2
115.05437	6.3
117.07018	1.5
119.08591	0.5
122.03644	4.3
125.06015	1.5
127.03907	1.9
128.06239	1.5
129.07001	5.3
131.04926	3.5
137.05972	81.8
138.06293	0.6
143.04916	10.5
143.06041	0.5
144.05692	1.1
145.04944	2.9
145.06483	1.7
145.38579	0.4
146.03641	0.5
147.04337	0.5
147.08081	0.5
149.06004	0.6
151.03897	0.8
151.07515	0.8
151.11192	0.5
153.05489	2.9
154.12271	0.6
157.06496	3.9
159.90175	0.4
160.05183	14.6
161.05949	2.6
163.06178	0.4
163.07567	1.8
172.03928	0.6
172.05193	2.5
173.06004	0.6
174.06744	1.8
175.07535	100.0
176.07919	0.8
177.05432	0.9
177.09120	0.7
179.07027	1.1
180.08667	1.5
184.07397	0.4
187.07532	31.7
188.08037	0.6
189.09102	8.0
191.14461	0.4
202.06180	0.4
203.08543	1.4
205.08598	21.9
206.08856	0.5
209.15387	3.0
210.14810	0.4
211.07629	1.0
217.08568	4.1
219.08052	1.2
220.08588	0.5
227.16408	0.6
231.08047	2.2
235.09622	22.7
236.09921	0.6
239.06960	1.2
240.07828	0.5
247.07520	1.2
248.08304	1.1
251.10577	0.9
255.06728	0.9
259.07516	1.3
261.64398	0.4
263.10580	1.5
270.08832	1.5
271.09607	3.7
276.07767	0.9
279.10007	2.0
283.09653	0.6
291.10156	6.2
308.10251	0.6
309.75806	0.4
311.12735	2.5
323.12762	5.6
339.42020	0.4
341.13821	7.2
427.92172	0.4
504.13736	0.5
506.19012	0.5
522.25134	0.4
538.40967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34748	0.6
53.03943	0.7
55.01870	0.9
57.03446	1.9
61.02932	2.1
65.03933	0.6
67.05511	1.1
69.03430	3.8
69.07066	1.2
70.61839	1.1
71.05016	1.1
71.29976	0.6
73.02933	1.4
79.05498	1.7
81.03426	2.7
81.07060	1.5
85.02913	13.1
87.04475	0.8
91.05475	1.5
94.04207	1.3
95.08660	1.0
97.02893	3.7
97.69252	0.7
103.05470	1.7
105.07079	1.1
107.04951	0.9
107.08616	2.0
109.06513	1.7
109.10171	2.5
111.04446	1.1
112.96625	0.6
115.03888	0.7
115.05457	5.7
117.07053	1.6
122.03644	3.1
125.06001	1.3
127.03930	3.0
128.06186	1.4
129.07007	4.8
131.04950	3.9
137.05994	76.7
137.09544	1.3
141.79131	0.7
143.04939	10.1
144.05659	1.8
145.04977	3.0
145.06430	1.4
151.03908	1.0
153.05467	2.5
157.06496	5.2
160.05222	15.5
161.05981	2.3
163.07564	2.1
167.05576	1.0
172.05258	2.0
174.06723	1.3
175.07564	100.0
176.07988	1.6
177.09142	0.9
179.14322	1.1
180.08710	1.9
187.07556	30.9
187.09262	1.5
189.09100	6.8
191.14374	1.5
195.08154	1.2
205.08627	22.7
209.15373	5.2
211.07610	1.4
217.08548	4.4
219.08107	1.6
227.16385	1.5
231.08116	1.5
235.09674	25.1
239.07095	1.4
247.07497	0.9
248.08220	1.8
251.10712	1.6
255.06558	0.8
259.07733	0.8
263.10703	1.4
270.08829	1.7
271.09769	3.7
276.07944	1.3
279.10193	1.3
291.10260	4.5
301.05899	1.1
308.10901	0.8
311.12878	3.5
323.12823	6.1
341.13943	7.7
456.81909	0.9
522.22864	0.6
538.24890	2.5
564.28888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23642	1.1
55.01867	1.3
55.05511	2.9
57.03428	3.7
59.04996	1.8
61.66504	1.0
67.05506	2.9
69.03430	2.6
69.07063	7.4
69.45551	3.7
71.04998	2.5
73.02924	5.2
73.04748	1.7
79.05493	14.6
81.03407	1.7
81.07056	20.0
85.02913	7.0
91.05487	3.5
93.07053	9.8
95.05001	1.5
95.08607	9.2
97.02890	5.2
97.06518	4.4
99.04464	2.7
105.07031	5.6
107.08598	56.9
109.06516	3.4
109.10156	7.7
111.08105	1.3
111.11717	2.9
115.03944	3.9
119.08599	5.4
121.06454	1.1
121.10144	18.1
123.08042	2.6
125.09644	3.1
126.63597	1.0
127.03925	1.9
131.08537	2.0
133.10149	5.2
135.11694	6.0
137.05986	1.5
139.11180	1.6
145.04956	2.1
145.10208	1.2
147.08060	1.1
147.11743	1.8
161.13271	14.6
163.05998	1.4
163.11192	1.5
163.14862	5.5
167.03461	1.8
173.13225	3.6
179.14313	100.0
191.14331	16.3
193.15903	3.4
209.15378	34.7
227.16379	3.4
259.08099	2.0
279.36163	1.2
295.10281	1.9
299.06152	2.2
305.17410	1.5
323.18600	3.4
354.23444	1.1
539.59296	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	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01862	1.2
55.05490	1.1
57.03437	5.8
57.07068	0.9
59.05022	1.2
61.02911	2.0
65.03925	0.6
67.05486	1.7
69.03430	7.1
69.07063	4.3
69.19947	3.4
71.01354	0.7
71.04993	8.9
73.02542	0.9
73.02917	13.9
74.63422	0.6
79.05499	1.6
81.03432	0.5
81.07061	6.2
83.04963	1.1
83.08621	3.0
85.02911	12.7
85.06536	2.1
91.05481	1.8
93.07044	4.6
95.04963	10.9
95.08604	5.8
97.02897	11.7
97.06521	4.6
98.23414	1.3
99.04458	10.2
99.08076	1.2
103.03937	0.6
105.07026	5.9
107.08598	11.8
109.02920	1.3
109.06516	3.1
109.10158	11.2
111.08100	1.0
115.03920	6.2
115.07569	1.7
119.08607	1.7
121.02876	1.1
121.10136	8.0
123.11705	8.0
125.09615	1.7
127.03916	2.5
131.08560	5.6
133.04950	1.6
133.10129	49.2
134.10493	0.6
135.08058	6.2
135.11685	2.4
137.09625	0.6
139.03899	4.0
139.11171	8.8
143.08496	0.6
145.04916	3.0
145.10127	1.5
147.04390	1.1
147.11661	2.2
149.09598	1.9
149.13249	4.3
151.11189	2.0
153.01807	1.1
153.09117	4.1
156.86972	0.5
157.12311	0.8
158.10892	2.2
163.14818	5.1
165.12593	0.6
167.05571	1.1
167.14345	0.7
171.11598	0.5
173.13260	16.4
191.14302	38.5
192.14552	1.3
197.08104	6.0
209.15358	100.0
210.15715	2.1
223.06151	0.6
225.27008	0.6
227.16431	7.3
241.07121	0.7
259.08087	1.0
273.03848	0.6
278.45068	0.6
298.02661	0.5
299.06235	1.6
301.05780	1.2
539.13470	1.1
561.02722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05519	1.9
57.03430	6.2
58.27224	1.4
59.05005	2.9
67.05505	2.4
69.03442	9.7
69.07063	6.0
69.80429	5.2
71.01358	1.9
71.04990	16.1
73.02914	14.9
73.04745	2.3
79.05487	4.6
81.03415	1.7
81.07047	12.1
85.02901	22.2
85.06526	4.1
91.05409	3.0
93.07027	5.1
95.04974	19.1
95.08611	9.7
97.02902	15.0
97.06525	11.3
98.23386	3.2
99.04449	14.4
99.08131	2.4
105.07030	10.8
107.08585	20.3
109.06509	5.2
109.10168	4.3
112.07471	1.5
115.03915	9.3
115.07595	11.6
119.08594	3.8
121.10162	11.7
123.08054	2.9
123.11691	16.0
125.09660	6.4
127.03932	4.2
131.08559	9.2
133.10130	100.0
134.10370	1.5
135.08051	7.0
135.11703	3.9
139.11163	15.0
141.42006	1.5
143.08621	2.0
145.04922	2.7
145.10101	4.4
147.11690	5.8
149.09657	3.7
149.13257	6.0
150.85004	1.6
151.11188	3.0
153.09114	7.8
163.14856	9.0
167.05524	3.0
167.14297	1.4
173.13260	26.9
189.12766	6.1
190.13100	6.4
191.14354	31.4
191.15977	3.3
207.13837	2.1
208.14194	2.1
209.15376	89.9
210.15779	1.5
225.14960	1.6
226.15222	2.1
227.16406	65.0
299.06189	2.7
301.05884	3.8
371.20233	1.9
503.24640	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.7
55.51208	3.8
57.07083	6.2
59.87775	3.6
66.61997	3.9
67.05506	22.5
69.03441	6.1
69.07066	31.3
71.04992	17.1
73.02917	6.4
73.04770	6.1
78.90260	3.5
79.05502	15.3
81.03426	3.8
81.07060	75.3
83.08623	14.7
85.02914	23.5
85.06577	6.0
91.05830	10.5
93.07051	51.0
95.04977	7.3
95.08612	70.3
95.25603	4.5
97.10177	51.5
99.08142	4.6
105.07033	12.5
107.08601	43.7
109.10159	25.2
111.08073	10.9
111.11732	5.6
119.08604	16.7
120.04485	10.0
121.10166	29.1
123.08099	8.8
123.11703	36.8
125.09648	14.4
129.05475	10.8
133.10170	12.8
135.11714	17.9
137.13252	13.1
139.11131	8.6
143.10719	21.1
145.10112	5.5
147.11736	10.8
149.13254	50.6
150.04854	4.3
151.11209	6.2
153.12759	5.8
157.12276	9.9
161.13284	7.2
163.14813	6.3
166.08688	4.4
167.05519	8.7
173.93291	3.8
175.14903	6.0
180.52948	3.9
185.11702	4.9
189.11240	6.0
189.16440	5.1
197.13257	4.5
203.12749	9.9
249.18613	6.6
269.22894	4.2
287.23715	5.4
291.19559	4.9
299.06183	12.8
301.06030	19.5
305.24741	93.5
323.25815	100.0
341.26865	47.3
357.93036	4.4
359.27780	7.9
376.21716	16.0
377.23096	37.1
417.03445	5.3
538.26611	38.9
539.10321	6.6
539.28229	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79404	1.5
55.01869	2.6
55.05503	10.3
57.03431	2.3
57.07067	6.4
67.05507	12.5
69.03436	3.9
69.07073	25.5
71.04982	2.2
72.51851	1.8
73.04760	3.0
74.52805	2.0
79.05494	5.2
81.07056	65.8
83.04963	4.5
83.08611	5.0
85.02904	2.4
85.06561	9.4
90.07315	2.0
91.05781	5.9
93.07054	12.2
95.08596	25.2
97.02888	1.9
97.06516	4.3
97.10164	23.5
98.22623	4.0
105.07030	7.7
106.95654	2.0
107.08595	20.9
109.10143	13.9
110.50336	1.7
111.11713	9.4
119.08588	6.2
121.10119	13.0
123.07972	2.4
123.11704	100.0
126.96382	2.0
133.10139	3.6
135.11696	4.9
137.13255	12.1
139.11180	17.5
147.11716	4.0
149.13277	15.4
155.14291	3.8
157.12265	14.7
161.13225	2.7
163.14876	2.3
167.05556	3.7
175.14810	2.6
178.81039	2.0
203.12709	12.7
221.18861	2.3
239.20087	5.7
245.66051	1.9
253.21539	5.4
278.55576	2.1
287.23724	3.4
293.24738	10.2
299.06186	3.3
300.06299	2.8
301.05875	4.7
305.24731	43.4
311.25735	11.7
323.25797	84.0
324.26099	2.2
341.26907	24.5
346.97586	3.2
353.50287	2.0
377.22940	4.3
539.27966	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	538.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05507	10.2
55.99091	0.6
57.03440	11.7
57.07079	3.3
59.05014	0.9
61.02936	0.9
62.69711	0.7
67.05501	12.6
69.03430	3.4
69.07067	21.4
69.64876	3.0
71.01341	1.1
71.04993	78.8
71.08614	1.1
72.57948	0.7
73.02903	2.2
73.06512	0.9
73.64987	0.8
75.04469	3.4
75.82458	0.7
79.05487	6.6
81.03429	0.8
81.07055	51.0
82.07378	1.1
83.04974	8.7
83.08626	4.8
85.02903	100.0
85.06548	3.1
86.03217	1.1
87.04475	2.2
91.05481	3.2
93.07043	20.7
95.04974	2.3
95.08606	48.6
97.02888	4.5
97.06531	3.4
97.10172	13.0
99.04484	1.3
99.08064	0.8
103.03923	0.9
105.07022	6.4
107.08591	24.7
109.06521	2.1
109.10152	11.0
111.04437	3.0
111.08086	1.9
111.11721	5.0
119.08572	4.4
121.10143	16.8
123.08073	1.4
123.11709	32.8
125.01558	1.4
127.03928	3.0
129.05481	40.8
130.05740	0.9
133.10129	4.5
135.11688	9.9
137.13249	14.6
139.11169	9.2
141.12732	1.2
144.06618	1.1
145.04973	2.6
145.10085	1.7
146.08109	1.3
147.06531	19.0
147.11693	4.0
149.13249	25.1
151.11183	1.9
151.14862	0.9
153.12756	3.0
157.12225	9.3
159.11719	1.7
161.13248	3.1
163.05983	1.5
163.14807	4.5
164.09181	7.5
165.12764	1.4
167.06209	1.7
169.12206	1.6
171.13847	1.4
175.14836	1.6
177.16415	1.6
180.08705	2.2
185.11705	1.0
187.13290	4.8
197.15446	0.9
203.12752	9.1
203.18063	1.1
209.15208	0.9
231.17389	0.8
233.19093	1.0
237.18541	1.7
245.19046	0.8
249.18367	1.4
253.18060	0.9
255.08876	1.2
269.22729	1.6
277.25330	3.2
287.23703	2.8
301.06204	1.0
305.24738	49.0
306.25098	1.8
323.25803	48.6
324.26144	1.2
341.26865	31.7
341.54718	0.9
359.27960	4.5
436.59070	1.0
539.28186	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	539.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15372	2.1
54.23731	2.3
55.05510	2.4
57.84818	2.2
69.07082	2.9
79.05520	2.4
81.07079	6.9
95.08599	6.4
95.45504	2.3
98.22618	4.4
107.08630	2.4
121.10121	2.5
125.09702	2.7
137.05974	2.1
206.03279	2.4
233.07286	2.3
241.15085	2.5
353.26648	3.9
359.21924	4.4
363.21683	2.6
377.23010	69.9
378.23254	3.0
393.18829	5.9
405.93335	2.6
521.30408	8.6
534.64532	2.9
539.27826	100.0
540.28040	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	539.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
67.05501	2.5
67.06146	0.6
69.07069	2.7
69.60818	2.7
71.04998	0.8
73.04761	0.7
75.52023	0.6
79.05498	1.0
81.07076	5.7
83.08656	0.8
85.06568	0.8
91.05515	1.0
93.07042	2.6
95.08604	5.5
97.10197	1.5
105.07061	1.2
107.08604	2.7
109.10161	3.0
117.05524	0.9
119.08620	0.9
121.10167	2.4
123.11737	2.7
124.01748	0.7
124.06631	0.6
135.11693	1.5
145.10118	0.9
149.13271	1.5
187.13333	1.2
193.55573	0.7
194.10785	0.9
237.18610	1.5
243.08060	0.7
293.24554	0.8
293.44861	0.7
297.94400	0.7
300.06390	0.9
305.24612	3.2
315.22934	6.2
323.25818	2.5
359.21936	6.4
359.28323	1.1
377.23022	48.4
378.23325	1.2
539.28265	100.0
540.28418	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	539.3431
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.62627	1.1
51.34367	1.2
52.75047	1.2
53.03934	1.4
55.01872	2.8
55.05512	22.3
57.03440	2.5
57.07082	6.9
60.05442	1.3
67.05165	1.6
67.05504	26.7
69.03426	3.5
69.06712	2.4
69.07069	35.5
69.80588	2.5
71.04987	6.8
71.08639	2.4
79.05490	13.8
81.07058	100.0
82.07423	1.2
83.04987	1.7
83.08627	12.8
85.02913	6.7
85.06545	10.5
86.49081	1.2
91.05489	7.7
93.07045	40.7
95.04959	3.4
95.08609	83.0
96.08958	1.4
97.06542	6.8
97.10173	32.9
99.08088	4.9
101.05989	1.4
105.07046	10.6
107.08599	44.4
109.06506	3.3
109.10156	30.3
110.09668	1.6
111.08088	14.5
111.11732	12.0
113.09657	1.4
119.08598	10.5
121.10143	27.6
123.08128	2.0
123.11707	69.7
125.09632	4.9
125.13203	1.3
131.08578	2.3
133.10167	7.9
135.11697	13.7
137.09592	1.2
137.13251	30.0
139.11188	19.5
141.12727	4.4
143.10693	6.2
145.10080	1.7
147.11700	8.1
149.13263	44.7
151.11189	4.3
151.14832	1.9
153.12740	4.6
155.14323	6.6
157.12247	22.8
159.11708	3.4
160.15350	1.2
161.13248	6.4
163.14792	9.8
165.12766	3.2
167.10732	2.1
167.14299	3.6
169.12251	5.7
171.13780	1.5
173.13278	2.0
175.14818	2.5
177.12759	1.4
177.16405	3.2
179.14388	2.2
183.13745	1.4
185.11760	3.4
187.13297	19.9
187.14818	2.5
189.11237	1.9
189.16353	1.8
195.13864	1.3
203.12755	13.4
203.14459	2.1
203.17899	1.7
209.15350	2.5
213.16458	3.0
217.10806	1.4
221.15327	1.2
223.16951	1.9
233.19089	1.4
235.20517	2.4
237.18385	3.0
241.76369	1.2
247.11902	1.2
249.18478	2.0
253.17931	2.2
253.21561	3.2
257.22681	1.4
269.22479	1.5
275.23743	3.7
277.25378	6.3
287.23755	4.7
293.24741	16.3
305.24744	77.1
306.25073	3.8
311.25946	6.5
323.25818	59.9
324.26343	1.4
329.26736	5.3
341.05276	1.3
341.26813	6.7
359.21985	4.6
359.27884	10.9
377.22870	5.4
401.14270	8.2
406.04767	1.3
419.15216	17.7
507.19891	2.3
539.17224	16.2
539.28229	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	539.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.9
56.96563	4.0
57.03439	3.3
57.07074	5.6
59.14159	2.6
62.11101	2.0
65.03924	2.4
67.05499	30.4
69.03430	6.2
69.07066	36.1
73.02937	2.0
75.81387	2.7
79.05490	22.8
81.03411	3.3
81.07053	100.0
83.04984	2.9
83.08620	16.1
85.02890	7.5
85.06546	20.4
87.04452	2.9
91.05462	15.8
93.07041	62.2
93.07611	5.1
95.04977	5.3
95.08607	77.3
96.08196	2.5
96.08920	3.0
97.06544	9.5
97.10160	22.6
99.08095	11.9
105.07016	18.6
107.08590	70.0
109.06525	6.6
109.10154	55.2
111.08076	17.2
111.11705	6.6
119.04904	2.8
119.08589	15.6
121.06506	3.5
121.10147	36.7
123.08067	7.1
123.11712	40.4
125.09637	6.7
127.03838	2.9
129.05449	3.1
131.04922	2.6
133.10124	16.7
133.10985	3.0
135.11705	25.5
137.05991	25.1
137.09642	5.4
137.13272	22.7
139.11163	7.7
143.10670	6.9
145.04881	3.4
145.10153	3.5
147.11693	11.4
149.09615	5.7
149.13258	60.8
149.39575	2.5
151.07561	9.2
151.11180	7.3
151.14867	3.4
153.12761	8.2
155.10677	3.1
159.11707	3.7
161.05983	10.1
161.13232	11.6
163.11223	5.4
163.14850	20.9
166.08598	4.8
167.14310	7.8
169.05214	2.8
169.12270	3.2
172.03967	4.7
173.13231	3.5
175.07574	8.2
175.14786	11.5
177.16386	2.5
179.14383	4.3
181.15845	6.8
187.13342	4.1
189.09062	4.8
189.11275	3.0
189.16443	4.3
191.14345	8.0
192.14816	2.4
195.10144	5.5
195.13794	5.2
204.06622	6.9
209.15335	27.3
223.16898	7.2
227.16391	28.3
231.21059	3.2
235.16931	4.6
249.18503	10.0
269.22662	3.8
275.23730	5.3
287.23703	10.9
291.18512	2.5
293.24808	9.8
297.11298	4.7
305.24731	67.3
311.12912	4.2
311.25684	12.8
323.25812	61.5
325.11444	5.5
329.26764	2.9
331.17505	3.1
337.14227	4.2
341.26971	21.4
355.15408	6.6
359.27890	7.4
367.15356	3.7
539.15948	21.5
539.29028	19.9
540.16217	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	540.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.7
57.03445	9.4
62.05473	1.3
62.49847	1.3
69.03446	1.9
69.07085	1.9
71.04998	74.1
72.05359	1.6
73.02923	1.8
75.04489	3.7
81.03425	1.5
81.07063	6.2
83.04991	5.3
83.08633	1.7
84.26633	1.5
85.02914	100.0
87.04475	1.6
95.08602	2.2
97.02914	6.0
105.07017	3.4
107.08610	2.9
109.10191	1.8
111.04463	6.4
112.49730	1.4
121.10182	2.6
123.11758	2.4
127.03937	3.5
129.05487	51.6
135.11751	2.1
145.04973	3.5
145.10136	3.2
146.08151	2.7
147.06520	21.3
153.06912	1.6
162.07573	2.0
163.11156	2.7
164.09241	5.8
171.08040	1.7
176.33961	1.6
180.08757	1.8
187.14790	2.4
203.46797	2.1
215.07100	4.0
224.85646	1.7
233.15460	2.0
313.50888	1.5
377.23056	2.2
378.23477	7.7
379.24701	2.9
383.88660	1.5
409.05612	14.9
474.47412	1.8
522.30676	2.0
540.28625	17.1
541.20178	2.0
541.29517	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	540.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02408	0.2
55.05511	0.3
57.03438	0.6
57.10244	0.3
61.02927	0.7
67.05499	0.4
69.03427	1.3
69.07077	0.7
69.34597	0.2
69.78308	0.9
73.02914	0.4
74.69305	0.2
76.10368	0.3
81.03410	0.8
81.07079	0.3
83.99467	0.2
85.02917	4.1
91.05467	1.5
93.07049	0.4
95.04978	0.6
95.08618	0.9
97.02894	1.8
103.05491	0.3
105.07020	0.3
107.08617	0.5
109.02882	0.6
109.10157	1.0
115.05487	1.1
117.07021	0.4
119.08607	0.5
121.10182	0.4
122.03616	0.5
123.04437	0.7
123.08105	0.3
127.03929	0.6
128.06219	1.2
129.07016	7.1
131.04922	1.0
131.08572	6.9
133.04913	0.3
133.10135	0.4
135.11667	0.8
137.05991	3.8
141.06996	4.9
143.04913	0.3
143.08559	0.5
144.05701	0.8
145.04968	0.8
145.06508	0.6
146.07292	0.6
151.07552	1.2
153.05502	0.7
157.06506	5.3
158.07292	2.2
159.08070	5.7
160.05226	1.0
161.05977	0.7
161.09619	0.7
163.07574	0.7
169.06500	3.2
169.07745	0.4
170.07306	1.0
171.08040	0.4
173.05870	0.4
173.09625	0.3
174.06781	13.1
175.07556	3.1
175.14867	1.1
177.05630	0.3
180.08713	0.3
181.12210	0.3
186.06775	3.7
187.07532	0.6
188.08327	0.7
189.09122	24.1
191.10692	2.1
193.15926	2.1
201.09117	9.1
207.10190	0.9
211.16951	1.1
219.10179	100.0
220.10529	1.3
226.98524	0.4
237.11313	0.7
251.09090	0.3
287.12808	0.3
294.23932	0.3
313.13876	0.3
331.15427	1.3
409.18405	0.5
540.22021	0.5
540.30890	0.3
541.22504	3.6
545.53473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16009	0.5
57.03427	0.8
59.16830	0.6
69.03432	0.6
69.45218	1.0
69.45603	1.5
71.04993	1.5
81.03439	0.6
81.07043	0.8
85.02927	3.3
91.05456	1.3
93.07033	0.9
97.02857	0.7
105.07037	0.8
107.08595	1.7
115.05432	0.9
117.06969	0.6
121.10121	1.2
123.08080	1.2
127.03855	0.5
129.06990	4.9
130.17024	0.6
131.04941	0.8
131.08572	6.5
135.08020	0.7
137.06012	1.2
141.06987	4.7
143.08508	0.7
144.05717	0.7
145.06596	0.7
151.07574	0.9
157.06490	5.0
158.07253	2.0
159.08034	5.0
160.05208	0.8
163.11194	1.2
164.72888	0.5
169.06477	1.7
169.08585	1.6
170.07196	1.5
171.08057	0.9
174.06755	11.2
175.07527	2.8
177.05444	1.1
181.12238	0.8
186.06729	2.2
186.49995	0.6
188.08287	0.7
189.09102	24.6
191.10658	2.2
192.47525	0.5
201.09114	7.8
207.10176	0.7
219.10164	100.0
220.10529	1.2
221.11581	0.6
227.12801	3.6
237.11208	2.3
303.04990	1.0
335.09531	0.9
540.21527	3.8
541.22809	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03618	0.2
55.01871	0.3
57.03438	0.6
57.48605	0.2
61.02919	0.6
64.42142	0.3
69.03416	1.0
70.72353	0.4
71.11431	0.3
81.03426	0.7
85.02908	3.7
91.05476	0.7
97.02893	1.2
99.04450	0.3
109.75598	0.3
112.94452	0.3
115.05472	0.7
116.99313	0.2
117.06973	0.3
125.19195	0.3
127.03898	0.7
128.06157	0.6
129.07016	4.1
131.04897	0.6
131.08568	4.7
135.08020	0.3
137.05972	1.0
141.06970	3.7
144.05649	0.6
145.04956	1.1
145.06503	0.5
146.07269	0.4
157.06494	4.0
158.07292	1.7
159.08055	5.2
160.05226	0.6
161.09592	0.4
162.07611	0.7
163.07526	0.7
169.06474	2.2
170.07288	0.9
173.06161	0.3
174.06754	10.1
175.07544	2.7
180.08647	1.4
186.06776	2.1
187.07562	0.3
188.08339	0.7
189.09102	20.6
191.10735	1.7
201.09109	8.1
207.10217	0.7
219.10159	100.0
220.10539	1.6
226.05139	0.2
234.86075	0.2
237.11137	1.5
373.01831	0.3
381.15393	0.4
528.17578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12806	0.5
51.54026	0.4
57.03437	0.7
61.02928	0.7
69.03436	1.2
70.72424	0.7
85.02901	4.1
91.05479	1.0
97.02877	1.3
107.08586	0.6
118.62541	0.4
127.77843	0.5
128.06218	0.8
129.07002	4.8
131.04890	0.6
131.08562	5.2
137.05960	2.0
139.88089	0.5
141.06993	4.1
144.05714	0.6
145.05014	0.7
145.06276	0.5
148.67834	0.6
152.39713	0.5
157.06516	4.0
158.07263	2.4
159.08080	5.2
160.05191	0.9
163.07510	1.4
169.06491	1.9
170.07303	0.6
174.06772	9.9
175.07542	1.9
180.08644	1.4
181.08652	0.6
186.06766	2.3
189.09103	21.2
191.10689	1.5
201.09113	8.3
214.47284	0.5
218.27898	0.6
219.10159	100.0
220.10460	1.1
237.11227	1.6
348.01816	0.5
383.52399	0.6
409.15381	0.5
526.70264	0.5
541.22504	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	540.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82633	1.3
55.05512	1.9
57.03440	2.6
59.04980	1.2
61.97971	1.1
62.58103	1.1
67.05500	4.1
67.43779	1.0
69.03418	6.7
69.07063	9.7
70.07404	3.2
71.05013	2.8
73.02908	4.6
79.05499	2.2
81.03416	2.0
81.07047	9.0
83.08608	2.0
85.02901	11.1
85.06536	2.8
91.05478	6.9
93.07050	3.2
95.04970	3.7
95.08610	9.6
97.02912	5.6
99.04458	3.2
99.08074	1.2
105.07044	2.7
107.04952	2.0
107.08584	4.9
108.71394	1.3
109.02923	1.3
109.06519	3.5
109.10177	7.3
111.11706	6.0
119.04944	5.4
119.08605	2.5
121.06495	3.0
121.10146	2.7
123.08066	1.8
123.11713	2.4
124.18938	1.2
125.09668	2.6
127.03903	3.0
128.06241	1.5
129.06995	5.3
131.04985	2.4
133.06477	2.2
133.10100	1.6
135.08134	1.8
135.11717	4.9
137.05992	33.6
137.09665	1.4
137.13281	1.3
139.11256	1.3
145.04935	2.3
149.05994	6.4
149.13318	1.7
151.03995	2.1
151.07541	42.9
153.01791	1.4
153.12769	4.2
157.06488	4.5
161.05998	5.5
161.09604	1.6
163.07550	10.5
163.14746	2.1
165.07100	1.5
165.09152	1.4
165.16414	1.3
167.08568	4.4
174.06796	2.7
175.07555	3.0
175.14825	3.9
177.09123	4.3
181.12268	2.5
181.15985	1.5
189.09117	15.1
193.06497	2.3
193.10109	1.9
193.15923	5.7
195.08002	6.7
196.08896	1.4
199.13191	2.5
199.16913	1.6
209.09674	1.6
209.15376	5.1
210.06842	1.9
210.15649	2.5
211.16966	28.1
212.08403	1.6
219.10150	1.5
221.05907	2.9
221.09679	4.0
223.07578	3.7
225.09090	2.4
227.10626	10.7
229.17964	2.7
249.09021	1.9
252.08003	1.3
253.08604	5.3
253.12247	7.7
255.10184	11.9
269.08115	1.4
269.11374	1.6
270.08948	1.5
272.10410	2.0
281.11725	1.7
285.11197	8.6
287.12778	22.8
307.58536	1.5
313.14322	18.3
325.19995	2.3
326.90497	1.3
331.15396	100.0
343.15292	1.6
343.17499	1.2
353.96939	1.3
531.65375	1.5
540.21173	12.9
541.21240	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	540.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.05507	10.4
57.03430	3.6
57.34298	2.2
66.51839	2.3
67.05504	8.7
69.03419	6.8
69.07071	7.6
71.04633	3.2
71.04994	28.6
78.03136	2.4
79.05490	22.6
81.03413	7.1
81.07056	100.0
83.05000	7.1
83.08619	4.2
85.02895	28.4
85.06530	3.6
87.04475	3.5
91.05465	14.7
93.07039	36.8
95.04964	6.5
95.08608	18.5
97.02894	4.5
97.06563	3.2
98.23426	6.7
99.08120	3.1
105.07025	27.6
107.04961	4.8
107.08588	55.7
107.09222	2.1
109.06492	5.8
109.10157	33.4
111.04390	2.8
117.06997	2.7
119.08590	29.3
121.06496	4.1
121.10139	26.1
123.08043	17.7
123.11679	5.4
125.05997	7.9
125.09632	6.8
127.03909	4.3
127.11192	3.5
129.05492	12.0
131.08543	7.2
133.10115	27.4
135.07999	3.8
135.11687	81.2
137.09633	11.7
137.13254	5.6
143.42659	2.3
145.04976	3.3
145.10124	51.9
147.06459	2.9
147.08052	10.1
147.11687	13.2
149.13246	2.4
151.11171	6.4
159.08020	4.0
159.11678	5.4
161.09641	7.4
161.13277	3.0
163.11182	40.3
165.09023	3.6
173.09625	2.3
173.13235	5.6
177.09087	2.4
177.16383	2.4
179.10626	4.6
181.12228	28.6
187.14771	19.8
189.16359	9.1
191.10678	3.5
191.14375	4.4
197.13188	3.1
205.15884	38.4
215.14307	14.4
233.15366	57.0
234.15596	2.9
251.12770	2.6
251.13390	2.6
251.16415	48.2
269.17413	2.6
325.15961	3.1
365.05066	2.8
377.19412	10.7
378.23172	6.1
379.24722	3.9
395.20639	14.9
409.05380	7.0
413.22119	3.7
424.06747	2.6
427.18475	2.7
540.28082	29.3
541.20319	10.8
541.29578	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	540.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.03438	2.8
59.04994	0.6
61.02919	0.9
67.05495	1.3
68.10129	0.4
69.03442	3.3
69.07065	3.5
69.25927	1.6
71.01343	0.7
71.04996	11.4
73.02924	6.0
79.05479	0.8
81.03408	0.6
81.07068	2.8
83.04969	0.7
83.08621	0.9
85.02917	4.5
85.06537	1.5
91.05486	0.9
92.21457	0.4
93.07057	2.6
95.08614	5.9
97.02878	4.1
97.06520	1.2
99.04457	33.6
105.06995	1.4
107.08585	3.8
109.02903	0.5
109.06513	0.8
109.10164	4.0
111.11725	1.1
113.09651	3.4
115.03947	2.3
115.07560	1.6
119.08571	3.1
121.06527	0.4
121.10139	2.0
123.08064	1.3
123.11745	2.5
125.09644	1.9
127.03914	1.6
133.04968	0.5
133.10117	2.7
135.11687	11.5
137.05972	1.9
137.09599	1.4
139.11188	1.3
141.09114	0.7
141.12730	1.7
145.04994	1.1
147.11690	0.5
149.13246	0.8
151.07503	0.6
151.14836	2.6
153.12695	1.3
163.07510	0.8
163.14760	0.7
165.16336	0.6
169.15909	0.8
175.14845	4.8
177.09128	0.7
189.09077	0.5
193.15872	6.3
203.07050	0.4
209.15392	0.5
211.16933	100.0
212.17274	1.1
227.10794	0.4
307.19098	0.7
313.14136	0.5
331.15411	1.6
373.21915	0.5
436.27905	0.5
516.48187	0.4
541.21912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
57.03439	3.6
59.04999	1.2
59.98959	0.8
61.02943	1.6
67.05501	3.8
69.03424	4.5
69.07063	6.4
69.40599	2.7
69.41014	1.7
71.04992	4.1
71.76226	0.9
73.02925	7.7
73.44715	0.7
79.05505	1.6
79.08023	0.7
81.07050	6.7
83.08621	3.7
85.02906	7.7
85.06528	3.8
90.15942	0.7
91.05492	2.2
93.07043	8.6
95.04959	0.9
95.08610	11.4
96.61671	0.7
97.02883	7.8
97.06537	7.4
98.22717	1.4
99.04435	4.7
99.08092	2.1
105.07040	3.6
107.08588	10.7
109.02877	0.9
109.06504	4.6
109.10156	17.8
111.08090	1.3
111.11707	1.2
115.03929	5.5
115.07561	6.9
119.08593	10.1
121.10132	3.7
123.08073	2.8
123.11701	5.1
125.09589	1.2
127.03928	2.7
127.11195	2.1
133.04951	1.1
133.10129	17.0
135.11694	22.6
137.09607	3.0
141.09134	1.2
141.12860	0.9
145.04999	2.5
147.11717	2.3
149.13271	6.5
151.14841	1.2
153.01849	2.1
153.12741	6.4
163.06032	0.9
167.14369	1.1
175.14825	30.9
177.16373	4.4
181.12292	1.5
193.15881	42.2
199.13362	1.0
211.16931	100.0
212.17267	1.7
229.18118	0.9
229.44417	0.8
245.49641	0.9
259.08182	1.7
261.70950	0.9
295.10263	1.1
325.20126	1.0
373.22159	1.0
421.30051	0.9
518.69495	0.9
541.22571	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	540.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98636	0.4
56.96566	6.6
69.34373	0.4
69.74471	1.4
98.22676	0.7
98.97579	88.2
116.98616	37.7
134.99648	8.1
140.00183	1.0
172.94333	3.5
190.95375	2.7
197.95097	0.5
206.17650	0.4
208.96437	0.5
214.95346	3.6
232.96448	7.4
240.98799	0.7
250.97536	2.5
255.81604	0.4
256.96411	22.7
257.96878	0.5
258.99731	8.8
272.94522	0.5
274.97495	100.0
275.97934	1.5
276.98080	0.4
277.00812	10.3
278.01019	0.5
290.95407	0.5
292.98550	54.2
293.98981	0.9
297.99094	1.4
298.97778	1.3
316.00287	0.6
316.98718	0.6
317.99036	0.4
329.58948	0.4
331.99734	0.4
332.96652	1.0
382.99722	0.8
398.97595	25.1
399.97617	1.2
401.00974	3.0
416.98648	56.6
417.99002	1.9
419.02191	1.0
432.96338	1.0
434.99789	8.7
435.05753	0.4
440.00278	1.2
456.96588	2.0
474.98459	0.4
540.98785	16.3
541.99133	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	541.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35071	0.3
55.05515	0.6
55.31050	0.3
58.34970	0.3
63.95665	0.3
69.79142	0.7
69.79477	0.8
81.03431	0.4
81.07059	0.9
83.08630	0.6
88.95305	0.4
93.07021	0.5
95.08581	0.7
100.11272	0.7
109.10193	0.4
115.17365	0.4
115.28748	0.4
119.08598	0.5
137.05980	0.4
157.68727	0.3
170.15482	0.4
182.15417	0.7
200.78682	0.3
211.17027	0.7
287.80191	0.4
307.26660	0.4
311.26855	0.3
358.84189	0.3
409.18372	0.4
413.34467	0.4
540.41675	0.7
541.20514	100.0
542.20862	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	541.206
Annotation	N-Ac-Tyr-Val-Ala-Asp-CMK
Peak:m/z	Relative Intensity
57.57331	0.3
69.41281	1.8
77.93575	0.3
79.05486	0.3
84.37207	0.3
93.07015	0.3
99.34464	0.4
100.15205	0.3
152.85742	0.3
177.15306	0.3
335.09583	1.2
345.05212	0.3
345.09653	0.9
409.18304	0.8
541.20685	100.0
542.20966	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37542	0.3
58.28893	0.4
61.02928	0.4
67.05497	0.4
69.03426	0.4
69.07068	0.6
70.55872	0.4
71.04990	0.5
73.02927	1.0
79.05491	0.4
80.61423	0.3
81.07055	1.3
85.02905	1.1
91.00807	0.3
91.05468	0.7
93.07028	1.0
95.08606	1.2
97.02888	0.9
97.06547	0.8
97.10300	0.4
99.04495	0.4
105.07013	0.7
107.08609	1.1
109.06540	0.5
109.10166	1.2
110.10470	0.5
110.36127	0.4
110.83701	0.3
111.08106	0.4
115.03920	0.6
119.08585	0.5
120.08883	0.4
121.10149	0.9
123.11694	0.9
125.09577	0.4
132.86029	0.3
133.10144	1.5
134.10518	0.5
135.11667	1.0
136.12048	0.7
137.09552	0.4
145.04935	0.4
149.13304	0.4
172.03928	0.6
173.04305	0.4
175.14842	1.6
176.15175	1.1
193.15805	1.7
194.16193	1.7
204.06641	0.5
205.07021	0.5
211.16951	3.3
212.17259	3.7
294.15536	0.4
326.12067	0.7
333.07922	0.4
335.09424	1.4
409.18228	0.7
467.19623	0.5
509.21024	0.9
510.19659	0.4
541.20569	100.0
542.21027	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	541.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63323	0.2
69.03432	0.2
69.17764	0.2
69.64662	0.8
81.07071	0.4
82.27059	0.2
85.02892	0.3
93.07053	0.3
95.08607	0.3
100.11270	0.6
100.90121	0.2
102.21904	0.2
105.07024	0.3
107.08633	0.5
109.10160	0.4
121.10158	0.3
123.07959	0.2
125.50042	0.2
137.06012	0.4
153.01843	0.2
159.97453	0.2
171.02724	0.2
189.09166	0.4
190.09538	0.3
210.14946	0.2
219.10216	0.6
220.10536	0.6
225.34511	0.2
275.07346	0.3
332.15710	0.3
333.08029	0.4
335.09491	3.9
343.91367	0.2
370.46069	0.2
409.18326	5.4
447.50897	0.2
540.42145	1.4
541.22571	100.0
542.22864	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	541.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
67.05510	0.3
69.03435	0.3
69.35403	0.8
69.35803	0.4
73.02921	0.3
81.07066	0.9
84.16092	0.2
85.02931	0.3
95.08611	0.7
98.22583	0.3
98.23167	1.0
107.01110	0.4
107.08627	0.9
109.10190	0.6
119.08616	0.5
119.25440	0.3
123.11716	0.6
123.93891	0.3
133.10139	0.4
133.35262	0.3
135.11707	0.6
139.92274	0.3
153.12711	0.3
162.23878	0.2
167.03412	0.2
175.14905	0.4
193.15840	0.5
194.16251	0.7
211.17029	1.0
212.17375	0.9
247.13177	1.5
260.08514	0.2
275.07535	0.3
307.26514	0.4
317.08524	0.5
335.09470	1.9
409.18411	3.7
410.19119	0.3
541.22632	100.0
542.22943	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	541.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34388	0.2
54.21427	0.2
57.03452	0.2
58.72418	0.2
64.66447	0.3
69.07078	0.3
69.80584	0.9
73.63190	0.2
81.07053	0.3
83.06126	0.3
93.07058	0.3
95.05004	0.3
95.08612	0.3
98.22695	0.3
121.10104	0.3
123.08080	0.4
153.01813	0.6
163.03944	0.3
201.63391	0.3
209.08098	0.3
275.07211	0.5
278.04251	0.3
317.08395	1.0
322.13754	0.3
335.09512	2.9
335.65314	0.3
409.18341	7.3
422.82227	0.3
479.22192	0.4
541.22510	100.0
541.29156	4.3
542.22809	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	541.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26099	0.3
62.98440	0.4
69.03432	0.3
71.45551	0.4
82.46767	0.3
85.02911	0.6
90.53977	0.3
93.07031	0.4
121.06561	0.3
131.08612	0.6
137.05951	0.3
141.07062	0.4
163.07535	0.4
174.06790	1.0
175.07205	0.7
189.09143	1.7
190.07922	0.3
190.09404	1.7
194.70576	0.4
201.09320	0.4
202.09428	0.4
219.10185	6.2
219.12085	0.5
220.10497	6.3
335.09418	3.0
348.97775	0.3
364.60434	0.4
371.08981	0.4
382.15778	0.4
409.13123	0.5
409.18234	2.9
523.21179	0.4
541.22565	100.0
542.22937	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	541.2989
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
52.32419	0.3
55.05515	0.4
56.66481	0.3
60.75315	0.3
60.90379	0.3
62.40575	0.3
67.05523	0.6
69.07059	0.6
69.77222	0.9
71.05023	0.4
71.19067	0.3
81.07064	0.7
85.02932	0.4
91.05506	0.4
93.07051	0.6
95.05035	0.3
95.08616	0.4
98.22720	0.4
105.07056	0.5
109.10172	0.4
110.79729	0.3
111.11781	0.6
129.12798	0.3
137.09590	0.6
137.34821	0.3
203.05299	2.4
252.16789	0.4
361.23505	9.6
379.24472	6.9
443.28333	0.8
541.29944	100.0
542.30072	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	541.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
53.96825	1.3
55.01872	1.6
55.05512	11.8
57.03437	2.1
57.07077	4.6
65.03913	1.7
66.45262	1.2
67.05503	26.6
69.07080	8.5
70.06597	1.9
71.04990	1.7
71.08633	3.3
78.07615	1.3
79.05499	27.4
79.40013	1.1
81.07053	24.2
83.04983	2.1
83.08622	5.2
83.89877	1.3
88.07625	4.0
91.05484	20.7
93.07048	25.5
95.04979	5.0
95.08611	15.6
97.06541	2.8
97.10179	3.3
102.09216	2.4
105.04535	2.3
105.07034	17.6
107.04995	1.2
107.08592	9.1
108.08977	1.3
109.06533	1.5
109.09517	1.1
109.10161	6.9
111.08067	1.6
113.79944	1.3
117.07039	9.9
119.08573	11.3
121.10178	6.5
123.08072	2.0
125.09661	1.5
128.06227	2.8
128.82426	1.2
129.07010	10.1
131.08583	13.1
133.10197	5.9
135.11684	3.0
139.76015	1.3
141.07013	3.9
142.07816	1.9
143.08574	14.3
145.10110	13.3
147.11703	7.5
149.13261	2.7
155.08563	7.6
156.09352	1.3
157.10132	10.1
159.11708	7.1
161.13351	3.7
167.08565	3.4
169.10118	11.3
171.11711	10.2
173.13290	4.2
174.39519	1.2
181.10121	6.6
183.11723	7.5
185.13300	5.1
187.14789	2.4
189.12820	1.4
193.10228	1.8
195.11742	3.6
197.13348	4.3
199.14832	4.7
201.16489	2.3
207.11899	2.9
207.13881	3.6
209.13315	3.6
211.14841	2.6
213.16393	3.0
219.11916	1.3
221.13402	1.4
223.14862	2.6
225.16438	2.6
235.14861	1.7
237.16403	1.9
239.17970	2.6
243.21269	1.7
256.26331	3.1
257.26788	1.6
261.22171	3.7
281.17676	1.6
311.23804	1.9
311.29401	3.1
312.29779	3.3
317.24768	3.2
355.26303	1.9
369.28345	1.8
431.33157	4.3
449.34424	11.0
467.35135	4.1
505.37253	1.7
523.38031	8.5
540.53668	4.4
541.38904	100.0
541.53741	9.7
542.39355	2.9
551.17084	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	542.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05514	1.3
57.03429	1.5
61.02924	1.0
66.57186	0.7
67.05508	13.3
69.03431	8.9
69.07045	0.8
71.04992	1.4
79.05488	2.9
81.03429	9.1
81.07051	10.0
85.02906	14.0
91.05464	1.2
93.07040	3.2
95.04965	3.0
95.08604	9.2
97.02898	7.7
99.04453	3.6
99.08103	1.5
107.08591	2.0
107.51955	0.8
109.02886	8.5
109.06534	1.1
109.10165	54.4
119.08591	3.2
121.10157	2.9
125.05975	5.3
127.03914	10.7
137.05988	2.7
137.09622	100.0
138.09961	1.7
145.04973	3.9
147.08052	1.2
155.10670	24.1
163.06049	2.1
165.09120	79.3
166.09416	1.4
167.03488	0.8
173.52516	0.7
183.10165	20.4
183.11678	1.5
185.85918	1.0
201.11229	83.6
202.11569	1.4
218.12138	0.8
219.12314	2.0
267.12466	1.0
268.83646	0.8
291.12299	3.0
309.13290	9.7
327.14426	20.9
335.09451	1.7
345.15488	7.7
435.16876	1.0
453.17542	4.6
471.18686	7.8
489.19504	4.9
525.23376	2.0
542.23004	28.0
543.24188	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	542.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05519	1.6
55.94715	0.8
57.03432	1.5
61.02939	0.9
67.05509	16.0
69.03431	8.3
71.04968	2.2
79.05482	1.7
81.03414	9.6
81.07056	9.5
85.02914	9.8
91.05486	1.1
93.07045	3.1
95.04971	2.1
95.08603	6.6
96.40472	0.9
97.02892	7.9
99.04473	3.6
107.08596	2.0
109.02879	6.0
109.06520	1.8
109.10161	49.3
114.70066	1.0
119.08593	3.3
120.71992	1.0
121.10163	1.5
125.06012	3.7
127.03921	9.3
137.05968	2.5
137.09618	100.0
138.09993	0.9
144.68910	0.9
145.04959	2.3
147.04462	0.8
147.08057	1.4
155.10678	13.6
165.09116	87.4
166.09518	1.3
183.10172	19.1
201.11221	51.6
219.12216	1.7
265.29691	0.9
267.12274	0.9
291.12265	2.6
309.13217	8.4
327.14386	25.5
345.15463	17.6
382.63489	1.1
453.17606	1.8
471.18561	6.4
489.19769	7.6
542.22882	11.6
543.24103	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	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61539	0.4
55.01876	0.5
57.03447	0.5
61.02926	0.5
69.03411	1.1
71.51988	0.4
76.68800	0.4
79.05512	0.6
81.07056	0.6
82.74448	0.4
85.02904	5.8
91.05477	1.5
94.04190	2.7
94.66031	0.4
95.05007	0.8
97.02870	1.4
103.05475	6.5
105.07021	3.1
107.04946	1.2
109.06514	1.2
115.05461	0.9
117.07021	1.1
119.04919	0.7
121.06484	2.8
122.03651	5.8
123.08053	0.4
127.03944	0.5
128.06218	1.1
129.54724	0.4
131.04938	8.7
133.06490	15.7
135.08034	4.6
137.05977	100.0
137.09613	1.4
138.06294	1.2
143.08545	1.8
145.04967	1.2
145.06483	3.1
147.08072	1.0
149.05933	1.0
151.07541	6.2
157.06497	1.5
159.08052	0.5
163.07538	26.9
164.07864	0.5
165.09143	1.2
171.08089	2.0
174.06793	1.2
175.07538	2.3
177.09134	0.7
187.07541	0.7
188.08298	0.7
189.09126	2.7
201.11212	1.0
203.10657	4.7
219.10153	0.7
235.11261	0.7
245.09721	0.6
263.10712	1.6
295.13300	14.6
299.42191	0.4
309.20575	0.4
327.15891	25.6
328.16074	0.9
345.17047	2.2
542.22925	6.1
543.23718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
57.07070	5.6
58.06590	3.4
67.36535	0.8
70.06593	17.4
71.08633	1.6
81.07020	1.0
85.10159	1.1
88.07628	21.8
88.84335	0.9
90.03160	0.9
102.09181	14.8
105.03394	15.5
105.07068	1.4
131.04918	1.0
140.58040	0.8
149.02365	11.5
149.05974	60.0
150.06369	1.8
169.59126	0.9
181.06393	2.1
184.84912	1.0
188.15289	1.1
193.04948	10.9
228.23222	48.9
297.07571	13.8
328.08115	1.0
341.10181	54.4
342.10449	1.0
524.61469	1.0
542.31055	100.0
543.30652	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.5
57.03437	5.9
57.07083	12.2
59.04981	2.1
67.05502	2.0
69.03419	1.8
69.07069	53.8
69.07451	2.6
70.21547	3.2
71.04997	41.7
71.08627	9.2
73.06551	10.5
75.04490	3.2
81.07081	2.4
83.04986	6.8
85.02903	46.5
85.10207	5.1
89.06026	30.6
97.02907	2.5
105.97991	1.5
107.08617	2.2
109.10159	1.9
111.04459	2.6
111.11720	73.8
129.05470	18.3
129.12761	100.0
137.09753	1.3
147.06534	5.9
199.16939	21.1
203.05171	2.4
217.17989	26.9
253.18097	1.6
309.11957	2.6
362.23941	4.0
363.19434	1.5
380.24985	5.3
381.26108	2.4
522.04791	2.0
523.31976	1.7
524.20697	1.7
542.30292	61.1
543.31482	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	542.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.5
57.03437	5.9
57.07083	12.2
59.04981	2.1
67.05502	2.0
69.03419	1.8
69.07069	53.8
69.07451	2.6
70.21547	3.2
71.04997	41.7
71.08627	9.2
73.06551	10.5
75.04490	3.2
81.07081	2.4
83.04986	6.8
85.02903	46.5
85.10207	5.1
89.06026	30.6
97.02907	2.5
105.97991	1.5
107.08617	2.2
109.10159	1.9
111.04459	2.6
111.11720	73.8
129.05470	18.3
129.12761	100.0
137.09753	1.3
147.06534	5.9
199.16939	21.1
203.05171	2.4
217.17989	26.9
253.18097	1.6
309.11957	2.6
362.23941	4.0
363.19434	1.5
380.24985	5.3
381.26108	2.4
522.04791	2.0
523.31976	1.7
524.20697	1.7
542.30292	61.1
543.31482	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	542.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.8
56.42636	0.8
57.07079	37.3
67.05504	3.0
69.07062	2.5
71.08637	24.6
73.06560	6.9
79.05489	3.7
81.03412	0.9
81.07050	3.0
83.08626	2.1
85.10185	21.4
87.04475	5.2
89.06034	100.0
91.05472	2.4
93.07047	3.0
95.08599	1.9
97.10165	3.9
98.22706	2.4
99.11732	4.7
105.06994	1.5
107.04978	1.1
107.07056	2.6
107.08605	1.4
113.13277	1.5
114.90924	0.8
117.09139	5.7
119.08571	1.3
130.08623	2.3
131.07039	2.6
131.08582	1.5
133.08609	52.6
147.11665	0.9
155.17969	4.3
157.73032	0.7
159.11618	1.1
159.23421	0.8
161.11758	1.4
177.11237	24.8
199.20573	3.7
221.13849	5.4
232.71869	0.8
239.14789	1.6
243.23180	13.9
265.16489	1.8
274.78345	0.9
275.19949	0.8
283.17514	2.6
287.25812	7.1
327.20139	2.8
371.22665	8.3
481.37762	1.5
517.81244	1.0
525.39996	17.1
542.42108	2.5
543.36505	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	542.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.6
55.71404	3.1
55.85009	2.4
57.03430	11.9
57.07072	27.8
67.05508	36.2
69.07063	11.2
71.08627	14.0
79.05476	15.5
81.07055	50.1
83.04977	4.7
83.08619	12.0
85.10172	9.4
91.05471	7.1
93.07040	29.3
95.04959	3.7
95.08597	21.7
96.55106	2.7
97.06522	3.4
97.10149	3.7
103.85173	2.9
105.07022	6.2
107.08591	12.3
109.10145	5.1
111.08060	3.9
121.10126	7.9
131.08516	4.3
133.10182	2.9
135.11589	3.6
149.13254	19.1
159.11676	7.2
177.12761	4.3
195.13799	9.5
218.85475	2.9
224.58586	2.7
255.79199	3.3
269.17484	100.0
313.27365	74.2
507.40408	95.5
508.40689	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	543.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29712	1.2
56.96293	1.7
56.96565	25.2
58.95586	1.1
70.90020	2.0
84.96033	22.7
98.97581	62.2
102.97080	2.5
110.97572	4.3
116.98621	24.1
119.48477	1.2
124.99098	1.6
128.98621	3.6
134.99661	6.3
141.25023	1.3
142.96492	1.6
143.00206	1.9
144.98073	2.1
146.99660	1.8
153.01846	2.4
158.99670	4.6
161.01219	2.1
162.99152	2.0
164.98630	1.6
169.01668	6.0
170.99683	1.9
177.00748	3.9
180.98087	2.5
182.99745	3.5
187.02769	25.2
190.96524	6.2
194.99718	1.8
197.01250	6.7
198.99142	8.5
199.02835	1.6
201.00664	10.2
204.98122	1.7
205.03850	11.9
208.97562	36.5
208.99413	2.6
209.97992	1.3
210.99298	1.2
211.02785	23.4
211.04642	1.8
213.00656	4.1
215.02261	37.6
219.01715	9.5
222.99088	7.3
226.98625	72.0
229.00435	9.5
229.03830	50.2
233.03340	7.4
237.02765	10.0
238.03923	1.5
241.00179	24.0
241.03844	1.4
244.99675	34.3
247.01292	5.0
247.04921	4.1
250.00270	1.5
250.98682	6.7
252.05406	1.6
259.01257	35.3
259.03751	2.1
263.00772	19.4
268.99728	15.2
271.04965	3.4
277.02350	9.9
283.01218	11.3
287.00781	12.0
289.82693	1.3
295.01239	1.8
301.02255	12.8
303.01672	9.6
305.01804	4.3
311.00702	7.5
317.03333	1.9
321.02835	19.7
329.01801	6.6
331.06915	2.4
334.83231	1.3
335.04437	14.4
335.09268	2.9
339.03958	2.6
345.02866	3.9
349.08328	3.5
353.01703	3.0
353.05533	20.6
363.03860	18.6
371.02551	1.6
371.06720	1.7
381.04935	28.6
389.03976	2.5
393.05023	3.8
395.06534	25.7
399.05948	2.4
423.06149	2.0
483.08112	100.0
484.08359	2.0
501.09167	69.9
502.09256	2.4
524.11096	2.5
543.10236	6.7
543.24127	86.6
544.24841	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	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08722	0.6
62.27341	0.6
63.96854	0.7
69.64741	0.9
75.35244	0.5
94.93018	2.0
101.76989	0.6
105.21516	0.7
105.72715	0.5
108.63512	0.5
170.00716	0.6
176.93536	0.7
200.34554	0.5
204.15802	0.5
232.92294	1.9
243.19315	0.5
248.89626	2.8
250.89540	1.0
304.53625	0.6
312.91135	0.6
346.87344	1.5
381.07941	13.3
467.25916	0.6
543.13245	100.0
544.13831	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	543.133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24812	0.5
70.24235	1.2
70.24577	0.7
73.58717	0.5
83.80602	0.5
96.05807	0.5
98.22826	0.6
115.38984	0.5
161.09735	0.5
363.06796	0.9
381.07965	14.0
543.13269	100.0
544.13708	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	543.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85018	0.6
81.07077	0.3
85.02880	0.3
100.13580	0.3
120.57841	0.3
146.10338	0.3
185.04205	1.1
309.09460	0.9
333.08005	0.4
335.09390	0.9
374.97977	0.7
381.18848	0.7
445.20325	0.5
543.18121	100.0
544.18567	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	543.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
69.35038	0.6
69.35432	1.6
75.32890	0.3
79.05466	0.4
81.07030	0.9
83.04951	0.5
93.07006	1.6
95.08572	1.4
105.07041	0.8
105.74894	0.4
107.08596	2.1
109.06467	1.2
119.08559	0.9
121.10162	1.8
121.10894	0.4
123.08032	0.7
125.09618	0.5
133.10060	0.8
135.11673	0.8
161.13281	2.6
167.03333	0.5
167.14319	0.6
179.14326	3.2
181.04924	0.9
188.09482	0.3
193.78343	0.3
203.05312	2.3
245.06505	0.6
275.07382	3.9
317.08554	0.9
333.07977	1.4
335.09512	58.1
336.09818	1.3
381.18872	1.2
411.19821	0.5
513.23157	29.9
514.23676	0.7
525.22766	0.4
543.24152	100.0
544.24347	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54794	0.5
67.85007	0.4
69.40993	2.3
71.04958	0.4
81.07073	0.6
89.55540	0.4
93.07061	1.1
95.08624	1.4
105.07082	0.9
107.08620	1.6
109.06625	0.7
109.10200	0.7
119.08631	0.9
121.10171	1.9
123.08067	0.9
125.09668	1.0
133.10132	0.5
135.11745	0.6
137.13272	0.5
153.01787	0.6
156.55928	0.5
161.12041	0.5
161.13240	2.4
179.14310	2.7
203.05328	2.0
275.07458	2.0
333.08014	0.7
335.09503	46.3
336.09674	0.6
350.45737	0.4
377.16492	0.5
390.28461	0.4
410.77945	0.5
513.23108	36.3
514.23297	1.9
529.58380	0.6
543.24103	100.0
544.24445	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	543.3142
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
50.20547	0.3
55.05528	0.4
57.04306	0.3
60.92318	0.3
66.45885	0.3
67.05508	0.3
81.07059	0.6
91.36470	0.3
93.07047	0.6
98.22939	1.8
104.73203	0.3
104.93894	0.2
107.08607	0.4
109.81053	0.3
125.76846	0.3
168.25676	0.3
329.19800	0.3
349.96106	0.3
381.26068	3.5
443.43411	0.3
481.31497	0.6
483.28763	0.3
525.29858	1.6
543.31464	100.0
544.31799	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	543.3149
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
55.05532	0.1
55.25430	0.1
56.05529	0.1
62.90379	0.1
67.05517	0.2
71.04998	0.4
71.33764	0.2
78.63550	0.2
81.07076	0.4
85.02915	0.6
91.05528	0.2
95.08627	0.2
107.08604	0.2
108.38987	0.1
117.45849	0.1
117.91853	0.2
129.05508	0.3
147.06525	0.1
149.36734	0.2
185.04262	0.3
187.58145	0.1
203.05260	4.1
331.09995	2.4
363.25073	10.7
364.25397	0.3
381.26178	2.4
492.96707	0.2
543.16406	3.4
543.31433	100.0
544.31879	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
55.05511	17.5
56.98148	0.9
57.03437	3.6
57.07059	1.8
59.05009	1.1
65.03954	1.1
67.05502	31.4
69.03423	2.2
69.07069	9.2
71.04987	4.0
77.03891	1.3
79.05495	18.1
81.03438	5.2
81.07056	26.8
83.04992	4.3
83.08627	11.8
85.02892	1.3
85.06525	1.8
91.05473	20.6
93.07050	19.2
95.04980	9.0
95.08599	17.6
95.09143	1.7
97.06535	3.9
97.10162	10.9
99.08101	1.4
105.04523	1.1
105.07028	18.2
107.04961	3.9
107.08588	15.0
109.06540	2.8
109.10156	8.9
111.08118	2.7
115.05470	2.2
117.07024	11.1
119.08569	14.5
121.06517	3.4
121.10140	7.3
123.08073	2.3
123.11732	3.1
125.09619	7.7
128.06252	1.5
129.06992	8.9
131.08569	15.0
133.06491	2.1
133.10138	11.2
134.10516	1.1
135.08052	5.0
135.11688	5.0
141.07043	3.8
142.07823	2.3
143.08568	8.6
145.06519	2.0
145.10121	14.8
147.08031	2.5
147.11687	6.8
149.05995	1.4
149.09668	3.6
149.13248	1.4
151.11156	1.3
153.09081	1.3
155.08578	4.6
157.10112	8.1
159.08067	3.5
159.11685	9.3
161.09642	2.3
161.13272	3.4
163.11217	4.3
165.34810	1.0
167.08640	2.1
169.10095	5.8
171.08220	1.5
171.10437	1.6
171.11664	7.7
173.09683	3.1
173.13269	6.2
175.11130	1.4
175.14896	1.2
179.14291	2.5
181.10158	3.4
183.11708	5.0
185.09673	1.8
185.13226	5.0
187.11176	1.7
187.14876	2.2
189.11293	3.9
193.10165	1.2
193.12288	1.4
195.10124	1.1
195.11765	4.0
197.13249	5.0
199.11278	1.3
199.14812	2.8
203.14189	1.0
209.13356	3.8
209.31282	1.0
211.14795	2.3
212.90414	1.1
221.13156	1.3
225.16580	1.3
227.12663	6.9
233.15344	1.4
257.18909	1.2
259.20697	4.6
267.15823	2.4
275.20111	1.7
277.21735	2.2
283.20496	2.0
299.23730	8.8
301.21481	1.4
307.20483	1.3
315.23077	1.3
333.24390	2.7
339.23132	1.6
360.07083	1.0
415.30115	2.4
421.25900	1.7
423.32629	1.8
433.31021	6.6
445.29611	1.3
451.26828	2.2
451.32205	10.2
469.33286	4.4
477.28857	1.3
507.34708	2.0
509.32022	1.2
525.35754	22.2
526.36401	2.3
543.36902	100.0
544.37793	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	543.3685
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03952	1.2
55.01869	3.1
55.05517	11.0
57.03439	3.6
57.07069	1.4
57.13881	1.3
65.03922	2.2
67.05510	20.8
69.07071	6.6
71.05006	1.8
79.05499	15.0
81.03443	6.5
81.07067	15.6
83.04989	2.1
83.08618	6.3
83.10137	1.5
85.00024	1.2
91.05486	14.2
93.07053	13.4
94.72169	1.3
95.04981	5.9
95.08616	10.7
96.29176	1.4
97.06542	1.5
97.10187	6.8
105.07024	12.5
107.04963	1.7
107.08610	6.8
109.06594	1.3
109.10168	5.1
111.08034	1.7
113.51439	1.3
117.07016	7.0
119.08601	10.0
121.06536	2.4
121.10179	4.6
123.11761	1.8
125.09652	4.4
128.06230	1.7
129.07045	5.8
131.08560	10.8
133.06461	1.8
133.10138	8.0
135.08060	1.6
135.11714	3.6
141.07027	1.6
143.08574	7.8
145.06406	1.7
145.10127	11.3
147.08113	2.5
147.11734	4.4
149.09584	1.4
149.13251	2.4
155.08597	3.5
157.10110	6.4
159.08063	2.9
159.11664	6.7
161.09692	1.7
161.13310	3.0
163.11182	2.1
168.32628	1.5
169.10161	5.2
171.11691	6.7
173.09676	2.5
173.13292	4.7
175.11227	2.4
181.10176	2.4
183.11711	5.6
185.09679	1.5
185.13324	5.0
185.24582	1.2
187.11180	2.0
193.12257	2.1
195.11678	2.3
197.13286	3.8
199.14854	2.1
209.13281	1.9
211.14952	2.0
227.12767	3.5
257.19028	2.0
259.20563	3.4
267.15967	2.5
277.21579	1.7
283.20743	1.4
297.22214	2.0
297.90158	1.4
299.23645	2.8
333.23840	1.5
339.23090	1.3
355.26590	1.6
356.27731	1.4
357.24277	1.4
366.09149	1.8
423.32455	1.5
433.31049	5.4
451.32156	9.5
458.68933	1.4
469.33365	4.6
507.34604	1.8
515.37415	2.7
525.35852	14.2
526.35797	1.7
543.36829	100.0
544.37201	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
52.14221	0.5
53.03937	1.3
55.01876	2.1
55.05264	1.0
55.05514	12.5
57.03440	2.7
57.07075	1.2
60.08736	0.5
65.03928	1.0
67.05160	1.2
67.05507	20.8
69.03423	1.1
69.07069	7.0
71.04995	1.8
79.05497	16.7
81.03413	7.2
81.06566	1.0
81.07056	19.8
83.04984	2.0
83.08618	7.6
85.02944	0.9
85.06525	0.9
91.05482	16.2
93.07047	12.9
95.04968	6.5
95.08605	10.5
97.06516	2.3
97.10179	7.1
98.22715	1.6
105.07022	14.5
107.04960	2.4
107.08600	10.7
109.06506	1.3
109.10153	7.3
111.08107	1.4
115.05453	1.4
117.07011	8.7
118.13775	0.6
119.08578	10.3
121.06522	1.7
121.10156	4.4
123.08092	0.9
123.11710	1.4
125.09632	5.5
128.06252	2.0
129.07010	6.7
130.07741	1.0
131.08568	12.2
133.06511	1.7
133.10133	7.5
135.08047	1.9
135.11687	2.5
137.09605	1.1
141.07011	2.7
142.07765	1.5
143.08556	8.2
145.06497	2.1
145.10121	9.6
145.38503	0.6
147.08112	1.9
147.11707	5.9
149.09637	2.0
149.13235	1.0
151.11093	0.6
153.07048	0.8
153.09146	0.7
153.30128	0.7
154.07726	0.6
155.08569	3.7
156.09370	0.7
157.06548	1.1
157.10133	7.4
159.08052	3.0
159.11674	8.0
161.09702	1.0
161.13232	2.1
163.11205	0.8
167.08609	1.6
168.09285	0.9
169.10110	5.3
171.08069	1.1
171.11697	6.5
173.09674	2.0
173.11934	1.1
173.13200	4.0
175.11121	1.6
175.14803	1.0
179.08603	0.7
179.14276	1.4
179.65164	0.6
181.10091	3.2
183.11717	5.4
185.09613	1.4
185.13278	4.1
187.11243	1.3
187.14873	2.1
189.11232	1.8
189.12752	0.9
193.12276	2.5
195.11719	2.6
197.13245	3.5
199.11217	1.0
199.14854	2.5
201.12831	0.9
201.16412	0.8
207.11832	0.8
209.13295	3.0
211.14908	1.8
212.69342	0.6
213.12834	0.8
223.14807	1.8
227.12611	1.2
241.15849	0.8
241.19586	1.9
243.15871	0.8
247.16948	0.8
257.18900	1.1
259.20621	4.3
267.15759	3.3
275.20081	1.1
277.21732	1.2
283.20557	1.8
297.22156	1.9
299.20398	1.1
299.23450	3.3
301.21713	0.8
311.20172	0.8
311.23761	0.8
313.21701	1.0
315.23355	0.9
321.22046	0.8
333.24310	2.2
335.23715	1.2
339.23126	1.1
357.24359	0.8
365.07999	0.6
371.25531	0.8
394.19647	0.6
405.31360	0.9
413.12335	0.8
415.29755	1.4
421.26120	0.7
423.32678	1.8
433.30859	5.6
451.32047	8.4
469.33035	3.5
507.34848	1.3
515.37268	1.9
525.35779	14.7
526.36157	1.5
543.36835	100.0
544.37146	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01628	0.8
51.02378	1.1
53.03947	4.1
53.59990	0.9
55.01874	18.7
55.05510	27.9
56.59753	0.9
57.03431	5.5
57.07061	2.2
59.05009	1.3
65.03944	4.2
66.65237	0.9
67.05505	76.4
69.03434	3.0
69.07068	46.5
71.04993	5.1
71.10892	1.0
77.03924	2.5
79.05491	55.0
81.03425	10.3
81.07056	90.6
82.07392	1.2
83.04977	11.3
83.08620	17.3
85.06543	3.1
86.54577	1.0
91.05481	64.0
93.07043	66.2
95.01340	14.9
95.04969	18.5
95.08602	41.1
95.09221	2.0
97.02856	1.1
97.06529	33.0
97.10157	6.1
99.08059	2.0
103.05478	2.7
105.04522	3.4
105.07030	71.0
107.04955	21.5
107.08595	32.6
107.09340	1.4
109.06529	4.6
109.10167	9.3
111.08088	6.8
111.11743	1.0
113.09695	2.3
115.05470	3.2
116.06211	1.3
117.07014	19.6
117.07803	1.4
119.08585	40.9
121.06519	4.9
121.10143	16.3
123.04427	2.1
123.08102	3.3
123.11700	2.7
124.81911	0.9
125.09657	4.2
129.07022	5.1
131.08568	31.7
131.88580	1.0
133.06485	1.7
133.10133	41.4
135.08081	4.4
135.11688	13.0
137.09673	2.7
137.13271	1.0
139.07533	2.7
141.07027	3.5
143.08589	5.0
145.06487	2.9
145.10110	23.9
147.08051	2.2
147.11682	18.3
149.09598	9.0
149.10455	0.8
149.13255	14.1
151.11203	2.2
153.09172	1.3
155.08563	3.5
157.10133	5.7
159.08124	1.4
159.11703	18.0
161.13277	5.9
163.11172	6.5
163.39346	1.0
165.09129	2.0
165.12749	1.4
167.08598	1.1
169.10124	3.5
171.11699	5.4
173.09650	1.6
173.13217	5.7
175.11226	1.8
177.12726	7.2
179.14293	17.8
183.11734	3.7
185.13261	1.8
187.11211	4.2
187.14806	1.5
189.11261	1.6
189.16495	1.2
195.13797	3.3
197.13295	4.0
209.13248	1.0
215.14317	1.7
219.13893	1.1
223.13185	1.1
227.12846	5.0
229.19508	2.9
230.44502	1.1
233.15453	1.8
239.18001	2.6
241.14328	1.5
247.20663	2.9
251.16483	2.8
257.19064	9.0
259.20596	1.2
259.49307	1.0
269.17581	1.7
275.20062	98.8
276.20456	2.5
279.15930	3.7
293.21204	8.1
299.23895	1.2
331.22797	1.2
349.23761	3.9
433.31061	1.3
447.27380	1.0
451.32239	3.3
469.33206	1.8
487.34549	1.1
510.04028	1.1
525.35760	8.6
543.36823	100.0
544.37201	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	544.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31188	0.6
55.01864	1.2
56.68982	0.6
58.55039	0.7
67.05505	2.5
69.03431	1.2
73.02922	0.7
76.11105	0.7
78.85448	0.7
79.05485	1.1
81.03449	0.9
83.08600	0.8
85.02905	3.2
85.30161	0.7
86.65988	0.7
91.05486	13.4
91.93906	0.7
93.07049	3.8
95.08617	6.8
96.96250	0.6
99.98784	0.7
101.02388	3.3
105.07030	1.0
109.02857	0.8
109.10168	6.0
119.04953	17.3
119.08585	19.6
121.02850	2.3
123.08050	0.8
137.09616	19.6
147.04414	100.0
147.08069	2.4
148.04758	1.4
149.06033	0.7
155.10698	1.3
163.11264	0.8
165.05435	1.8
165.09122	3.1
183.10182	2.2
201.11229	77.6
202.11565	0.8
297.38998	0.8
309.09583	1.2
401.40460	0.7
544.23816	2.6
544.31860	3.3
545.25055	1.7
545.33093	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14267	0.2
70.06605	0.8
81.03409	0.4
85.02900	0.3
91.05479	0.5
93.07105	0.4
98.23145	0.4
107.08609	0.4
121.02887	1.4
130.31126	0.3
140.91519	0.3
165.02982	0.3
251.16331	0.8
275.07336	0.5
293.17438	0.5
335.09583	1.3
383.20728	0.4
392.94705	0.4
413.21408	4.1
515.24658	0.9
527.24121	0.5
545.25793	100.0
546.25995	2.3
572.61243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95188	0.2
67.05508	0.4
69.07071	0.2
70.27016	0.2
70.27354	0.4
71.04985	0.2
81.07072	0.3
83.08618	0.2
85.06548	0.2
89.28513	0.2
92.47560	0.2
93.06995	0.2
94.36607	0.2
95.08567	0.3
100.43398	0.2
105.06329	0.2
107.08625	0.3
109.10158	0.6
135.11728	0.3
137.60599	0.2
177.05531	0.2
203.05295	0.3
233.15309	0.2
245.06226	0.2
275.07370	0.7
333.07770	0.9
335.05417	0.4
335.09464	7.7
383.20450	0.3
395.20212	0.3
413.21411	2.4
424.50064	0.2
515.24719	0.8
521.51514	0.2
527.24731	2.4
545.25702	100.0
546.25983	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	545.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34249	0.4
71.04996	0.4
71.46677	0.4
74.96507	0.4
79.05508	0.5
81.07050	1.1
85.69706	0.4
89.58096	0.4
92.20306	0.4
93.07022	0.5
95.08594	0.8
97.10214	0.4
105.07018	0.6
107.08636	0.8
108.95891	0.5
109.10172	0.6
120.29779	0.4
121.10143	0.6
126.22231	0.4
135.11665	0.6
140.30563	0.4
141.81819	0.4
147.04472	0.5
203.03374	0.5
348.18735	0.5
349.19421	0.5
383.27585	0.6
545.25439	3.6
545.32971	100.0
546.33319	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82447	1.4
53.03935	3.5
55.01863	2.6
55.05510	20.7
57.03446	7.3
57.07071	3.8
60.42510	1.3
65.03950	3.2
67.05508	55.3
68.05833	1.4
69.03417	3.3
69.07063	12.3
69.22566	6.9
69.35531	1.4
71.04993	4.4
71.08663	1.9
79.05494	47.8
81.03420	23.2
81.07058	53.2
83.04984	5.4
83.08632	13.3
85.02911	13.6
85.06566	3.7
88.07638	1.4
90.05569	1.2
91.05481	37.3
93.07050	44.5
95.04973	18.8
95.08604	31.6
96.08914	1.6
97.06544	5.0
97.10155	7.2
98.21111	1.2
99.08122	2.6
105.04535	2.5
105.07027	28.1
107.04985	4.3
107.08591	20.8
108.09914	1.3
109.06538	3.4
109.10149	12.1
111.08095	7.3
113.06019	2.0
115.05502	1.4
117.07025	8.2
119.06112	1.3
119.08579	22.1
121.06483	2.3
121.10150	16.9
123.08106	2.8
123.11740	4.8
125.09642	4.9
129.07016	8.0
131.08556	15.8
133.10130	15.5
135.08107	1.4
135.11693	9.2
137.09650	2.3
143.08583	4.1
145.10112	10.9
147.08035	1.8
147.11713	13.2
149.09648	3.2
149.13275	6.0
155.08598	2.8
157.10139	11.0
159.11711	7.7
161.13225	6.1
163.11177	3.0
163.14912	3.3
165.12767	1.8
169.10184	3.3
171.11734	2.6
173.13304	4.9
175.11221	5.9
175.14871	2.6
183.11700	3.0
185.13414	1.9
187.14697	3.0
193.12257	25.1
195.11740	1.4
195.13937	1.5
197.13278	1.4
198.08481	1.1
201.16463	1.7
211.13278	27.0
211.15056	2.1
226.99811	1.4
227.12811	2.2
228.23213	2.3
256.26453	3.0
256.44266	1.5
259.20575	4.3
261.22177	6.2
267.15952	6.7
269.17432	1.9
275.20325	2.5
277.21698	1.7
301.25305	3.0
333.24252	2.6
335.25812	4.5
435.32858	5.6
453.33774	6.0
471.34708	5.0
509.36453	2.0
527.37347	26.1
528.38092	1.8
545.38361	100.0
546.38739	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
53.03950	3.6
55.01874	2.7
55.05516	26.2
57.03443	7.6
57.07079	3.0
59.05002	1.6
65.03943	2.6
67.05511	60.9
69.03435	3.9
69.06712	1.6
69.07073	23.5
70.05244	0.9
71.04989	4.8
71.08646	2.9
75.66466	0.8
79.05500	51.9
81.03422	38.2
81.07065	54.7
82.07388	1.1
83.04993	10.1
83.08627	21.2
85.02909	17.8
85.06565	2.8
88.53625	0.8
89.06052	1.7
91.05486	46.0
93.07053	52.9
95.04978	20.6
95.08615	33.6
97.06554	6.8
97.10181	9.1
99.08092	2.3
104.13103	0.9
105.04536	4.0
105.07034	28.3
106.07359	1.2
106.45799	1.0
107.04935	4.7
107.08605	29.2
107.09344	1.5
109.06531	5.9
109.10164	13.8
111.04460	2.1
111.08086	7.3
113.06007	1.7
117.07053	9.4
119.08591	25.8
121.06542	2.6
121.10158	24.0
123.08092	3.3
123.11721	5.5
125.09646	4.0
128.06213	1.0
129.07030	9.6
131.08577	20.9
133.06519	2.1
133.08647	1.9
133.10147	19.9
135.08109	2.3
135.11713	11.6
137.09596	1.9
137.13280	1.7
142.07826	2.6
142.25906	1.0
143.08574	3.9
145.10130	11.7
147.08022	2.1
147.11702	14.5
149.09662	6.5
149.13239	4.8
151.11188	2.4
155.08568	2.1
157.10152	12.0
159.11662	7.1
161.13295	3.3
163.11150	1.7
163.14883	2.1
165.12816	2.1
167.08528	1.0
169.10153	2.4
171.11734	2.9
173.13281	6.2
175.11200	7.9
175.14835	2.6
179.14351	2.2
181.10156	1.0
183.11754	2.1
185.13290	2.1
187.14886	3.0
189.11264	2.1
193.12265	29.6
197.13271	2.5
199.14844	1.8
201.16475	1.3
209.13341	1.2
211.13287	38.2
227.12851	3.3
243.21120	2.0
261.22174	6.6
267.15958	8.4
273.22336	0.9
277.21649	2.0
285.22171	1.9
299.23447	1.5
301.25226	4.6
317.24738	1.5
335.25864	5.1
412.15231	1.1
417.31467	1.7
435.32648	3.8
453.33737	3.5
471.34708	3.0
474.31647	1.7
509.36090	1.8
527.37427	19.0
545.38409	100.0
546.38800	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.0
55.01878	3.6
55.05513	36.6
57.03445	13.4
57.07088	5.2
62.55247	1.6
65.03951	2.8
67.05506	79.9
69.07071	31.0
69.15347	1.7
71.05014	6.6
71.08636	4.0
71.57887	1.7
75.76231	1.8
77.03934	2.1
79.05492	65.3
81.03425	5.1
81.07059	93.6
83.04998	7.1
83.08620	18.0
85.06564	3.7
91.05478	63.3
93.07044	71.0
95.04984	12.2
95.08602	40.4
97.06539	9.1
97.10170	8.6
99.08124	3.7
105.04556	3.7
105.07030	56.5
107.04964	4.0
107.08589	40.1
107.09245	3.5
109.06542	3.9
109.10167	17.3
111.08117	7.2
115.05486	4.0
117.07029	26.5
119.08581	50.4
119.27852	1.9
121.06536	4.5
121.10155	29.9
123.08115	4.3
123.11758	8.0
125.09666	5.9
128.06241	4.3
129.06990	16.9
131.08563	42.8
131.09436	2.7
133.06526	1.6
133.10127	34.7
133.11014	2.7
135.08183	2.4
135.11710	20.9
137.09644	2.5
139.11234	3.3
141.07062	5.1
143.08569	26.7
145.10117	43.0
145.11200	2.7
147.08093	3.4
147.11690	31.7
149.09660	2.7
149.13249	21.0
151.11234	3.4
155.08522	11.3
157.10120	24.5
157.11192	2.2
159.11693	36.5
161.09673	3.8
161.13268	18.2
163.11284	4.6
163.14893	3.1
165.12851	2.2
167.08615	2.4
169.10138	13.9
170.10811	1.9
171.11693	23.6
173.13275	21.4
175.11304	2.0
175.14799	9.1
177.12854	4.3
181.10159	4.6
183.11687	17.0
185.09778	1.8
185.13263	19.0
187.14832	9.5
189.16371	1.9
193.10269	2.1
193.12323	4.3
195.11977	3.9
195.13898	4.6
197.13304	9.2
199.14838	11.1
201.12744	3.0
201.16357	3.6
207.11787	2.8
209.13367	7.1
211.13229	2.7
211.14941	5.1
213.16475	4.1
221.13365	3.2
223.14972	4.5
225.16420	3.3
231.21121	2.7
235.14688	2.6
237.16420	2.7
239.18079	2.4
241.19485	13.4
259.20578	26.8
261.22385	2.2
267.15982	5.9
269.17398	17.7
275.20502	2.0
277.21729	6.1
287.20200	2.5
289.21964	2.4
297.22318	4.5
299.23785	3.7
301.21881	3.0
309.22116	3.0
313.25320	2.9
315.23438	5.1
327.23032	2.0
329.24936	2.0
333.24286	13.0
353.24957	2.3
393.27014	1.7
407.33133	2.5
417.31876	5.4
423.32669	4.3
425.34351	6.4
435.32617	19.8
443.35535	2.6
453.33704	19.1
471.34750	22.5
499.38177	5.3
501.35681	2.6
509.36432	8.2
515.37732	5.7
517.38812	21.5
527.37317	100.0
528.37866	4.9
545.38550	68.1
571.19757	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01874	3.8
55.05513	20.3
57.03433	7.6
57.07068	2.0
65.03939	2.8
67.05505	50.9
69.03429	4.3
69.07071	12.7
71.04990	4.5
71.08633	0.9
76.42608	0.6
77.03888	1.4
79.05494	45.9
81.03420	31.4
81.03901	1.4
81.07057	48.4
83.04987	8.6
83.08620	15.8
83.09102	1.2
85.02904	17.1
85.06545	1.9
91.05480	38.2
93.07043	42.1
95.04970	21.9
95.08607	27.3
97.02892	1.7
97.06509	4.3
97.10168	5.9
99.08099	1.4
103.05481	0.9
103.54200	0.6
105.04514	4.1
105.07032	26.9
107.04958	3.0
107.08595	20.4
109.06532	4.0
109.10155	11.1
111.04469	1.6
111.08080	6.8
113.06023	1.6
115.05473	1.3
117.07025	7.5
117.35985	0.7
119.08585	20.8
119.09419	1.2
121.06508	2.7
121.10148	19.1
123.08103	2.8
123.11714	4.0
125.09623	3.3
127.07620	0.6
128.06221	1.0
129.07018	8.2
131.08571	15.2
133.06522	2.7
133.10132	14.3
135.08040	0.9
135.11687	9.9
137.09619	1.4
137.13216	0.8
141.06998	1.2
142.07820	2.2
143.08539	3.4
145.10149	7.7
147.08067	1.3
147.11687	12.8
149.09641	4.0
149.13242	5.7
151.11206	1.3
155.08539	1.5
157.10120	9.3
159.11710	5.6
161.09671	0.7
161.13240	3.9
163.11214	1.6
163.14832	1.2
165.12822	1.9
169.10153	1.5
171.11707	1.8
173.13226	4.7
175.11183	7.6
175.14865	2.4
177.12781	0.8
179.14320	1.7
183.11786	1.2
185.13307	1.2
187.14902	2.2
189.11264	1.6
189.16371	0.9
193.12245	30.4
195.11868	1.1
197.13255	1.0
199.14798	0.7
201.12656	0.7
201.16409	0.8
211.13275	33.9
215.18027	0.7
221.13165	0.6
227.12785	1.4
229.14397	0.9
243.21156	1.0
261.22119	5.7
267.15994	4.7
277.21707	1.1
285.16885	1.1
285.22150	1.3
301.22382	0.7
301.25217	3.5
303.23111	0.8
317.24939	1.2
335.25769	3.2
341.38165	0.6
435.32608	3.0
453.33725	3.2
471.34827	2.3
509.36398	1.1
527.29456	0.8
527.37341	15.6
528.37250	1.1
534.04437	0.6
545.38409	100.0
546.38800	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55492	1.4
51.77814	1.4
53.03938	2.9
55.01868	5.0
55.05513	27.0
57.03445	11.7
57.07069	3.1
59.78060	1.6
67.05505	66.8
69.07065	25.5
71.04993	3.9
72.65950	1.4
73.06557	1.3
79.05493	51.1
81.03420	5.3
81.07056	81.8
83.04979	5.8
83.08624	15.6
85.06545	4.8
91.05476	43.4
93.07047	57.4
93.07519	1.3
95.04971	11.7
95.08604	41.7
97.06509	8.0
97.10175	7.9
98.23424	5.9
99.08099	2.3
105.04523	3.0
105.07031	48.5
105.07745	2.9
107.04990	2.1
107.08593	32.5
109.06520	2.5
109.10145	15.7
111.08093	5.6
115.05419	2.7
117.07020	17.0
119.08579	36.4
119.09418	2.1
121.06507	2.7
121.10132	24.6
123.08090	3.8
123.11716	7.1
125.09595	3.9
128.06264	3.3
129.07010	12.0
131.08574	30.5
133.06503	1.7
133.10135	31.5
135.08087	3.8
135.11700	16.5
137.09642	2.7
137.52081	1.7
139.11172	2.4
141.07013	3.0
142.07788	4.2
143.08565	24.2
145.10133	35.8
147.11679	25.1
149.09645	3.2
149.13257	17.3
151.11255	1.5
155.08536	8.6
157.10143	24.9
159.11702	34.2
161.09627	2.5
161.13280	19.4
163.11142	2.3
163.14806	3.3
165.12744	2.5
167.08429	1.8
169.10118	10.4
171.11690	23.2
173.09683	1.6
173.13245	19.3
175.11198	2.6
175.14842	8.6
177.12743	3.4
181.10101	4.3
183.11682	11.5
185.13251	19.0
187.14810	9.5
193.12312	2.3
195.11697	5.0
195.13850	4.5
197.13310	9.3
199.14807	11.4
201.16386	5.5
207.11755	1.7
209.13391	3.9
211.14687	3.1
213.16388	4.7
215.17960	1.8
223.14835	4.4
225.16498	2.0
231.21039	2.9
235.17059	2.0
237.16391	2.9
241.19518	16.2
255.20988	1.9
257.18903	2.0
259.20544	30.2
261.22235	3.6
267.15805	9.4
269.17374	25.4
277.21725	2.1
280.47635	1.9
285.22125	2.3
287.20099	1.7
297.22128	2.6
299.23676	2.7
301.21936	2.5
301.25314	4.7
303.23026	1.8
311.23593	3.0
315.23184	4.7
317.24741	2.7
323.23770	1.7
327.23233	3.8
329.24738	3.2
333.24265	18.2
335.25830	2.6
337.25125	2.1
353.24863	2.0
355.26178	2.1
407.33197	3.4
417.31638	3.8
423.32684	5.3
425.34030	4.6
435.32410	18.3
443.35504	2.3
453.33676	16.7
471.34711	16.8
499.37784	4.6
509.36206	6.5
515.37653	8.2
517.38867	27.0
527.37317	100.0
528.37476	4.5
545.38318	66.4
546.39136	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	545.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.7
51.26535	1.4
53.03951	4.2
55.01879	4.4
55.05511	31.8
57.03441	12.9
57.07076	4.2
59.05001	1.8
65.03938	3.8
66.91278	1.1
67.05511	87.8
68.17543	1.1
69.03435	2.4
69.07072	28.2
71.04986	6.3
71.08633	2.3
77.03963	1.6
79.05503	60.8
79.90125	1.2
81.03425	14.8
81.07063	100.0
83.04971	6.6
83.08624	24.3
83.09100	1.9
85.06559	5.7
86.09677	1.4
91.05487	65.3
93.07052	73.4
95.04977	18.4
95.08614	48.4
95.09219	2.6
97.06536	10.0
97.10161	11.6
98.22707	4.2
99.08092	6.2
103.05462	1.4
105.04550	2.8
105.07043	54.2
107.04974	6.3
107.08601	42.7
109.06551	4.8
109.10168	20.1
111.08121	4.8
115.05492	2.9
117.07026	26.4
119.08586	45.1
119.09415	2.3
121.06503	7.0
121.10146	26.1
121.10970	1.7
123.08090	3.1
123.11739	10.0
125.09661	8.9
128.06226	2.7
129.07011	12.8
131.08572	33.6
133.06587	2.2
133.10138	43.9
135.08080	4.6
135.11707	23.7
137.09668	1.8
137.13319	1.5
139.37572	1.3
141.07028	3.2
142.07747	2.4
143.08569	13.5
144.09351	2.3
145.10139	24.0
147.08075	3.4
147.11700	35.0
149.09641	3.3
149.13281	19.0
151.11124	2.4
155.08601	4.8
156.09438	1.4
157.10149	13.6
159.11694	26.2
159.12932	1.9
161.09587	1.9
161.13255	20.0
163.11237	3.8
163.14880	3.5
164.70799	1.7
165.12788	2.5
167.08661	1.7
169.10179	5.4
171.11690	11.3
173.11836	2.5
173.13271	12.5
175.11273	3.0
175.14836	7.9
177.12823	4.5
179.14328	1.6
181.10234	3.0
183.11771	6.0
185.13242	8.4
187.11205	1.7
187.14911	5.2
189.11282	5.4
189.12820	2.9
189.16309	1.4
193.12331	4.6
195.11977	2.7
195.13890	13.6
197.13293	3.2
199.14928	5.1
201.16406	1.8
203.17915	1.5
205.46458	1.2
209.13286	1.3
211.14958	2.4
213.16493	3.0
215.18080	2.3
217.19499	1.9
221.13335	1.6
225.16545	1.7
227.12898	4.0
231.21190	3.7
241.19548	22.3
243.21172	3.5
257.19025	1.8
259.20605	44.3
261.22189	9.9
267.15912	17.8
267.18347	1.5
269.17459	44.2
274.96198	1.2
275.20224	2.3
277.21707	3.8
279.23346	1.6
285.22214	3.1
287.20346	2.1
297.22269	1.9
301.25394	4.9
315.23318	4.3
315.74780	1.2
317.24966	2.2
327.23267	2.2
333.24274	36.9
335.25974	6.4
343.23105	1.2
356.18536	1.2
391.51035	1.4
417.31512	3.3
425.34528	2.0
435.32523	11.8
453.33630	12.8
460.32294	1.6
471.34598	10.3
486.26700	2.9
501.35770	2.6
509.36514	6.2
517.39124	2.3
527.37378	72.3
528.37469	2.3
545.38483	78.6
546.38934	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01879	4.6
55.05512	29.3
57.03436	9.0
57.07069	4.0
59.05005	1.5
65.03938	2.5
67.05502	64.0
69.03431	4.0
69.07067	15.8
69.08077	2.3
69.08489	5.6
71.04993	4.3
71.08618	3.5
76.74165	1.0
77.03931	1.0
78.66255	1.0
79.05489	41.4
81.03414	25.0
81.07055	57.8
83.04980	6.0
83.08617	20.7
85.02902	1.9
85.06535	2.7
86.69779	1.0
91.04948	0.7
91.05473	31.7
93.07038	39.2
95.04961	24.4
95.08597	36.5
95.09213	1.4
97.06530	5.8
97.10166	16.5
99.08118	3.3
105.04536	2.6
105.07019	30.2
107.04958	7.5
107.08595	28.4
107.09332	1.1
107.48602	1.0
109.06548	5.7
109.10144	21.3
111.08089	5.7
113.68469	1.0
115.05412	1.8
117.07015	13.8
119.08571	23.9
121.06484	6.0
121.10131	18.5
123.08103	4.1
123.11684	7.6
125.09625	14.2
129.07013	8.0
131.08556	23.3
133.06517	1.8
133.10127	19.9
135.08067	7.6
135.11682	14.8
137.05998	1.1
137.09618	3.3
137.13278	1.7
142.07777	1.9
143.08548	7.3
145.06477	2.0
145.10115	17.4
147.08093	3.1
147.11652	13.5
149.09642	4.2
149.13242	7.7
151.11240	2.6
153.09125	2.8
153.12810	1.2
155.08575	3.2
157.06538	1.6
157.10110	9.6
159.08089	2.9
159.11687	10.8
161.09593	3.0
161.13246	6.3
163.11238	3.7
163.14774	2.4
169.10133	4.2
171.11641	6.3
172.35651	1.1
173.13248	7.7
175.11302	3.3
175.14851	4.8
177.16425	1.4
179.14290	1.6
181.10120	1.9
183.11707	4.0
185.13289	5.6
187.13354	1.3
187.14798	5.2
189.11200	7.8
189.16400	2.5
193.12199	11.4
195.11674	1.6
197.13281	2.8
199.14867	2.6
201.16432	2.6
203.14340	1.4
205.12460	1.0
207.11931	1.0
209.13219	1.8
211.14897	2.6
213.16386	2.5
221.15271	1.3
223.15059	1.3
225.12959	1.3
227.12714	10.4
233.15448	2.5
243.21114	3.3
247.17006	1.4
247.20828	1.1
259.20578	2.0
261.22092	14.1
267.15869	20.8
269.63925	1.1
273.22269	1.4
275.19861	1.2
277.17987	1.0
277.21667	2.5
279.23178	3.7
283.24182	2.3
285.22275	3.3
287.20172	1.3
299.23767	2.2
301.21902	2.0
301.25214	15.4
303.23221	2.2
317.24811	2.5
329.21170	1.9
335.25793	18.1
341.86554	1.2
357.27808	2.1
359.26001	1.6
373.27310	1.4
417.31418	2.1
421.25897	4.2
435.27332	3.0
435.32614	6.6
436.32709	1.2
453.33569	12.7
471.34692	8.8
509.36472	3.0
527.37299	55.4
528.37689	2.0
545.38367	100.0
546.38599	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01869	18.3
55.05258	2.9
55.05512	38.9
57.03440	29.5
57.07075	3.4
61.36609	2.6
65.03947	2.5
67.05505	49.5
69.03428	10.0
69.07066	14.7
71.04991	5.8
73.02924	5.1
79.05492	42.9
81.03416	79.5
81.03904	4.1
81.07056	48.0
82.04193	5.9
83.04978	32.9
83.08617	32.0
84.05766	2.4
85.02911	24.0
85.06523	2.5
91.05487	53.7
93.07048	36.4
95.04971	42.2
95.05538	3.8
95.08613	18.6
97.02878	5.9
97.06522	8.8
97.10158	16.3
98.07317	4.7
99.08115	2.4
105.04530	4.0
105.07029	34.0
107.04955	13.3
107.08598	20.0
109.06513	6.6
109.10150	10.8
111.04501	4.8
111.08072	14.3
113.06011	3.7
116.04700	13.2
117.07005	6.1
119.08590	27.8
121.06500	6.6
121.10143	16.1
123.08054	12.4
123.14214	2.2
125.09633	18.2
129.05490	42.9
129.06970	17.3
131.08583	16.3
133.06447	3.9
133.10156	16.8
135.08089	5.3
135.11659	5.5
137.09679	4.4
143.07030	7.1
145.10115	7.8
147.08069	5.2
147.11685	19.5
149.09650	8.7
153.09061	3.2
157.08609	16.4
157.10130	13.6
163.11200	6.9
165.12852	2.9
171.06544	2.4
171.10204	4.6
173.11810	2.0
175.11185	21.0
189.11298	7.5
191.10689	3.2
193.12231	62.5
199.13292	9.2
200.14171	2.3
209.11739	6.4
211.13293	100.0
227.12799	14.5
267.15930	25.7
283.15375	7.8
284.16052	2.7
285.16974	82.4
301.16437	95.6
380.12799	2.5
405.30078	9.2
439.26410	2.4
452.32446	2.8
476.27444	2.4
477.28543	4.8
493.27798	9.8
494.28436	7.8
511.29089	50.9
512.29108	2.6
535.77350	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96479	1.2
53.03942	2.4
55.01861	4.2
55.05511	16.3
57.03438	11.3
57.07065	1.8
59.04998	2.5
65.03938	1.4
67.05502	61.9
69.03421	5.1
69.07072	9.6
69.45073	3.4
69.45466	2.7
71.04995	32.6
73.02935	1.3
79.05491	32.3
81.03416	39.7
81.07054	100.0
82.07401	1.6
83.04984	15.0
83.08617	17.3
85.02913	13.3
85.06541	8.6
91.05478	44.2
93.07040	31.0
95.04970	21.8
95.08605	14.2
97.06531	8.9
97.10163	5.0
98.23449	3.1
99.08079	1.9
102.21329	1.3
105.04494	1.6
105.07024	27.6
107.04955	5.0
107.08590	18.1
109.06522	5.0
109.10152	9.2
111.04469	1.7
111.08061	8.1
113.06002	2.8
117.07041	5.3
117.08039	1.2
119.08557	15.7
121.10117	9.7
121.45486	1.5
123.08080	2.4
123.11695	14.8
129.07019	8.0
131.08580	12.6
133.06544	1.7
133.10126	28.6
135.11725	3.5
137.09663	2.3
142.07742	2.6
145.10147	2.4
147.08017	3.4
147.11678	11.7
149.09622	4.5
149.13243	6.2
149.20877	1.4
151.11176	7.6
157.10106	10.9
159.11693	5.4
163.11119	2.2
165.12746	2.4
169.12302	2.2
175.11227	12.2
183.13815	5.1
187.13261	6.9
193.12244	25.6
195.13902	3.7
201.14914	1.5
211.13290	30.9
224.73894	1.3
225.14833	3.0
243.15881	3.8
257.17371	1.6
267.15860	17.4
269.17477	12.0
285.16965	28.5
296.26889	1.3
301.16626	2.2
301.20050	33.9
350.41467	1.4
374.70801	1.8
434.50504	1.8
435.27429	34.0
443.27429	2.1
453.28424	79.9
454.28867	3.4
461.29044	24.7
467.30109	10.7
479.23654	2.7
479.29953	26.7
493.31268	2.6
511.32755	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	546.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.8
55.01883	2.0
55.05518	7.8
57.03443	11.6
57.07096	1.1
61.65090	1.0
65.03947	1.3
67.05513	31.0
69.03446	1.2
69.07072	11.4
69.45490	1.0
71.05003	3.8
77.03960	1.1
79.05499	19.4
81.03429	50.3
81.07066	38.4
83.04987	4.5
83.08625	16.5
85.06552	1.5
91.05496	16.6
93.07057	26.2
95.04988	16.3
95.08607	9.6
97.02911	1.4
97.06533	6.2
97.10197	1.3
98.22820	4.7
98.23505	2.1
99.08101	2.3
105.07059	10.5
107.04990	1.8
107.08619	15.2
109.06522	2.8
109.10152	1.5
111.08089	6.7
117.07056	4.1
119.08614	7.5
121.06502	2.2
121.10169	11.0
122.10694	1.1
123.08075	1.3
123.11725	2.2
129.07056	4.2
131.08592	9.0
133.06488	1.7
133.10170	6.6
135.11739	3.1
139.11241	1.2
147.11690	6.5
149.09645	3.3
149.13245	12.8
150.36729	1.2
157.10162	4.8
159.11720	6.9
175.11269	4.8
177.12825	3.1
193.12262	13.3
195.13849	4.6
211.13348	2.1
249.14877	1.9
267.15936	55.5
269.17508	53.8
270.17883	1.6
314.10626	1.2
369.24026	1.9
435.27164	2.0
453.28448	1.6
461.29016	100.0
462.29343	3.3
479.30118	3.4
546.39227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57359	0.5
69.22676	1.2
69.23083	2.5
71.23793	0.5
75.98967	0.5
98.23181	2.5
100.41779	0.5
107.04960	0.7
118.97966	0.5
127.61977	0.5
144.53040	0.5
156.44086	0.5
185.04210	2.7
201.23340	0.5
223.09428	100.0
224.09784	1.6
385.14719	75.0
386.15027	1.9
497.18036	0.6
547.20007	93.9
548.20715	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	547.2155
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
59.63496	0.4
60.51740	0.4
68.79926	0.4
68.89145	0.4
69.03403	0.4
70.35170	0.9
70.35526	0.5
79.05500	0.4
85.02897	1.5
87.28726	0.3
93.83883	0.4
97.02905	0.5
103.67619	0.4
111.04189	0.5
121.06560	0.6
121.10213	0.4
123.08073	0.8
147.07930	0.5
159.04179	2.6
165.09058	0.6
170.03078	0.4
178.60185	0.4
185.04276	0.5
205.12248	0.9
223.09444	0.8
223.13239	1.5
261.22269	0.4
347.09622	2.0
384.15430	0.5
385.16223	2.0
385.21866	0.6
547.21307	100.0
548.21704	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	547.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62329	0.6
60.77824	0.6
60.90008	0.7
64.52896	0.6
75.82600	0.5
81.07059	1.2
85.02894	1.1
88.70277	0.7
92.35224	0.6
93.07049	0.8
98.23092	5.6
109.10162	0.8
116.64006	0.6
119.08574	0.7
131.61098	0.7
148.02997	0.6
184.03510	0.6
202.16164	0.7
313.16135	3.1
349.11066	1.7
367.24698	0.9
401.21445	1.9
459.15918	1.2
459.22058	19.2
547.26923	100.0
548.27209	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	547.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.7
71.44897	0.6
74.93857	0.5
81.07059	1.0
85.02924	0.7
93.07063	0.6
97.02914	0.6
109.10168	0.9
112.71277	0.5
119.08572	0.8
121.77261	0.5
123.11811	0.5
129.05472	0.6
137.18951	0.6
160.91702	0.5
373.00305	0.6
547.34521	100.0
548.34796	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	548.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
61.02902	0.3
63.02394	0.5
66.45724	0.1
69.03428	0.6
69.60559	0.6
74.06071	0.2
78.04708	0.2
81.03425	0.4
83.74133	0.1
85.02902	2.7
87.85707	0.1
89.03914	4.0
91.03908	0.2
91.05499	0.2
91.15866	0.1
97.02899	0.7
98.22687	0.2
106.04164	0.2
109.02916	0.1
117.03382	13.2
118.03703	0.3
127.03898	0.3
134.03636	1.1
135.04425	0.8
141.85309	0.1
145.02846	40.2
146.03169	0.5
147.04308	0.1
149.05978	4.9
162.03198	0.2
163.03922	0.5
177.05469	100.0
178.05812	1.3
186.05496	0.6
195.06514	0.2
224.01578	0.1
229.75192	0.1
272.27917	0.1
348.04224	0.2
369.11783	0.6
394.98569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01875	0.8
55.05515	2.7
57.03440	11.8
59.05001	0.6
61.02939	0.7
65.03944	1.3
67.05497	0.6
69.03432	3.6
71.01363	0.8
71.04994	74.4
73.02914	2.6
75.04479	6.0
75.16063	0.6
79.05496	1.0
81.03420	2.2
81.07059	2.1
83.04982	11.8
83.05443	1.0
85.02907	100.0
85.06545	11.0
87.04459	2.2
91.05480	0.6
93.07038	1.7
95.04996	1.7
95.08595	1.3
97.02897	4.8
97.06523	1.4
99.04461	1.9
101.06024	1.1
103.03950	1.2
105.07013	1.1
107.08617	1.1
109.02863	1.0
109.06511	1.6
111.04439	6.5
113.06024	1.2
117.07020	0.8
121.02868	25.6
121.06499	0.6
123.08117	0.8
125.06092	0.7
127.03907	5.0
129.05481	45.6
133.06554	0.7
135.08067	2.1
137.06003	0.7
139.03902	45.5
139.07559	1.2
145.04974	5.3
146.08188	0.6
147.06525	30.1
149.02367	0.8
149.09619	1.6
151.07587	1.7
163.06024	1.8
164.09215	2.1
167.10735	1.1
169.08672	0.7
177.09131	2.6
195.10159	2.1
205.08600	0.8
211.09669	0.6
213.11201	4.6
225.07570	1.2
229.10744	1.9
231.12357	1.0
255.08705	2.0
273.09732	1.4
309.11844	2.6
335.17810	0.6
548.35114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20151	4.1
54.88127	3.9
55.01867	5.9
56.96580	6.1
57.03442	11.3
60.84000	3.7
61.02939	14.0
67.05515	4.2
69.03445	27.3
71.05001	53.6
73.02922	6.7
81.03433	12.3
85.02913	100.0
87.04514	5.6
89.02404	5.0
91.03971	7.7
95.04981	9.0
97.02893	36.1
98.97626	19.0
99.04479	6.3
109.02885	10.5
113.06028	48.1
119.01935	10.1
122.62914	4.6
127.03930	26.4
128.74574	3.9
131.01894	6.9
131.07043	68.0
131.95779	4.6
137.02809	4.3
143.01901	7.8
145.03520	9.8
145.05014	23.9
148.37772	4.3
153.01869	19.1
155.01913	8.4
158.99701	4.6
161.02974	17.4
163.03938	12.3
166.07460	4.0
173.03003	6.3
175.04460	12.6
182.03505	5.6
185.03082	6.6
191.03809	5.3
195.05096	9.2
203.03975	7.6
205.48477	4.1
211.02931	8.3
213.06145	34.2
214.95488	13.2
219.01755	7.4
221.05125	27.6
229.03819	10.1
229.05711	10.6
232.96512	22.6
237.02892	9.4
245.05156	18.6
247.06659	41.6
255.07167	6.7
256.07025	6.0
256.96484	5.7
257.57227	7.3
263.05795	6.0
274.97577	4.9
286.97589	9.0
299.43146	4.3
309.04471	12.8
312.09839	15.4
312.59897	13.3
313.05939	7.5
322.05908	8.3
322.09259	22.2
333.10336	18.6
335.00162	5.1
411.07776	13.2
489.05997	21.3
513.10736	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	550.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28154	0.8
55.01895	1.2
56.23597	0.9
57.03449	1.5
58.01682	0.9
61.02930	2.3
69.03436	4.3
70.36287	1.7
70.36625	1.0
75.91618	0.9
85.02910	15.6
89.03927	1.0
90.38229	0.8
90.80973	0.9
95.01332	1.7
97.02908	3.1
99.04444	1.6
101.02444	1.0
107.04958	2.0
109.02913	1.2
117.03387	2.6
123.04473	1.1
127.03943	3.1
129.81596	0.9
131.04980	1.2
135.04420	9.8
136.78186	0.9
138.03073	1.3
139.03928	4.0
141.01851	1.2
145.02847	7.4
145.04987	1.9
147.04407	3.8
149.02362	3.3
153.05467	100.0
159.04482	1.1
163.03905	95.6
175.03938	3.5
177.01802	4.5
177.04039	2.3
177.05460	2.9
181.04999	4.2
187.04041	1.3
189.05457	4.2
191.03453	1.1
195.06516	55.0
203.03387	52.2
205.04939	5.7
215.03389	8.2
217.04973	1.5
221.04488	1.2
229.05063	2.4
231.02887	7.6
233.04471	6.8
257.04425	1.3
261.03934	7.8
275.05551	3.5
279.04996	13.4
291.04971	15.6
293.06418	1.2
303.04993	2.5
313.44678	1.0
321.06039	12.4
339.07111	69.6
371.09744	8.0
537.30237	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	550.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05516	4.0
57.03445	5.0
61.02925	1.7
67.05508	2.8
69.03447	3.3
69.07070	3.3
69.14478	7.5
71.05000	36.7
73.02930	4.4
75.04487	2.6
79.05497	4.3
81.03444	1.7
81.07067	5.7
83.04990	8.2
83.08633	3.9
85.02913	63.1
85.06563	2.0
87.04485	4.6
91.05489	3.1
93.07056	3.7
95.04979	12.6
95.05484	1.6
95.08630	4.0
97.02905	5.6
97.06532	1.6
99.04459	8.1
100.11301	1.7
105.07043	6.1
107.08599	37.6
109.02901	2.2
109.06528	6.0
109.10149	1.2
111.04481	4.0
119.08604	7.3
121.10158	10.4
123.08078	82.0
123.11743	5.2
125.06036	2.8
125.09627	22.5
127.03935	5.4
129.05479	13.9
131.08583	4.4
133.10143	7.9
133.98888	1.4
135.08011	2.4
135.11797	1.4
139.11169	4.4
145.05009	6.6
145.10121	1.8
147.06531	6.4
147.11700	12.6
149.09627	34.1
151.07559	4.2
151.11259	1.6
159.08060	1.3
161.13309	1.5
163.05994	1.9
165.09137	3.0
165.12773	4.8
167.10707	13.8
173.13289	6.0
175.14902	4.1
177.05438	1.3
183.13820	2.7
189.12770	7.2
191.10762	1.5
191.14331	12.3
207.13821	15.5
209.15332	2.3
221.15349	1.9
225.14868	100.0
226.15309	1.8
233.11896	1.4
235.13228	3.2
237.14990	2.2
249.14879	15.6
267.15930	3.6
279.15982	1.7
291.15982	4.1
333.17145	3.7
335.18643	2.4
335.22302	3.1
351.18137	2.3
353.19580	3.8
371.20575	2.1
387.20218	1.3
550.21277	5.2
550.35004	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	551.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26174	0.8
66.73301	0.8
72.31223	0.9
97.79011	1.1
98.22662	1.6
105.41547	0.8
117.77415	0.9
118.34412	0.8
127.78694	0.7
142.98837	0.8
146.10359	0.8
171.83498	0.9
215.11526	1.0
245.97479	0.8
252.21754	0.9
316.38724	0.9
390.59290	0.9
450.65677	0.9
551.26251	100.0
552.26947	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	551.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08178	1.6
61.77027	0.9
64.25528	1.0
66.31819	1.0
67.05499	1.0
71.42641	0.9
73.51725	1.1
78.70546	0.9
79.01612	4.1
79.05482	1.6
81.03369	1.0
81.07030	1.0
104.10745	1.7
104.16631	1.0
105.07050	1.4
118.75526	1.0
120.59504	1.0
128.57275	1.0
131.08540	1.4
138.02908	3.0
139.03693	7.2
153.05220	3.0
184.07329	1.4
198.05023	1.5
211.05823	3.7
221.11519	1.6
223.13066	8.3
225.07436	2.0
251.12563	9.6
253.10603	1.2
267.12170	3.6
281.13654	2.9
282.14539	1.7
307.15112	10.9
323.14594	5.0
336.15262	1.3
337.16254	3.8
349.16132	2.6
366.16431	8.3
379.17325	12.5
393.18896	3.5
407.20016	1.9
421.25412	1.6
449.25180	4.3
450.25903	4.4
463.26733	1.3
489.28287	1.3
533.27307	2.0
551.28278	100.0
552.28687	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	551.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26471	1.9
81.07034	3.3
104.02166	2.0
386.09909	2.5
449.36728	2.6
450.23563	4.1
479.24054	4.6
528.65167	2.7
536.52881	2.5
551.29742	100.0
552.29938	3.4
575.65320	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	551.3194
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
50.77296	0.3
51.52409	0.3
55.05498	0.4
57.03431	0.6
59.05000	0.3
63.36043	0.3
64.03735	0.3
67.05502	2.2
68.79620	0.2
69.07067	0.8
69.22526	1.0
69.22936	0.6
70.58894	0.3
71.04993	0.4
71.08607	0.3
79.05489	1.5
81.03429	0.7
81.07056	2.1
83.08601	0.5
85.84789	0.3
91.05486	1.1
93.07046	2.0
95.04963	0.5
95.08604	0.8
105.07026	0.5
107.08592	1.2
117.07015	0.4
119.08605	0.5
121.10147	1.1
130.72940	0.3
131.08595	0.6
133.10167	0.4
139.09993	0.3
142.07895	0.3
149.09682	0.9
149.13203	0.8
159.11734	0.4
159.49031	0.3
175.11026	0.3
184.01534	0.3
200.15735	0.3
233.11386	0.6
235.13046	1.7
267.15860	0.7
269.17615	0.6
272.71558	0.3
283.15152	10.2
291.15622	1.4
299.18164	0.3
339.17764	5.6
551.31897	100.0
552.32239	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	551.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27221	0.3
54.31901	0.3
54.39529	0.4
57.03450	0.6
58.86300	0.4
59.37370	0.5
67.05505	1.6
67.55343	0.4
68.14140	0.4
70.14355	0.9
71.04985	1.5
73.58737	0.4
79.05491	0.9
81.07056	2.4
83.08628	0.7
85.02910	0.7
91.05466	0.7
93.07047	0.7
95.05000	0.9
95.08595	0.5
105.07034	0.7
107.08582	0.8
108.54499	0.4
114.65839	0.4
119.08583	0.4
121.10134	0.6
132.73419	0.4
133.10133	1.2
151.11159	0.6
152.82994	0.4
159.11723	0.7
183.13718	0.6
251.12572	2.9
267.15594	4.0
268.16040	0.4
307.15302	1.3
323.18390	4.0
376.30560	0.4
399.15588	0.4
551.31909	100.0
552.32196	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	552.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60318	0.4
55.05521	1.2
67.05518	0.7
69.07080	0.4
79.05512	0.5
81.03404	0.4
81.07064	1.2
85.02914	0.7
91.05523	0.7
93.07056	1.2
94.06595	1.4
95.04999	0.4
95.07362	1.2
95.08602	0.8
96.08139	3.5
96.77897	0.4
97.02860	0.4
97.06605	0.4
98.23601	0.8
100.11246	2.5
105.07050	0.4
107.08577	0.7
108.08131	2.9
109.10181	1.1
110.09690	5.8
117.97562	0.4
119.08614	0.7
120.04469	2.8
120.08132	4.0
121.10156	0.5
122.06063	0.8
122.09730	0.5
123.04449	0.8
123.11813	0.5
124.07594	1.0
125.47478	0.4
133.10184	0.6
136.03854	0.4
136.07581	3.5
138.09157	8.8
146.05997	0.7
147.11702	0.4
148.07579	1.2
148.40768	0.4
150.05522	0.5
150.09178	0.8
152.07094	0.9
164.07155	0.6
165.12823	0.5
166.08672	6.7
176.10744	0.5
180.10229	0.5
182.11710	0.5
182.15405	0.8
194.08214	1.3
196.10027	0.6
210.14963	0.9
211.08707	0.9
212.09456	0.6
213.10176	0.8
218.08217	0.5
221.10764	0.5
222.08080	0.6
223.08646	0.7
223.12347	0.7
224.09454	1.2
225.10225	2.3
226.10886	0.7
227.11797	0.7
233.10814	0.6
235.08699	1.6
236.09435	1.1
237.10277	6.4
238.10965	1.9
239.08173	1.4
239.11810	3.5
240.12535	0.8
241.09729	0.7
248.09441	1.7
249.10275	4.9
250.11147	1.4
251.08278	2.5
251.11830	4.4
252.09079	1.0
252.12451	1.2
253.09727	4.7
254.10547	0.6
255.11250	1.0
261.10306	2.5
263.08374	0.5
263.11887	3.4
265.09781	8.0
265.12610	0.7
265.13632	0.4
266.10532	1.2
267.11279	4.7
268.12015	0.7
269.09186	0.9
269.13120	0.5
271.10809	2.0
277.09641	2.1
278.06781	0.6
278.10547	3.6
279.07770	3.5
279.11349	9.2
279.14032	0.3
280.12143	1.5
281.09308	2.8
281.12909	2.0
282.10083	0.9
283.10809	6.1
283.13831	0.6
285.12436	0.5
287.13995	1.5
289.09772	4.9
291.11420	2.0
293.09320	1.6
293.12967	3.1
294.10056	4.1
294.13345	0.7
295.10794	3.4
295.13971	0.6
296.11615	2.4
297.08948	0.8
297.12384	1.2
299.10291	1.2
306.10110	0.9
307.10883	2.1
308.11462	0.8
309.12396	2.7
310.13211	0.5
311.10342	6.7
311.13986	2.0
312.11136	2.4
313.11728	2.2
314.12656	1.8
315.13525	0.5
317.09241	1.4
319.06958	0.5
319.22806	0.6
321.12460	0.6
323.10361	1.3
323.13959	1.2
324.11047	2.3
325.11874	1.3
326.12619	4.7
327.13409	7.8
328.13739	0.5
335.06400	0.8
335.10266	7.7
337.11816	0.8
339.13431	46.2
340.10263	2.0
340.13922	1.2
352.10721	1.0
354.12140	4.9
355.12897	12.4
356.13272	0.7
367.12918	30.2
368.13269	1.4
371.12259	0.7
372.17230	0.5
386.14743	0.6
387.15509	1.1
399.15848	0.8
436.18484	0.5
442.17395	0.6
444.19406	0.5
451.21158	1.0
460.18527	1.0
476.21802	0.6
479.20541	2.0
488.18204	12.2
491.29373	0.6
491.79224	3.3
492.21375	4.6
492.29422	1.2
502.19720	0.7
520.20850	100.0
521.21051	4.4
538.22058	1.0
552.23389	10.8
552.45178	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	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22827	0.3
51.49316	0.3
55.05523	0.5
57.03436	3.4
59.05004	0.4
61.02911	1.1
67.05499	0.7
69.03431	8.4
69.07059	1.0
69.43484	1.6
71.01359	0.9
71.04982	1.3
73.02917	6.1
79.05475	0.7
81.07061	2.2
83.04986	0.7
83.08609	2.4
85.02904	6.0
85.06541	0.7
93.07055	3.3
95.04942	0.7
95.08598	5.5
97.02892	19.5
97.06519	1.3
99.04451	0.9
105.07008	1.7
107.08591	4.7
109.02898	0.4
109.06529	2.5
109.10134	0.9
111.04464	0.5
111.08057	1.3
115.03937	2.6
119.08609	2.0
121.10136	5.5
123.08078	3.6
125.06009	1.0
125.09650	2.0
127.03919	1.1
133.04955	1.0
133.10133	0.5
135.11694	4.0
137.09599	2.4
139.07555	0.6
139.11174	2.7
145.04887	0.7
145.10103	2.8
147.08023	1.1
151.87952	0.4
153.12759	2.1
159.11606	0.5
163.11165	4.5
165.09106	6.6
175.14812	1.1
177.12724	0.7
181.12233	21.3
205.12221	1.5
223.13287	100.0
224.13672	1.8
228.16574	0.5
241.14349	1.3
552.44269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01174	0.6
55.05505	5.7
57.03423	1.7
64.81668	0.7
67.05475	1.1
69.03421	3.1
73.02918	1.9
73.76695	0.7
79.05489	2.6
81.07051	1.8
83.04997	3.9
83.08620	29.1
85.02895	1.8
85.06539	1.0
91.05486	2.1
93.07047	2.4
95.08591	3.9
97.02899	12.7
97.06535	1.2
99.04446	2.4
99.08160	0.8
105.07015	2.0
107.08596	40.3
108.08936	0.7
109.06532	1.5
109.10131	3.0
118.43037	0.7
119.08591	6.4
121.10145	4.5
123.08055	1.7
125.05981	2.1
125.09628	35.2
135.11705	5.2
137.09630	3.3
139.07516	1.9
139.11180	0.7
145.10106	1.7
147.08022	5.1
153.12730	5.5
159.11693	6.5
161.13329	0.8
163.11205	8.8
163.99112	0.7
165.09097	9.3
177.12726	6.0
181.12231	25.8
187.11174	1.6
195.13803	2.1
205.10321	0.9
205.12234	13.4
206.06105	0.7
213.82387	0.8
223.13286	100.0
224.13670	1.7
241.14337	0.9
350.44489	0.6
390.89081	0.7
404.91943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88799	3.1
53.03936	3.6
55.05496	12.4
57.03437	22.2
61.02925	6.0
67.05490	11.5
69.03422	26.7
69.07054	3.3
70.09071	6.9
71.01351	6.9
71.04995	6.4
73.02917	46.2
79.05501	16.9
81.03423	4.4
81.07057	19.6
83.04966	13.0
83.08614	44.0
85.02906	36.1
85.06567	4.0
87.04465	8.3
91.05457	5.4
93.07030	10.9
93.30702	2.9
93.42372	2.5
95.04964	13.0
95.08585	15.5
97.02894	40.6
97.06514	16.8
99.04432	10.4
99.08092	4.9
105.07029	15.5
107.04930	6.5
107.08588	87.9
109.06501	9.3
109.10164	76.6
111.04406	3.0
111.08109	3.8
115.03904	19.6
119.08592	17.6
121.06466	3.2
121.10136	11.9
123.08069	28.0
124.91687	2.6
125.05986	24.1
125.09631	100.0
127.03909	8.2
130.07727	3.1
131.08521	4.7
133.10066	4.0
135.11687	15.7
137.09634	8.8
138.10382	10.5
139.07484	2.8
139.11232	3.1
141.05522	5.8
144.09355	2.8
145.04924	4.1
145.10117	9.1
147.08038	10.1
147.11665	4.5
149.05992	3.8
149.09654	3.3
151.07544	20.7
152.98047	3.1
153.12766	8.8
159.11693	17.4
163.06113	3.0
163.11168	22.2
165.09132	20.8
167.07031	10.9
177.12729	12.3
181.12224	41.6
185.15787	2.9
189.12721	7.8
205.12254	29.2
207.13786	64.8
207.15602	5.6
223.13289	40.8
241.07262	3.0
241.14412	18.0
253.04485	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	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14497	0.4
50.21728	0.4
50.22861	0.4
53.63041	0.4
55.05505	2.2
55.80247	0.5
57.03429	1.0
57.07072	0.8
59.04993	0.5
61.02925	0.9
63.51434	0.4
67.05494	2.2
69.03416	2.7
69.07073	5.8
69.96257	0.9
69.96590	0.6
71.05003	0.9
73.02927	2.3
74.57061	0.4
79.05471	1.3
79.82780	0.4
81.03423	0.4
81.07049	2.7
83.04970	0.8
83.08624	3.7
85.02914	6.1
85.06544	0.9
88.48575	0.4
89.18548	0.5
91.05475	2.4
93.07053	2.5
95.04987	0.9
95.08602	7.9
97.02890	5.3
97.06556	0.6
98.22811	0.7
99.04451	1.3
105.07024	6.6
107.08603	7.6
109.02872	0.5
109.06553	0.7
109.10156	7.0
115.03928	1.2
117.07030	0.8
119.08584	26.2
121.10140	3.0
123.08058	1.2
125.09633	3.5
127.03937	1.0
133.04921	0.5
133.10130	24.6
135.11685	3.8
137.09604	4.8
139.07516	0.4
139.11206	0.6
145.05006	2.0
145.10114	1.9
147.08014	0.7
147.11659	4.9
147.93069	0.4
149.13264	1.0
151.14798	0.7
153.09059	0.5
153.12766	0.9
155.00656	0.4
158.97624	0.5
159.11710	1.0
160.12442	0.8
163.11154	1.3
165.09129	1.9
173.13271	1.5
175.14821	100.0
176.15208	2.1
177.12766	1.2
177.16374	0.6
181.12224	4.6
193.15883	26.9
195.13799	1.0
205.12303	2.4
223.05943	0.6
223.13286	22.6
224.13525	1.0
241.14426	1.2
337.19952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
57.03447	1.1
57.07071	0.8
59.05017	0.9
63.65465	0.7
67.05513	2.0
67.11620	0.7
69.03444	1.2
69.07071	100.0
70.07445	0.7
71.04996	9.3
77.61642	0.8
79.05492	0.7
81.07073	2.3
83.04991	2.0
85.02905	12.5
85.06544	0.8
88.27327	0.7
93.07045	2.1
95.04969	3.5
95.08624	1.7
97.02886	8.7
99.04472	2.6
105.07023	1.7
107.08618	2.7
109.06522	0.8
109.10155	12.5
111.04453	1.2
111.08133	1.0
111.11725	55.8
112.12038	1.2
113.09657	0.9
113.38863	0.7
119.52958	0.6
121.10181	2.1
123.08102	1.5
123.11739	1.0
125.05962	0.9
125.09689	0.8
127.11217	2.9
129.05505	2.9
129.12787	1.9
133.10147	2.4
135.11719	1.3
137.13307	1.4
138.24673	0.8
139.07597	1.4
147.06601	1.1
149.13315	2.3
151.11151	4.4
153.09160	1.8
163.11211	1.1
163.14793	1.4
173.13362	2.2
181.15950	1.2
191.14301	5.6
209.15373	85.9
210.15773	2.2
211.25356	0.8
439.19797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05510	30.5
57.03436	10.2
57.07091	5.7
61.02921	4.3
67.05500	18.5
69.03428	13.9
69.07068	31.3
69.55226	13.2
71.04984	13.6
79.05490	13.5
81.03408	5.4
81.07059	49.9
82.60565	3.6
83.08613	10.5
85.02904	53.2
87.04465	6.9
91.03947	3.3
91.05478	7.8
93.07055	37.6
95.04952	11.3
95.08615	32.0
97.02878	12.9
97.06544	19.4
97.10165	62.4
99.04444	5.4
105.07002	18.5
107.08597	36.3
109.06498	14.9
109.10144	30.3
111.08051	4.9
111.11676	5.3
119.08581	23.6
121.06492	6.3
121.10133	49.4
123.08057	14.1
123.11702	37.8
125.09624	16.8
127.03918	15.0
129.06992	3.8
131.08586	6.7
132.07950	3.3
133.10127	34.1
135.08052	7.3
135.11678	36.5
137.09598	15.8
139.11182	13.9
143.10669	10.6
145.04959	15.1
145.10133	13.1
147.11664	9.8
149.09610	9.1
149.13257	14.5
151.11169	68.7
153.12732	8.3
155.10736	4.9
157.12279	4.5
159.11678	12.8
161.09666	7.7
161.13278	6.9
163.06030	4.8
163.11191	11.3
163.14774	4.5
165.09198	5.0
165.12790	7.7
167.55742	3.4
171.22856	3.2
173.13213	5.7
175.11134	7.3
175.14848	24.5
177.12697	7.2
181.12265	12.1
187.14864	3.6
193.15898	35.8
211.16934	100.0
211.83675	4.1
231.59943	3.8
241.17870	4.6
273.22006	5.4
275.20087	12.8
291.23212	11.8
293.21127	49.2
301.21634	30.1
307.22638	7.4
319.22705	50.4
320.23093	4.4
325.23703	9.1
337.23697	73.1
355.24805	9.1
552.35663	9.2
553.22559	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	552.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28338	4.3
53.90444	4.4
55.05516	52.4
57.07084	6.7
58.48176	4.0
67.05505	26.3
69.03436	20.3
69.07080	54.1
71.04986	20.6
73.02930	5.3
79.05489	29.4
81.07058	74.2
83.05000	7.4
83.08624	15.4
85.02913	16.7
85.06533	4.7
91.05456	21.6
93.07052	71.0
95.04981	15.3
95.08627	59.1
97.02913	11.7
97.06543	12.8
97.10178	100.0
99.08092	4.2
105.07035	25.8
107.08611	57.5
109.06560	7.9
109.10163	50.6
111.08060	5.5
111.11691	5.9
113.09686	6.3
119.08589	34.0
121.06524	7.7
121.10145	79.7
123.08099	10.1
123.11735	18.2
125.09660	25.3
131.08589	7.1
133.10146	19.4
135.08127	6.9
135.11717	48.0
137.09615	12.7
137.13269	7.2
139.11200	24.9
140.17630	4.3
143.10677	25.6
145.10156	26.7
147.04500	5.0
147.11728	16.8
149.09630	9.9
149.13292	16.3
151.07588	5.4
151.11189	7.3
153.12723	9.9
157.12303	6.7
159.11717	16.9
161.13263	7.8
163.11234	24.1
165.09210	5.9
165.12697	7.4
171.10191	5.1
175.14919	7.2
177.12724	5.1
181.12213	24.7
187.14964	8.4
189.11163	6.9
195.13811	4.8
201.16542	4.3
203.12708	5.7
209.64996	4.4
223.20647	9.9
273.22131	10.0
275.20135	18.5
283.20468	7.3
289.21667	6.0
291.23328	25.0
293.21143	83.9
301.21600	53.1
301.24738	5.2
307.22659	13.5
319.22693	75.8
325.23816	25.7
337.23743	99.3
355.24557	11.6
552.35974	24.4
553.27002	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	553.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74506	2.4
75.04565	0.5
75.35114	0.7
94.93015	1.0
98.22821	0.7
112.56574	0.6
126.14825	0.6
140.50923	0.6
150.92000	0.7
168.92183	3.5
180.32228	0.6
186.93222	2.4
189.63293	0.6
192.93080	0.9
210.94086	100.0
228.94223	6.0
246.95309	1.8
248.89771	0.9
263.78299	0.6
270.95255	4.1
282.95380	0.7
300.96423	1.8
312.96234	0.6
330.97418	2.1
372.98355	1.0
381.07922	12.6
390.99228	0.8
544.14825	0.8
553.04553	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	553.1532
Annotation	6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside
Peak:m/z	Relative Intensity
62.13375	0.3
69.03443	0.4
70.37506	0.7
70.37831	0.5
85.02914	0.4
89.03935	0.8
99.04446	0.4
107.08614	0.5
117.03378	2.1
145.02853	6.7
149.05928	0.8
177.05482	7.5
177.06984	0.6
185.04208	1.1
197.04250	1.4
199.03711	1.5
207.13832	0.6
215.05260	2.7
217.04675	2.6
225.14911	1.8
263.00629	0.5
329.10056	0.9
345.09464	1.8
352.54062	0.4
361.08969	0.4
373.08862	4.2
379.09988	12.4
391.10098	2.3
491.15314	1.0
507.14685	6.0
535.14233	17.3
536.15240	0.5
553.15277	100.0
554.15479	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	553.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39174	1.0
55.05523	1.8
67.05495	2.8
69.05716	1.2
69.07078	2.1
69.14355	5.9
71.05001	3.6
77.41451	1.4
79.58336	1.1
81.07074	4.5
83.04961	1.0
85.02901	5.5
93.07037	2.4
95.08602	3.1
105.07066	2.2
107.08617	2.8
109.10181	1.7
117.53751	1.0
119.08601	2.6
121.10169	2.1
125.09621	1.3
133.10162	2.0
135.11746	1.8
142.30368	1.4
147.11700	1.6
151.11209	1.4
185.11687	1.0
197.02959	4.8
215.04128	1.2
269.09842	1.3
274.25439	1.3
287.07608	1.2
287.11050	2.9
301.21442	1.3
305.08759	2.6
331.10031	3.8
337.23721	2.1
347.09473	2.2
349.10956	1.4
391.08127	1.3
391.21042	7.0
407.12054	5.0
415.15793	51.0
433.16885	60.6
509.19974	13.5
509.26752	1.9
553.18793	100.0
553.26306	11.1
553.36896	3.8
554.19049	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	553.2783
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
67.05507	3.9
69.65609	3.7
91.35103	2.2
98.97565	2.7
109.10202	2.7
133.12959	2.3
239.87482	2.1
268.16403	2.2
435.14658	2.6
463.26346	4.1
483.01926	2.8
553.27582	100.0
554.28290	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	553.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70212	1.7
53.32262	1.7
60.91019	1.4
67.05480	2.1
69.72737	5.2
69.77941	1.6
72.11269	1.6
92.23394	1.8
110.85568	1.5
134.75957	1.9
200.98497	1.7
204.29695	1.8
293.05243	3.0
317.17902	3.5
463.26944	2.3
553.27490	100.0
554.28107	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	554.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01884	0.8
55.05510	2.9
57.03173	1.2
57.03437	11.6
59.33486	0.6
61.02924	1.4
65.03936	1.4
67.05505	1.1
69.03429	2.2
69.07068	2.8
70.05705	1.9
71.04995	79.3
72.05324	0.7
73.02913	2.1
75.04485	5.1
79.05482	0.9
81.03416	1.3
81.07048	3.0
83.04980	7.6
85.02906	100.0
87.04471	1.9
91.05482	94.5
92.05794	1.4
93.07047	0.9
95.04979	1.2
95.08605	3.1
97.02888	3.4
97.10176	2.0
98.22749	0.8
102.11228	0.6
103.03923	1.5
105.07026	1.0
105.22064	0.8
107.08588	0.9
108.36208	0.7
109.02910	0.6
109.10144	1.2
111.04440	4.4
111.05554	0.7
121.10140	1.2
123.11700	2.2
127.03906	3.1
129.05478	47.8
135.11748	0.8
139.11147	1.4
145.04958	2.4
145.74947	0.6
147.06529	24.7
147.11670	1.4
147.78311	0.8
153.12692	1.1
157.12212	0.8
185.03290	0.9
229.08607	4.3
255.08537	1.0
303.23145	2.0
309.57489	0.8
310.17767	0.8
321.24408	5.0
339.25146	4.4
357.26248	1.7
393.22458	0.8
555.24512	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	554.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
57.03440	4.1
59.04986	0.8
61.02933	1.0
63.96888	0.7
65.41158	0.7
67.05513	1.1
69.03438	6.2
69.58627	1.0
69.59020	1.7
71.04997	7.2
73.02923	10.1
79.05490	1.4
81.03430	1.4
81.07050	2.1
81.34933	0.7
83.04979	1.2
83.08620	2.5
85.02914	10.2
87.04460	1.6
91.05490	1.3
92.26988	0.7
93.07050	2.1
94.68311	0.6
95.04964	1.9
95.08626	3.5
96.12502	0.6
97.02329	1.0
97.02897	8.1
97.06518	0.7
98.22858	1.8
98.23418	0.9
99.04466	25.9
105.07039	3.0
107.07925	1.4
107.08601	13.9
109.02895	1.4
109.06538	7.8
109.10171	1.8
111.08105	0.7
113.09647	0.7
115.03920	6.0
119.08569	2.1
119.14879	0.6
121.10159	9.1
123.08084	20.8
123.11702	5.0
125.09634	6.2
127.03059	0.7
127.03889	3.1
131.08571	1.1
133.05002	1.7
137.09618	1.0
139.11241	1.3
145.04948	2.2
147.11697	2.4
147.85548	0.8
149.09631	12.7
151.07565	5.2
156.16586	0.7
161.13277	2.2
161.42339	0.6
163.05974	0.6
163.11227	0.7
165.12799	6.0
167.10669	13.0
171.11725	0.8
174.45906	0.7
179.14337	3.1
183.13820	11.5
189.12807	4.1
207.13832	12.8
225.14873	100.0
226.15302	1.2
241.06990	0.7
249.14862	0.8
259.08224	1.8
295.10226	1.1
351.17978	1.0
387.19955	1.1
425.31384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.03442	1.9
57.07074	0.5
60.51111	0.3
62.29696	0.4
67.05505	1.6
68.00665	0.3
69.03420	0.8
69.07069	3.4
70.07487	0.3
71.04995	22.5
71.46326	0.4
73.02904	1.3
75.04475	0.6
79.05488	0.8
81.03414	0.6
81.07047	2.5
83.05000	1.7
83.08611	1.0
85.02908	15.4
85.06540	1.8
91.05447	0.7
93.07044	2.8
95.08615	5.1
97.02903	1.3
97.06538	1.5
99.04459	35.1
99.08089	0.5
105.07031	0.9
107.08595	4.4
109.02848	0.4
109.06487	0.4
109.10155	4.5
111.04456	0.9
111.11727	1.0
113.09647	4.4
115.03921	0.4
115.07561	1.8
119.08602	2.6
121.10143	1.5
123.08060	1.7
123.11695	1.8
125.09634	1.6
129.05487	3.8
133.10136	2.9
135.11696	11.4
137.05952	0.4
137.09593	0.7
139.11203	1.1
141.09135	0.4
141.12735	1.6
147.06500	1.6
147.11653	0.4
149.13248	0.9
151.14845	2.9
153.12766	1.4
164.09227	0.5
165.16367	0.4
169.15892	0.6
175.14836	4.3
193.15872	4.2
207.13853	0.6
211.16937	100.0
212.17250	3.0
225.14920	1.7
309.11877	0.6
312.13544	0.3
321.24426	0.5
391.81793	0.4
393.22574	2.1
472.52539	0.4
555.26990	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	554.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.05518	16.0
57.03433	2.8
57.07079	4.6
59.05005	2.5
61.02921	3.0
61.26159	2.3
67.05505	13.3
69.03425	13.0
69.06708	3.6
69.07074	54.8
71.04994	8.6
79.05510	10.0
81.07066	50.6
83.04982	4.1
83.08620	13.9
85.02912	13.6
85.06559	3.3
91.05490	8.9
93.07050	33.2
94.67588	2.1
95.04984	7.2
95.08613	41.8
97.02874	2.5
97.06550	10.4
97.10163	13.1
99.08082	2.0
102.20626	2.4
103.03959	3.0
105.06462	2.2
105.07037	13.6
107.04993	3.4
107.08602	44.2
109.06538	7.5
109.10166	57.1
111.08079	5.9
111.11724	7.9
113.06049	2.6
119.08559	11.8
121.10159	23.4
123.08056	3.2
123.11691	21.3
125.09645	5.5
127.03907	2.5
127.11164	5.1
129.05479	2.5
131.08563	4.2
133.10126	14.0
135.08072	7.2
135.11699	17.9
137.09616	22.6
137.13261	5.7
139.11186	2.5
143.07016	4.5
143.10664	3.6
145.10144	7.2
147.11676	3.9
149.09599	9.8
149.13266	7.3
151.11180	18.8
153.09129	4.3
153.12759	26.9
159.08066	2.9
159.11688	4.7
161.09636	5.6
161.13211	2.9
163.11201	3.4
163.14873	3.3
165.09131	15.3
165.10347	2.5
165.12845	2.1
167.10657	10.2
169.12233	7.1
171.13832	10.4
173.13304	7.0
175.14844	5.2
177.09140	8.6
177.12779	4.0
177.16393	2.2
179.10710	10.4
187.14842	4.1
189.11240	2.8
191.10718	2.7
193.12207	3.7
193.15956	4.6
195.10126	9.5
197.11488	2.4
199.15205	2.1
211.15025	2.5
219.21126	2.9
237.22130	4.7
243.21179	3.8
247.16998	2.3
257.22653	2.3
261.22153	3.4
261.48608	2.1
275.23669	3.1
279.23248	5.9
285.22141	3.2
295.26428	2.8
303.23227	28.6
321.24261	100.0
339.25342	79.2
357.26324	37.3
358.26309	2.2
375.27325	5.6
393.22556	4.7
554.23285	6.7
555.27545	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.4
69.55167	2.3
69.55551	2.9
79.05502	1.2
83.05000	1.6
85.02924	1.3
91.05489	1.2
93.03426	2.3
94.04230	1.3
103.05452	5.8
107.04977	1.1
109.06559	1.5
110.88108	1.0
111.04427	2.3
115.05495	1.8
117.06995	1.0
119.04961	1.9
122.03687	5.1
125.05995	3.7
126.14594	1.1
128.06194	4.8
129.07007	19.0
131.04938	16.7
131.08589	1.2
137.05978	100.0
143.04932	2.2
144.05717	1.3
145.06529	2.4
147.08115	1.4
151.07585	1.2
153.05479	10.1
157.06491	21.1
159.07993	1.2
160.05217	5.5
161.06010	2.8
163.07550	9.3
172.05206	3.3
174.06752	5.6
175.07552	31.4
185.05914	1.2
187.07538	27.9
189.09108	46.0
191.08475	1.5
203.08665	1.8
205.08627	4.1
207.10194	4.7
217.08615	8.9
217.40530	1.2
219.08115	3.8
231.08067	3.3
235.09552	1.7
247.07562	3.7
248.08295	2.2
251.10646	3.4
255.06497	1.6
263.10672	5.0
265.08319	1.3
270.08908	4.6
271.09671	4.6
276.07986	1.9
279.10126	4.8
283.09833	1.4
291.10013	9.4
292.10614	1.0
296.10577	1.8
311.12750	14.0
311.65466	1.0
323.12778	16.3
329.13803	1.7
341.13873	24.5
486.15045	1.2
557.22003	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	556.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.8
55.05515	13.0
57.03448	3.5
57.07061	0.8
61.02937	1.0
62.36763	0.5
67.05505	2.0
69.03432	5.1
69.07070	2.4
69.48456	2.4
70.06597	0.8
70.93727	0.5
71.05001	1.0
73.02924	6.1
74.15565	0.6
75.91238	0.6
79.05499	1.7
81.03453	0.6
81.07059	2.9
83.04998	6.7
83.08629	10.5
85.02914	7.6
85.06530	1.8
89.64398	0.6
91.05470	2.0
93.06538	0.6
93.07061	6.4
95.04979	5.8
95.08606	2.6
97.02898	7.3
97.06527	3.2
97.10162	1.4
98.22775	1.3
98.23380	1.1
99.04469	2.8
99.08162	0.6
105.07049	2.2
107.08592	10.6
107.09264	1.0
109.02913	0.7
109.06494	2.3
109.10161	6.6
111.08085	2.4
113.05996	0.8
115.03925	3.6
115.07578	4.2
119.08574	2.7
121.10155	20.4
123.08086	0.9
123.11724	2.3
125.09602	2.7
127.03913	2.1
128.49973	0.5
131.08545	1.8
133.04970	1.7
133.10143	6.1
135.08058	1.3
135.11678	1.7
137.05986	0.9
139.61977	0.6
145.04976	2.3
147.11685	2.1
149.13260	2.3
151.10033	1.1
151.11191	14.4
153.09116	3.4
158.10898	0.6
163.06026	1.5
163.14807	5.6
167.14328	17.2
173.13286	5.3
175.07594	1.1
175.14769	2.8
191.14308	8.2
193.15910	1.0
209.15381	100.0
210.15750	2.2
225.14856	1.1
226.15062	0.7
227.16490	9.4
241.07085	0.8
251.16602	0.8
259.08096	1.6
295.10275	2.0
341.13998	0.7
381.83301	0.6
557.22015	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	556.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05511	7.2
55.62410	0.7
57.03436	5.7
59.04990	0.7
61.02919	2.2
67.05490	2.6
69.03429	10.0
69.07063	2.1
71.01349	1.0
71.04984	1.8
71.45410	0.8
73.02916	15.8
75.52524	0.6
79.05508	1.7
81.03411	1.8
81.07051	4.9
83.04990	8.1
83.08624	7.5
85.02911	13.2
85.06548	2.1
86.09692	1.9
91.05477	2.4
93.07038	5.1
94.07623	0.8
95.04974	8.0
95.08592	3.1
97.02900	13.8
97.06532	3.3
97.10146	1.0
99.04453	3.0
105.07015	3.3
107.08591	9.1
109.02863	1.4
109.06513	5.6
109.10163	8.1
111.08084	2.1
115.03922	7.8
117.07001	1.1
119.08581	3.4
121.10146	15.6
123.08046	1.6
123.11695	2.9
125.09642	3.9
127.03915	2.9
129.06998	2.0
131.04977	1.3
131.08540	3.3
132.10187	1.7
133.04977	1.8
133.10123	11.1
135.08032	1.9
135.11699	3.1
137.05968	7.8
139.11168	2.2
145.04985	3.1
145.10043	1.5
147.11699	2.6
149.13248	4.5
151.11177	13.1
153.09094	3.7
157.06483	1.4
157.12219	1.4
163.14874	4.0
165.12814	1.1
167.14319	14.3
173.13281	7.4
175.07536	2.8
187.07545	2.2
189.09119	3.5
191.14316	14.5
209.15369	100.0
210.15669	2.0
217.08693	0.8
222.06586	0.8
223.06049	1.5
225.14903	0.9
227.16478	9.4
241.07083	2.2
259.08078	2.2
273.04019	1.1
292.34253	0.8
295.10135	1.0
296.10455	0.9
305.17343	0.8
323.12793	1.9
341.13867	2.3
353.19452	0.8
371.20599	0.9
394.14865	1.6
551.21033	0.8
557.21631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55182	2.2
55.05510	8.2
57.03438	10.0
57.07077	34.3
66.92928	2.8
67.05505	17.2
69.07060	11.5
69.12381	14.8
71.04990	3.0
71.08640	16.1
79.05504	22.5
81.07055	26.0
83.05004	3.3
83.08606	13.4
84.27131	2.5
85.10190	11.1
89.06027	3.8
91.05493	7.0
93.07050	30.3
95.04990	6.9
95.08609	43.5
95.09209	3.2
97.02894	3.4
97.10186	3.3
98.23533	4.5
99.04472	3.6
103.78432	2.3
105.07011	4.5
107.04949	7.7
107.08585	18.7
109.10146	5.9
117.07033	8.0
119.08570	6.2
121.06470	5.0
121.10123	7.0
123.11705	3.5
135.11699	43.5
145.10118	19.8
163.11195	40.9
181.12250	7.2
199.22295	2.6
225.78046	2.4
227.12759	67.6
239.23788	2.8
283.15384	66.3
283.26569	3.4
313.27353	100.0
319.77661	2.5
319.93500	2.5
327.34348	2.4
470.82510	3.0
521.38397	81.7
521.96942	2.7
556.52747	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	557.2003
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
67.05505	0.8
69.03418	0.5
70.43735	1.0
79.05465	0.6
81.07065	0.9
84.96027	0.7
95.08620	1.3
96.38132	0.4
98.97601	1.2
141.01474	1.2
147.11737	0.7
153.03647	0.5
237.08000	0.7
263.15109	0.5
283.08560	1.4
297.09976	0.8
314.79688	0.5
325.09686	0.8
333.23926	1.6
359.27747	0.5
377.12604	0.7
395.24194	7.3
420.02518	0.6
495.29175	0.6
497.17303	1.0
539.27777	0.7
557.19800	100.0
557.28613	25.4
558.20074	3.6
558.28076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30359	0.3
55.05510	0.8
69.03416	0.4
69.17002	2.4
69.17326	0.6
78.86530	0.3
83.08633	2.3
97.02889	1.1
107.08612	1.3
113.02118	0.7
115.89474	0.4
125.05987	0.4
125.09649	0.9
137.09752	0.4
141.05252	0.6
153.12764	0.8
155.03174	1.5
169.04729	2.0
171.02661	1.3
172.03424	0.4
181.12329	0.5
182.01747	0.4
195.13922	0.5
196.94489	0.4
201.03761	1.4
203.05283	0.5
205.08444	1.9
208.24646	0.5
229.06947	1.0
245.11540	2.8
257.06509	0.6
263.12631	0.6
273.09479	0.5
275.07434	0.6
301.09042	0.7
308.88303	0.4
311.14816	0.4
317.08426	3.1
327.14081	0.6
333.07938	13.7
335.09494	5.2
357.55243	0.5
361.11017	1.6
397.18469	0.5
425.17853	3.9
459.18414	3.4
529.22803	3.1
557.22070	100.0
558.22540	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	557.221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82110	0.4
60.97328	0.4
62.68250	0.5
69.75755	1.3
69.76147	0.9
70.06623	0.7
83.08620	1.1
97.02908	1.0
97.06532	0.5
107.08621	0.9
118.52089	0.5
127.03828	0.5
130.64055	0.5
132.67212	0.5
141.05238	0.9
153.01906	0.5
155.03191	0.6
164.88693	0.5
169.04739	0.6
171.02762	0.7
181.12286	0.8
189.09338	0.5
205.08423	0.7
231.64760	0.5
235.09790	0.8
236.10016	0.7
245.11548	1.1
275.07364	0.8
317.08502	1.6
333.07932	5.9
335.09540	2.8
361.11075	0.8
391.12180	1.7
397.18192	0.7
425.17981	2.6
459.18268	1.1
479.20303	0.6
529.22473	2.0
557.22009	100.0
558.22308	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	557.2576
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
52.51231	0.2
54.94721	0.2
70.49928	0.2
72.94534	0.2
103.93504	0.3
113.02129	0.4
142.44203	0.3
145.37613	0.2
169.04770	0.8
185.04295	0.5
201.03807	0.4
206.05185	0.3
241.10437	0.5
249.14561	0.5
263.81235	0.2
289.09131	0.3
313.16336	0.7
315.10342	0.4
331.10083	0.6
347.09485	3.2
349.11118	0.5
383.20511	1.0
411.19928	4.7
459.22000	3.3
461.47873	0.2
482.87985	0.3
529.26361	2.6
557.25720	100.0
558.25970	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	557.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01867	0.6
55.05510	1.4
56.81905	0.3
57.03446	0.5
65.03936	0.3
67.05509	2.3
68.13058	0.3
69.07063	0.7
69.96741	1.0
79.05489	2.1
79.23244	0.3
81.03417	4.5
81.07065	1.7
83.04983	0.5
83.08623	1.4
91.05494	1.4
93.07069	1.2
95.04969	1.9
95.08613	1.2
97.06523	0.6
97.10156	0.9
98.98472	0.3
105.07040	1.4
107.04962	1.1
107.08607	1.2
109.06551	0.5
109.10178	0.5
111.08095	0.7
117.07040	0.7
119.08592	1.2
121.06524	1.3
121.10176	0.7
123.07977	0.3
125.09642	1.0
127.46095	0.3
129.07005	1.1
131.08591	0.9
133.06477	0.5
135.08054	0.6
145.06482	0.8
145.10161	0.5
153.09116	0.6
157.06438	0.3
157.10132	0.8
175.11159	0.6
189.11302	0.5
189.12842	0.3
193.12286	2.5
227.12799	0.4
233.15392	0.5
249.14798	0.5
349.21851	0.4
367.22827	0.6
385.23883	1.0
395.23535	0.5
395.27948	2.1
415.24887	0.4
441.26639	0.6
449.60541	0.3
459.27411	15.1
460.28076	1.1
557.33063	100.0
558.33459	4.6
563.20410	0.4
569.78229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.33
Annotation	CHEBI:61255
Peak:m/z	Relative Intensity
80.20630	0.3
93.07114	0.4
105.07045	0.4
117.48540	0.3
123.86475	0.4
183.51956	0.4
190.55473	0.3
194.56898	0.4
203.05283	2.5
377.26630	28.4
378.22504	0.4
378.27310	1.3
393.01071	0.4
395.23816	0.5
395.28101	1.7
535.10010	0.3
557.33191	100.0
558.26318	0.5
558.33618	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	557.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75098	0.9
53.03962	2.9
55.01884	3.1
55.05516	22.6
57.03448	6.1
57.07078	2.7
61.07859	1.0
65.03950	2.3
67.05510	44.6
69.07075	18.9
69.17170	4.1
69.17581	1.8
71.05001	2.9
71.51977	0.9
71.52393	0.8
77.03933	1.2
79.05501	38.7
80.05827	1.0
81.03442	3.8
81.07063	43.4
81.73247	0.9
83.04984	4.7
83.08620	9.4
85.06557	3.8
91.05487	43.4
93.06448	1.8
93.07052	36.2
95.04967	9.3
95.05459	1.0
95.08617	31.5
97.06570	4.9
97.09672	0.9
97.10164	5.3
99.08173	1.3
103.05486	1.2
105.04520	3.0
105.07044	36.4
107.04990	5.5
107.08607	20.2
109.06528	2.7
109.10155	10.9
111.08102	2.2
113.09716	0.9
115.05483	3.4
117.07018	17.5
119.08588	34.0
121.06524	2.5
121.10152	12.9
123.08115	4.0
123.11736	2.6
125.09644	2.5
128.06201	4.8
129.07010	19.5
130.07831	2.1
131.08575	28.0
133.06644	1.1
133.10143	18.9
135.08104	3.0
135.11696	7.3
137.09727	1.3
141.07008	9.6
142.07854	4.2
143.08575	22.7
143.09634	1.7
144.09270	1.4
145.06528	2.3
145.10130	31.8
147.08031	2.1
147.11687	19.9
149.09663	2.8
149.13304	4.9
151.11259	1.3
153.07089	1.7
154.07841	2.4
155.08571	21.4
156.09366	3.3
157.10135	19.9
159.08096	2.4
159.11710	16.5
161.09656	2.8
161.13281	11.6
163.11227	2.5
163.14871	1.5
165.07037	1.6
165.12715	1.1
166.07854	1.4
167.08629	7.5
168.09364	1.4
169.10159	21.0
170.10896	2.3
171.08130	1.8
171.11696	22.5
173.09607	1.2
173.13277	12.9
175.11200	1.5
175.14813	4.9
177.12801	2.3
179.08597	2.2
181.10141	12.8
182.10944	2.3
183.11708	17.8
185.09729	1.4
185.13264	12.4
187.11292	2.6
187.14861	4.6
189.12802	3.0
191.14406	1.1
193.10156	4.9
194.10994	1.2
195.11708	13.0
197.13281	12.4
198.13919	1.5
199.11253	2.7
199.14856	9.2
201.12807	1.0
201.16432	2.0
205.10074	2.0
205.12288	1.1
207.11758	4.7
207.13910	5.1
209.13254	9.1
210.14037	1.1
211.14850	8.6
213.12830	1.5
213.16396	8.3
219.11734	1.6
219.17688	0.9
221.13329	3.2
223.14894	5.4
225.12817	1.5
225.16508	4.4
227.18001	1.5
231.17648	1.4
233.13348	1.7
235.14876	2.7
237.16495	3.2
239.14391	1.2
239.18044	2.4
241.19531	7.2
247.14810	1.6
247.17085	3.3
249.16396	1.7
251.18015	2.5
257.19122	3.5
259.20590	14.2
261.16339	1.1
265.19788	1.5
277.22012	1.5
279.15900	5.5
281.17410	11.5
295.20651	1.6
297.22272	3.2
299.23557	0.9
309.22061	1.6
311.16522	0.9
311.20145	1.9
311.23679	1.6
313.21817	1.6
315.23184	1.6
321.22202	2.8
323.23856	2.8
327.23184	2.1
333.24179	7.8
335.23889	3.8
337.25342	2.6
339.23135	2.7
341.24878	1.0
347.23752	1.5
349.25476	1.6
349.67599	1.0
351.23206	1.2
353.24911	2.1
363.27045	1.4
367.26364	1.2
395.25955	1.0
419.33292	4.1
429.31470	5.1
437.34265	9.0
447.32608	21.9
465.33682	26.0
483.34735	13.7
493.37164	1.4
501.36023	2.0
503.35345	1.7
511.37857	2.6
521.36243	8.8
527.37402	3.2
529.39227	5.8
529.46198	1.3
539.37347	100.0
540.37494	5.3
557.38495	62.2
558.38812	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.3
53.03944	2.1
54.74481	1.7
55.01860	2.0
55.05512	22.0
57.03436	6.6
57.07081	4.5
65.03967	1.6
67.05503	35.7
69.07066	14.9
69.17736	10.1
71.04984	2.7
79.05492	37.1
79.81551	1.5
81.03433	2.9
81.07053	38.7
83.05009	3.7
83.08626	8.6
85.06548	2.9
88.95000	1.4
89.06026	3.5
91.05482	38.4
93.07041	37.7
95.04979	7.8
95.08605	26.8
97.06535	3.4
97.10194	4.8
98.23506	2.9
99.08134	2.2
105.04501	2.8
105.07030	39.6
107.04951	5.1
107.08577	16.0
107.09142	1.4
109.06535	2.6
109.10174	8.7
111.08071	2.2
115.05453	2.0
116.06208	2.0
117.07005	15.3
119.08588	29.4
121.06499	1.8
121.10138	10.6
123.08090	3.3
123.11732	1.8
125.09647	2.6
128.06281	4.3
129.07010	16.0
131.08562	30.9
133.08669	1.7
133.10138	18.9
135.11688	7.2
141.07005	8.1
142.07796	2.5
143.08553	23.4
145.06424	2.4
145.10118	26.2
147.08057	1.8
147.11691	18.9
149.09665	2.5
149.13254	3.9
154.07837	3.0
155.08554	17.9
156.09380	3.7
157.10109	18.2
159.11688	18.5
160.80690	1.5
161.13229	11.1
167.08517	8.9
168.09354	2.9
169.10144	17.8
171.07957	2.0
171.11685	19.1
173.09743	2.1
173.13290	11.1
175.11166	1.8
175.14935	4.8
181.10120	8.6
182.10959	2.4
183.11687	17.2
185.09779	1.8
185.13277	15.0
187.14883	5.0
189.12796	2.7
193.10150	2.6
195.11711	9.4
197.13260	9.3
199.14812	8.1
201.16481	2.4
207.11732	4.5
207.13841	5.4
209.13319	6.9
211.14848	9.4
213.16428	5.3
221.13226	2.5
223.14883	3.5
225.16504	3.3
233.13084	2.1
235.14943	3.6
237.16499	2.0
241.19516	8.5
243.21053	1.6
247.17039	2.7
257.19147	1.7
259.20602	12.9
261.22110	2.2
279.16122	3.6
281.17340	10.2
293.19226	1.6
295.20645	1.7
297.22354	1.9
323.20279	1.8
323.23740	2.4
333.24350	4.6
335.23788	3.0
339.23245	3.0
342.08740	1.7
349.25659	2.2
351.23129	2.3
353.24805	3.5
367.26569	1.9
372.22748	1.7
419.32855	2.3
429.31583	4.7
437.34225	8.6
447.32581	21.8
465.33649	23.1
473.33994	1.8
483.34802	12.8
501.35843	1.9
511.37848	2.6
521.35870	8.9
527.37354	3.4
529.38916	6.9
539.37317	100.0
540.37732	2.3
557.38385	54.6
557.52722	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	558.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64771	1.3
51.43541	1.2
53.03961	1.8
55.01893	1.4
55.05514	24.2
57.03441	3.1
57.06818	1.6
57.07085	20.6
61.02929	3.7
64.80724	1.3
67.05522	2.0
69.03430	8.7
69.07076	74.6
70.47541	2.6
71.05028	2.0
71.08638	7.6
73.02905	1.6
78.00381	1.1
78.85009	1.0
80.08460	1.0
81.03421	3.6
83.01325	1.3
83.08629	43.1
85.02402	2.4
85.02916	45.2
85.10184	10.2
85.20291	1.2
85.91995	1.2
91.03935	2.3
95.08571	1.6
97.02914	11.3
97.10181	57.9
99.04453	2.2
107.08612	1.9
109.02882	4.9
111.11732	52.1
125.13277	23.5
127.03911	10.3
139.14839	2.5
145.04967	16.3
145.70963	1.2
163.06073	6.7
181.19510	6.6
193.00685	1.4
199.20590	100.0
200.20912	1.9
217.21658	12.5
218.83260	1.1
325.11313	1.6
368.46432	1.4
396.24536	1.9
397.25845	2.2
417.28888	1.3
438.26291	1.2
497.30716	4.3
541.29590	2.5
558.29968	16.0
559.31012	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	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.0
57.03430	12.8
57.07069	27.0
63.81506	3.3
67.05499	26.6
69.07064	11.7
71.08638	19.8
79.05489	14.3
81.03419	35.2
81.07044	29.2
83.04967	9.3
83.08624	17.9
84.36095	3.5
85.02904	10.6
85.10169	9.7
91.05478	20.8
93.07053	10.6
95.04964	12.2
95.08591	21.9
97.10157	6.2
105.07006	15.2
107.08576	4.2
109.10141	10.5
111.08070	6.1
119.08579	12.1
121.10171	7.8
123.11729	4.2
127.82100	3.2
129.07004	8.5
131.08585	7.0
133.10118	6.7
147.11684	7.6
149.09714	4.2
157.10156	12.4
175.11165	10.1
175.48399	3.5
193.12259	38.0
211.13293	67.9
239.07809	3.7
244.48924	3.3
267.16049	24.5
285.16977	71.6
313.27316	100.0
399.01721	3.7
505.38644	10.3
523.39996	77.0
557.53601	5.5
558.37903	4.2
558.53424	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	558.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.4
57.03428	7.4
57.07080	19.4
67.05515	15.9
69.07067	6.3
70.03040	2.1
71.05031	2.4
71.08636	13.0
79.05488	9.4
81.03422	37.3
81.07055	17.4
83.04977	6.7
83.08620	17.8
85.02901	8.7
85.10171	9.1
91.05484	8.1
93.07050	6.9
95.04980	13.6
95.08591	12.5
97.10189	4.9
101.78922	2.0
105.07023	8.2
107.04961	3.1
107.08598	5.1
109.10167	6.1
111.08083	5.0
119.08559	7.6
121.10117	2.7
129.07045	2.7
131.08586	4.5
133.10098	5.2
147.11705	7.4
151.84792	1.8
157.10141	8.4
163.34470	2.2
175.11188	7.9
193.12241	31.3
211.13272	58.7
218.58987	2.2
234.76579	2.2
267.15848	8.9
268.56415	2.2
285.16983	42.7
313.27359	66.7
314.27567	3.2
505.38831	8.0
523.31921	4.9
523.39899	100.0
524.40576	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	558.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
82.60694	1.4
94.31826	1.4
94.93012	50.2
101.11685	1.4
119.21183	1.4
131.63306	1.4
131.91736	1.8
136.94041	8.0
150.91856	1.9
177.15474	1.5
182.32733	1.5
188.75906	1.3
206.88585	12.3
206.98192	4.2
243.35368	1.6
248.89642	100.0
266.89868	1.7
308.90897	2.2
352.25540	1.5
352.94565	12.1
357.15738	1.6
358.96542	1.4
372.85828	1.6
378.92496	20.6
387.04529	24.8
498.97925	2.2
558.98804	36.6
588.89893	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	559.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	0.6
85.02921	0.8
91.05473	0.5
95.08611	0.3
107.83417	0.2
108.73047	0.2
114.20113	0.2
143.01085	0.4
185.04221	1.0
215.95294	0.2
251.06810	1.5
305.06265	0.2
331.10040	6.1
379.24341	0.2
397.25809	1.5
413.12048	1.9
451.12146	0.4
497.30774	0.7
541.29468	0.7
559.17682	100.0
559.30737	53.1
560.18152	3.0
560.31189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2157
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
71.44161	0.5
80.18738	0.5
80.87542	0.5
86.45601	0.5
167.03433	1.1
254.49663	0.6
333.07721	0.8
529.20483	32.1
530.20850	0.9
541.22607	0.5
559.21539	100.0
560.22064	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	559.2889
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
50.41666	0.9
67.05505	0.8
79.85490	0.6
105.07018	0.7
112.78503	0.8
113.06037	0.7
120.39172	0.6
129.05423	0.7
134.74925	0.6
144.07872	0.6
176.20193	0.6
179.13895	0.6
349.20422	1.0
367.21201	0.7
369.19580	1.0
379.21600	1.2
442.27747	0.8
559.28729	100.0
560.29340	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	559.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59753	0.1
61.12452	0.1
69.07070	0.3
85.02933	0.3
97.10223	0.2
102.61723	0.2
107.08634	0.2
199.20670	0.2
203.05344	0.3
298.59021	0.2
329.14105	0.2
331.21365	0.2
335.25568	0.4
346.72214	0.2
379.24490	0.6
397.25629	3.5
439.27084	0.2
541.29834	2.5
559.30914	100.0
560.31122	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01871	21.5
55.05514	29.0
57.03439	12.4
57.07090	3.0
65.03941	4.7
67.05506	69.6
67.05869	3.5
69.03432	5.7
69.07069	45.7
69.62424	5.9
71.01351	1.7
71.04979	4.9
77.03927	1.8
79.05495	53.6
81.03423	49.0
81.03899	2.9
81.07057	68.7
83.04993	15.5
83.08623	27.1
85.02902	11.7
85.06558	3.4
91.05482	83.8
93.07044	49.3
95.01318	12.3
95.04964	31.2
95.08607	37.7
97.02924	2.2
97.06534	36.0
97.07121	3.0
97.10160	9.2
99.08100	2.0
103.05481	2.4
105.04491	2.9
105.07031	76.6
107.04957	23.3
107.08586	24.4
109.06516	8.4
109.10159	19.4
111.04461	2.9
111.08080	8.2
115.05486	4.5
117.07018	23.1
119.04932	2.0
119.08575	52.1
121.06521	6.8
121.10164	16.6
123.04422	3.0
123.08072	7.9
123.11709	5.3
125.09648	5.7
128.06201	3.6
129.07013	19.5
130.07823	3.2
131.04906	1.6
131.08562	36.8
133.06503	4.5
133.10133	45.9
135.08076	6.2
135.11713	8.1
137.09608	5.0
141.07010	4.5
142.07761	3.2
143.08507	8.8
145.06500	3.1
145.10118	23.0
147.08086	5.9
147.11711	24.1
149.09624	10.2
149.13304	4.9
151.11223	4.7
155.08556	5.2
157.10126	16.1
159.08128	3.1
159.11671	17.0
161.09627	2.8
161.13271	7.7
163.11195	9.3
165.09163	3.4
165.12805	5.2
167.08545	2.6
169.10173	6.6
171.11703	7.9
172.00894	1.7
173.09673	2.6
173.11945	1.9
173.13300	7.1
175.11206	10.1
177.12808	5.5
179.14296	17.8
181.10216	1.9
183.11734	5.3
185.09651	2.5
185.13326	5.3
187.11243	5.2
189.11299	2.0
193.12234	19.2
197.13310	4.7
201.12732	2.7
205.12276	2.6
209.13324	1.9
211.13264	17.7
211.14876	2.3
219.17354	1.8
227.12863	3.4
229.14294	2.3
229.19490	2.9
239.17947	3.2
241.14366	2.3
247.20566	2.1
249.14972	1.7
257.19019	11.7
267.15909	35.1
275.20068	100.0
279.15903	3.4
291.19550	2.1
293.21127	12.3
295.20667	2.4
297.22250	2.7
299.19949	2.7
313.21671	5.2
315.23361	3.0
331.22812	3.5
349.23743	16.7
376.54187	1.6
431.29584	3.8
449.30771	2.8
467.31708	3.8
523.34399	3.6
541.35248	50.7
559.36340	79.7
560.36310	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	559.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01880	11.9
55.05518	32.8
57.03442	11.9
59.05019	2.6
59.62665	2.0
61.35227	2.0
65.03946	4.5
66.36688	1.9
67.05515	60.0
69.03426	3.8
69.07078	33.2
71.05010	5.4
79.05501	63.7
79.05947	3.8
81.03428	64.0
81.07066	66.8
83.04992	14.4
83.08636	26.4
85.02913	17.7
85.06579	5.0
87.33288	1.8
91.05492	69.6
93.07055	46.0
95.04981	34.2
95.08613	34.9
97.06535	14.6
97.10188	12.6
98.23071	15.0
99.08071	3.6
103.05478	2.2
105.04531	3.0
105.07043	62.2
107.04966	15.6
107.08607	43.3
109.06548	7.5
109.10188	17.4
111.04456	4.4
111.08115	8.2
115.05472	4.2
117.07037	15.7
117.08453	2.4
119.08594	42.1
121.06525	4.8
121.10172	18.7
123.08088	6.1
123.11737	4.8
125.09637	11.0
128.06270	2.3
129.07033	15.7
130.07889	2.1
131.08585	34.7
133.06564	2.9
133.10139	30.7
135.08072	6.7
135.11740	7.5
137.09641	3.9
141.07042	2.7
142.07832	5.9
143.08583	10.4
145.10129	27.0
147.08092	4.7
147.11699	23.3
149.09616	18.4
151.11235	3.3
155.08650	3.6
157.10170	15.9
159.08061	2.2
159.11687	14.5
161.09714	3.7
161.13303	7.6
163.11197	14.1
165.12892	2.4
169.10202	6.1
171.11740	6.8
173.09776	5.6
173.11771	3.2
173.13350	6.1
175.11226	11.2
177.12938	2.9
179.14362	4.8
183.11726	6.4
185.13329	5.9
187.11229	2.4
189.11302	7.2
191.14423	2.3
193.12260	31.7
197.13298	3.8
211.13329	33.6
211.15117	3.6
213.16545	2.2
222.53452	2.2
227.12871	5.9
229.19627	6.4
233.15479	3.1
239.18034	4.5
247.20639	4.3
257.19077	14.7
267.15912	17.5
275.20084	50.2
285.17068	5.8
293.21100	3.0
297.22385	2.5
299.20105	4.6
315.23331	4.9
331.22769	3.1
349.23669	12.0
389.88303	2.0
449.30557	6.3
461.29041	6.6
467.31589	6.7
485.32938	2.5
523.34235	3.4
541.35352	38.6
559.36389	100.0
560.36841	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
53.55716	4.2
55.01867	21.2
55.05512	35.7
57.03425	15.7
57.07087	4.1
65.03940	6.8
67.05505	77.2
69.03431	4.3
69.07063	44.4
69.84747	5.1
69.85074	8.0
71.04990	9.5
71.08648	4.9
73.48009	3.7
74.77209	3.5
79.05492	84.8
80.38390	3.6
81.03407	57.2
81.07062	87.2
83.04973	13.6
83.08614	32.6
85.06543	4.9
85.84674	3.5
91.05478	100.0
92.00083	3.7
93.07045	86.4
95.04974	45.1
95.08605	62.0
97.02897	6.4
97.06526	30.5
97.10170	9.8
99.08104	4.7
105.07024	88.6
107.04981	23.5
107.08598	54.0
109.06521	10.5
109.10145	25.7
111.04455	6.0
111.08095	9.5
113.09634	4.3
117.07014	32.2
119.08580	65.9
121.06502	14.6
121.10125	34.2
121.95379	3.8
123.08092	8.1
123.11728	5.6
125.09623	9.1
129.07014	14.1
131.04663	3.6
131.08543	38.1
133.10132	47.3
135.08061	8.2
135.11674	52.0
139.27554	4.3
143.08580	12.5
145.10121	39.9
147.08014	6.5
147.11700	38.4
149.09639	10.9
149.13237	7.6
151.11115	6.0
155.08519	4.6
157.10110	16.3
159.11644	24.2
161.13251	23.4
163.11186	46.4
171.11673	9.7
173.13235	10.7
175.11172	6.6
175.14812	11.3
177.12715	6.5
179.14302	7.9
181.12215	8.6
185.13277	11.5
187.11220	4.3
193.12296	16.7
197.13295	6.1
199.14742	6.0
211.13281	10.9
225.84222	3.6
227.12764	76.6
231.21043	5.1
241.19456	19.6
242.34534	5.1
246.92526	4.5
257.18994	9.2
259.20596	56.1
261.15536	4.1
267.15900	38.7
275.20047	67.6
283.15375	30.8
291.19699	6.7
293.21112	22.8
315.22937	7.1
330.66125	5.0
333.24216	52.5
349.23703	29.1
392.60672	4.7
449.30374	5.4
541.35229	72.6
559.36383	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79589	0.5
65.03939	1.8
69.03420	0.7
70.47257	0.9
81.03438	2.9
85.02911	1.1
95.04956	2.0
97.02877	0.7
102.29472	0.5
105.07014	1.0
109.02895	1.6
111.04456	1.8
121.02876	100.0
121.03891	3.1
122.03225	1.1
133.06503	1.3
139.03886	2.2
171.89772	0.5
265.07135	2.0
271.09668	26.7
289.10748	1.5
377.56876	0.6
397.25284	1.3
398.26013	2.0
399.27179	3.4
415.14056	2.5
415.18707	0.6
433.14969	4.2
559.30988	3.2
560.31451	13.6
561.23840	1.2
561.32343	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	560.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.4
65.03954	2.7
69.77776	3.9
77.12084	1.0
81.03416	3.7
83.04977	1.3
85.02925	1.1
95.04962	1.6
98.23416	1.9
100.11231	1.8
105.07034	2.0
109.02882	2.5
111.04438	3.0
121.02879	100.0
139.03941	3.5
151.07561	1.2
182.15341	2.5
209.16484	1.4
210.14992	1.4
256.94360	1.2
265.07120	2.5
271.09698	29.6
336.25998	1.8
360.37613	1.2
397.25568	3.4
398.25986	4.0
415.14127	2.6
433.14935	7.6
498.31192	2.0
550.87549	3.2
551.37854	1.3
559.30914	8.5
560.31415	32.1
561.32263	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	561.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06029	0.6
54.63500	0.6
66.07630	0.6
69.35435	3.1
94.93017	5.2
96.92850	3.9
98.23433	1.4
98.97573	1.2
106.66215	0.6
108.08193	0.5
113.72627	0.6
127.07349	0.6
136.94003	2.8
157.96381	0.6
162.95543	0.7
176.93521	1.3
206.98244	1.3
208.88484	1.8
214.48654	0.7
222.94022	1.0
248.89685	2.1
250.89485	14.1
250.97244	1.0
268.98248	100.0
269.98480	1.4
303.89725	0.8
348.97156	0.6
355.97791	0.6
362.27469	0.7
380.92465	0.7
387.04675	4.3
389.04681	2.8
495.19211	0.7
561.03699	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	561.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06509	0.4
69.03449	0.5
69.31239	2.5
71.73123	0.5
73.72745	0.4
81.03422	1.0
81.07037	0.4
98.22766	0.7
98.66850	0.4
105.07025	0.7
109.02827	0.5
121.02871	22.9
121.03788	0.8
122.03204	7.0
139.03902	0.8
152.44591	0.4
210.16618	0.4
234.41058	0.5
271.09653	4.3
272.10010	4.4
331.19055	0.4
337.27185	0.7
381.26184	1.9
393.02487	0.5
399.27176	51.9
400.27533	1.3
416.14529	0.5
434.15308	1.2
459.16449	2.3
501.30142	0.8
543.31158	1.0
561.23145	8.6
561.32349	100.0
562.24377	0.9
562.32556	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	562.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97543	1.2
54.82435	1.4
55.01870	3.5
55.05512	12.6
57.03439	12.4
58.56660	1.4
60.44765	1.3
67.05508	17.2
69.03429	3.1
69.07063	4.6
79.05499	16.2
81.03416	84.6
81.07056	18.1
81.82029	1.2
83.04981	9.9
83.08620	20.6
85.02905	10.3
91.05478	27.5
93.07033	11.0
95.04414	2.3
95.04971	28.1
95.08604	5.8
97.02872	3.0
97.06549	1.8
97.10160	6.4
105.07031	17.8
107.04922	6.7
107.08588	5.3
109.06499	3.4
109.10123	2.9
111.04435	2.0
111.08083	9.4
117.06983	2.8
119.08581	16.1
121.06499	4.5
121.10148	8.1
123.08078	3.1
123.11688	1.8
125.09648	3.0
129.06990	13.2
131.04915	1.4
131.08575	11.1
133.06477	2.7
133.10139	8.0
135.08055	2.4
142.07747	3.0
145.06505	3.7
145.10124	2.6
147.08028	4.2
147.11676	12.0
148.74951	1.5
149.09647	6.8
157.10165	12.1
162.96045	1.4
165.12820	1.7
171.11684	1.8
175.11183	12.0
186.29309	1.6
193.12254	35.3
211.13277	16.3
212.11528	1.3
249.14708	2.2
267.15909	100.0
273.14722	3.2
285.16956	23.7
339.23245	1.8
349.21719	2.3
363.36838	1.9
367.22745	9.5
385.23724	10.8
389.16577	1.6
403.24646	2.3
433.25830	7.9
441.26260	3.4
459.27420	53.3
460.27628	2.3
465.05624	1.6
477.28519	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03956	1.6
55.01879	1.2
55.05519	12.7
57.03447	4.1
57.07082	2.1
58.50780	0.8
59.04999	1.6
61.02937	0.8
65.03943	2.5
66.15564	0.7
67.05507	62.1
68.05849	1.2
68.86064	0.7
69.03423	1.6
69.07073	8.8
69.74222	1.4
69.74552	1.0
71.04996	47.3
71.08634	1.0
77.03956	1.0
79.05499	22.0
80.05817	0.7
81.03430	1.9
81.07061	100.0
82.07393	2.1
83.04985	6.5
83.08626	9.3
85.02988	0.7
85.06551	11.3
85.32274	0.7
87.04463	1.0
91.05482	34.6
92.05782	0.7
93.07050	21.9
93.07605	1.5
94.07383	0.8
95.04969	3.8
95.08607	11.3
97.06525	6.9
97.10171	1.8
99.08109	1.9
101.06026	0.9
105.04550	1.3
105.07030	16.0
107.07922	1.4
107.08603	19.4
109.06519	2.6
109.10171	9.6
111.08084	2.4
117.07012	4.1
119.08609	2.0
121.10146	6.6
123.08119	1.1
123.11708	20.7
125.09660	2.1
131.08594	6.0
133.10135	27.9
135.11682	5.3
145.10120	1.4
147.11736	1.7
149.13278	8.5
151.11185	13.6
159.11726	7.1
162.88702	0.9
169.12242	1.9
177.12822	2.4
179.14337	0.9
183.13805	7.8
187.13297	5.3
195.13795	4.6
201.14955	1.9
213.14992	1.0
213.27957	0.7
225.14844	2.4
227.16464	1.6
228.68991	1.0
229.14357	1.3
257.17545	2.6
269.17584	4.7
283.19049	1.3
285.16907	1.0
301.20093	34.1
393.26550	1.1
397.25906	1.3
425.29095	5.7
437.29108	4.5
451.30585	4.5
463.30429	3.8
464.30887	1.1
469.31638	89.9
470.32040	4.7
483.33295	10.0
495.33286	14.7
527.35870	38.2
528.35852	1.7
544.36945	2.4
562.34790	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	563.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60850	0.7
67.05490	0.8
68.16462	0.7
69.19682	1.1
69.20097	2.6
70.41914	0.5
75.22660	0.5
82.51102	0.5
85.02917	0.8
91.60705	0.5
93.07057	0.8
95.08629	0.7
98.23427	1.4
105.07065	0.8
107.08566	0.8
133.10129	0.8
135.08066	0.7
147.58725	0.5
176.01152	0.6
221.07834	1.4
247.28555	0.6
255.75301	0.6
293.53552	0.6
355.06473	1.4
359.76385	0.6
401.12204	1.0
453.21069	1.8
504.95966	0.7
533.20184	1.9
545.31970	0.8
563.24799	100.0
563.33063	9.1
564.25232	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	563.2464
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
52.70700	0.3
53.83323	0.3
54.57575	0.3
67.05492	0.4
70.79740	0.6
81.07101	0.4
85.02887	0.5
91.05487	0.4
93.07108	0.4
201.89159	0.3
253.08612	0.7
276.11609	0.4
291.15625	0.7
309.16766	1.0
341.16501	0.5
345.53909	0.4
376.11404	0.4
399.89499	0.4
453.00610	0.5
453.21017	1.9
457.18121	0.6
459.16141	0.4
463.53339	0.4
563.24634	100.0
564.24854	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	564.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19963	0.6
57.03426	1.0
61.02926	1.8
65.03933	1.7
69.03423	4.0
71.04987	0.7
71.44778	0.7
73.02892	0.8
81.03423	1.2
83.05035	0.6
85.02912	20.4
85.06552	22.1
91.03958	2.1
93.03446	0.7
97.02901	6.0
99.04419	1.5
105.06995	0.8
106.93903	0.8
109.02888	1.7
111.04469	0.8
111.37215	0.6
121.02878	64.1
122.03223	0.8
127.03919	6.0
139.03914	100.0
140.04311	0.7
145.04968	11.1
147.04512	0.8
151.07553	0.8
163.06010	4.0
181.92033	0.6
187.07576	1.1
205.08641	3.9
219.02948	1.0
229.10698	2.2
244.32013	0.7
247.02489	2.1
275.01886	0.7
337.13657	0.7
402.47470	0.7
564.20862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.9
57.03428	13.4
67.05152	8.2
67.05502	84.7
69.07062	23.8
69.51276	8.6
69.51694	12.8
79.05495	51.0
80.71351	3.9
81.07056	82.4
83.04978	7.7
83.08611	10.3
91.05486	30.5
93.07050	63.6
95.04965	9.1
95.08603	44.3
97.06551	9.6
105.07060	10.2
107.08599	38.0
109.10146	16.7
111.08047	4.8
117.07031	8.5
119.08585	14.5
121.10146	20.9
122.17213	4.7
131.08621	10.4
133.06541	4.8
133.10106	12.1
135.11674	8.4
137.09566	7.3
147.11696	9.9
149.12224	4.9
149.13257	22.7
159.11658	9.8
161.13229	4.7
164.66794	4.7
165.09131	15.0
175.11172	11.8
175.43878	3.9
177.12755	35.3
179.62180	3.7
185.72461	4.1
195.13814	8.6
205.01459	4.8
219.13770	28.3
261.22229	7.4
269.17499	50.1
327.19629	11.7
335.25815	75.9
403.30606	5.2
508.40918	4.8
525.01074	4.8
529.38904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77004	1.0
55.05513	4.9
57.03445	1.6
65.27914	1.0
65.87735	1.0
69.03448	2.9
69.10930	7.2
71.04995	6.9
79.05492	3.9
81.07068	1.4
83.04998	4.5
83.08624	36.1
85.02919	6.9
88.97459	1.1
91.05486	2.8
91.20426	1.0
93.07035	3.8
95.08645	5.2
97.02899	15.1
99.04464	3.7
105.07025	2.7
107.05005	1.5
107.08602	52.8
109.10161	3.8
119.08582	8.2
121.10131	5.1
123.08089	2.6
125.06020	4.8
125.09639	45.0
131.08542	1.3
135.11705	8.7
137.09621	4.6
139.07527	2.2
145.10182	1.6
147.08032	6.6
153.12766	7.5
159.11755	7.8
163.11200	10.5
165.09120	11.2
167.07004	1.5
177.12782	4.6
181.12239	31.9
187.11125	2.4
195.13812	2.0
205.12257	19.0
206.05258	1.0
207.13873	1.1
214.70859	1.1
223.13297	100.0
224.13713	1.4
350.27759	1.4
379.82468	1.2
566.19031	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	566.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
65.44876	1.0
69.03420	1.7
70.59735	2.2
71.04998	5.3
79.05493	3.7
81.07053	2.5
83.04967	4.2
83.08125	1.7
83.08621	30.0
85.02912	6.5
91.05487	2.9
93.07028	2.1
95.08611	3.5
97.02888	12.7
98.22784	0.9
99.04447	3.1
99.08137	1.2
105.07045	2.6
107.08595	46.1
109.06497	1.5
109.10182	1.7
111.04438	1.1
111.08112	1.4
119.08589	10.0
121.10147	5.4
123.08064	2.8
125.05997	3.4
125.09635	37.2
126.91484	1.0
127.03870	1.1
135.11668	6.7
137.09602	5.3
139.07573	1.6
145.10078	1.3
147.08069	6.2
149.09612	1.1
153.12773	5.8
155.15190	1.2
159.11664	7.0
163.11180	9.7
165.09103	8.9
167.06998	1.3
177.12787	5.6
181.12230	27.0
187.11121	1.3
189.12674	0.9
195.13786	3.7
205.04564	1.1
205.12225	18.3
207.13785	1.3
223.13289	100.0
224.13649	1.6
225.14905	1.2
356.50247	1.1
426.75555	1.1
566.19238	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	567.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01089	0.3
55.05519	0.3
57.03435	0.7
59.04980	0.3
67.05507	1.1
69.16408	0.8
69.16811	1.1
70.54227	0.3
71.05011	0.6
79.05489	1.0
81.03407	1.5
81.07060	1.5
83.08591	0.6
84.87016	0.3
85.02914	0.9
91.05504	1.5
93.07042	0.9
95.04963	0.6
95.08639	0.6
98.22608	0.5
105.07037	1.1
107.08636	0.7
119.08582	0.6
121.10157	0.9
123.11751	0.3
129.07013	0.3
133.10130	0.5
141.30705	0.4
147.11716	0.7
149.09636	0.9
157.10152	0.5
175.11218	0.7
193.12314	0.8
217.07195	0.3
233.11490	0.6
251.12442	1.5
267.15952	0.6
283.15146	11.7
285.17004	0.4
307.15280	1.3
339.17798	5.8
567.31403	100.0
568.31866	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	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
57.03440	0.8
67.05519	1.1
69.07076	0.2
69.16603	1.5
71.05001	0.7
77.63071	0.2
79.05485	1.2
81.03421	1.5
81.07062	1.7
83.04996	0.4
83.08626	0.4
85.02905	1.5
91.05461	1.3
91.69628	0.2
93.07025	1.1
95.05000	0.9
95.08625	0.9
97.06534	0.5
97.76534	0.3
105.07034	1.2
107.04959	0.4
107.08611	0.8
111.04514	0.2
111.08093	0.3
119.08603	0.9
121.10131	1.0
129.07011	0.2
131.08568	0.7
133.10168	0.6
133.90959	0.2
147.11711	0.9
149.09619	0.8
157.10139	0.7
175.11221	0.4
193.12296	0.6
211.13301	0.2
225.15001	0.3
233.11505	0.5
234.51392	0.2
251.12631	1.3
265.14178	0.4
267.15909	0.2
283.15161	9.7
284.15515	0.4
285.17035	0.5
292.21884	0.2
307.15106	1.5
339.17813	4.1
360.67844	0.2
477.24490	0.5
551.49194	0.2
567.31433	100.0
568.31879	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62603	0.6
67.05492	3.1
69.07070	1.0
71.05005	3.2
79.05486	0.9
81.07059	5.2
91.05492	1.3
93.07050	1.9
95.04998	0.7
95.08597	0.7
105.07034	1.0
107.08611	1.2
109.10209	0.9
111.35210	0.6
114.76801	0.7
133.10197	1.9
151.11279	0.6
159.11716	0.9
267.15695	7.4
323.18277	5.6
473.56982	0.7
495.29611	1.5
566.53369	0.8
567.35040	100.0
568.35474	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.05501	9.6
57.07066	6.1
65.03917	3.0
67.05504	20.3
69.03438	2.5
69.07072	13.7
79.05486	26.0
80.06294	2.2
81.07059	36.5
83.04990	2.2
83.08588	3.9
85.06520	3.6
91.05479	37.3
92.06292	1.7
93.07045	50.6
94.07844	2.1
95.04963	47.2
95.08603	26.6
97.06520	3.5
103.05445	2.3
105.04527	4.0
105.07024	79.0
106.07827	3.3
107.08591	48.5
109.06496	3.6
109.10148	20.6
114.84315	1.8
115.05412	4.1
116.06225	2.1
117.07027	25.0
118.07806	2.0
119.08577	100.0
120.09380	8.6
120.18016	1.5
121.06526	2.7
121.10142	26.3
123.08066	13.6
123.11694	4.6
128.06206	10.5
129.07005	15.8
130.07796	9.2
131.08556	50.9
132.09387	9.4
133.10124	56.6
134.10849	5.4
135.08038	5.9
135.11684	14.0
137.09586	1.8
138.10371	5.4
141.06984	6.4
142.07776	14.8
143.08559	49.3
144.09335	13.7
145.10121	88.4
146.10796	5.3
147.07973	2.5
147.11681	22.2
149.09651	4.1
149.13272	4.2
151.11160	3.5
153.06996	3.3
154.07741	2.2
155.08533	17.7
156.09319	17.5
157.10121	53.4
157.11391	3.0
158.10905	7.7
159.11681	33.9
160.12418	3.0
161.09633	7.7
161.13264	7.1
163.11191	3.5
165.06984	5.3
166.07785	2.4
167.08568	8.4
168.09317	5.5
169.10115	27.8
170.10921	9.2
171.11674	33.7
172.12396	4.6
173.13246	26.0
174.13713	1.9
175.11171	4.0
175.14819	12.3
177.12744	6.8
179.08566	8.5
180.09262	3.4
181.10091	15.3
182.10910	7.5
183.11687	30.2
184.12379	3.9
185.13249	21.6
186.14040	3.9
187.14766	11.9
189.12654	3.0
191.14299	7.7
192.09317	2.7
193.10118	9.9
194.10960	8.1
195.11703	16.3
196.12379	8.1
197.13280	24.2
198.13953	3.1
199.14796	9.7
201.12840	3.2
201.16440	4.4
203.14452	2.3
206.10892	4.2
207.11667	8.7
208.12416	6.0
209.13266	23.4
210.13857	2.8
211.14787	14.6
213.16374	4.7
215.14433	1.9
217.15967	4.1
219.11745	3.7
220.12479	4.1
221.13297	8.0
223.14793	7.5
224.15614	4.0
225.16370	6.4
229.15900	2.0
233.13277	5.4
235.14838	4.0
237.16315	5.5
239.17885	3.0
241.15636	1.8
241.19414	2.2
247.14580	2.2
249.16354	4.4
251.17830	2.0
261.16351	2.6
263.17816	2.1
264.18655	1.7
265.19595	2.3
275.17862	3.0
277.19556	4.0
285.22086	2.1
291.20990	2.0
305.00208	1.9
323.23450	3.9
338.26056	21.0
430.32224	7.1
451.59985	1.9
476.36575	7.9
568.42651	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	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50563	0.5
61.72842	0.6
81.07087	0.6
91.05487	0.6
185.04248	0.7
250.32701	0.5
266.46533	0.6
314.50522	0.6
407.23944	1.3
457.20471	3.2
471.21872	3.9
479.26410	1.2
487.21411	1.6
569.29303	100.0
570.29382	2.5
580.03613	0.6
591.87140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2939
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
54.52160	0.4
66.77897	0.3
70.62315	0.4
74.24205	0.4
80.63573	0.4
98.23462	0.6
115.90723	0.4
119.48231	0.4
184.22011	0.4
295.15417	0.4
331.09927	0.5
371.52802	0.4
391.49265	0.4
407.24194	2.0
457.20334	2.5
471.21695	2.7
479.26285	0.9
487.21530	1.1
569.29376	100.0
570.29980	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	570.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47780	1.6
55.01855	1.7
55.05501	2.5
57.03440	7.8
57.09424	1.5
69.03429	3.1
71.04997	61.6
71.90511	1.5
73.02937	3.0
75.04506	4.0
79.13686	1.5
81.03439	2.3
81.07079	1.9
83.04983	7.6
85.02911	77.3
91.05488	100.0
95.08652	2.1
97.02898	3.0
101.82663	1.7
104.96574	1.8
105.07027	2.8
107.04954	2.3
109.02861	2.1
111.04446	3.3
119.04931	4.6
119.08566	1.9
121.10111	2.0
127.03999	2.1
129.05482	32.3
145.05069	2.2
147.04449	19.3
147.06499	14.4
167.03406	4.0
201.56448	1.8
201.88708	1.5
245.08104	3.4
247.05984	2.9
247.58754	1.7
269.08047	5.3
293.07919	1.8
311.09116	3.8
337.10941	4.4
337.23715	2.6
353.10294	2.5
355.11664	2.8
371.11322	2.8
373.13306	3.7
390.06750	2.0
570.23889	2.8
571.22101	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	570.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
53.15507	0.4
55.01880	0.5
55.05504	0.9
57.03173	0.8
57.03433	7.9
61.02913	0.7
65.03928	1.6
69.03413	1.5
69.68008	1.3
71.04992	58.2
73.02905	1.8
75.04482	3.8
83.04984	6.7
85.02904	76.4
86.03217	0.6
86.49314	0.4
87.04469	1.1
91.05479	100.0
92.05823	0.8
97.02895	4.6
99.04453	1.4
103.03919	0.9
105.06959	1.1
107.04946	0.6
107.81500	0.4
111.04453	3.3
113.82150	0.5
120.08084	0.6
127.03902	2.4
129.05478	35.3
138.09048	0.6
145.04958	1.2
145.06509	0.5
146.08063	0.6
147.06512	18.7
161.04370	0.5
163.06082	0.6
164.09142	1.4
166.08774	0.5
167.03403	1.3
245.08075	6.0
249.53226	0.5
255.08505	1.6
309.11627	0.9
345.08932	0.5
569.28748	0.9
570.29071	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	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
56.67883	1.9
57.07076	46.2
68.70978	1.6
69.07057	7.1
69.57975	1.6
71.08634	49.9
73.06552	7.0
81.07047	3.6
83.08629	3.3
85.10182	28.8
87.04485	4.2
89.06030	100.0
89.86941	1.9
91.05476	2.1
95.72004	1.7
97.10185	2.5
99.11742	8.6
107.07047	3.2
111.11674	2.1
113.13284	6.3
117.09123	5.2
127.14845	2.7
130.08643	3.4
131.07088	1.7
133.08606	68.5
135.10170	2.0
142.04544	2.2
158.00302	1.7
177.11229	34.5
221.13834	8.1
239.14914	2.8
271.26276	4.9
283.17538	4.0
315.28979	6.9
327.20020	3.6
329.31827	1.9
371.22809	14.1
406.76413	1.7
553.43134	25.1
570.45648	2.8
571.35797	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	571.1451
Annotation	cudranian 2
Peak:m/z	Relative Intensity
65.03902	1.3
67.05518	0.6
69.03426	0.6
69.10868	2.3
69.11292	2.4
79.05486	1.0
81.07017	1.4
85.02868	1.2
91.05486	12.5
93.07039	2.1
95.04927	0.7
97.02889	1.4
105.28308	0.7
107.04964	2.0
107.08606	1.0
109.06537	0.9
117.07050	0.7
119.04944	26.3
120.62163	0.6
122.20834	0.5
123.08062	1.5
124.89435	0.6
133.10115	1.3
141.94638	0.6
147.04407	100.0
148.04704	1.2
153.01811	3.3
165.05457	11.1
171.11725	0.7
175.11118	0.7
196.09819	1.1
197.10756	1.0
211.12358	2.6
212.13139	1.2
218.73964	0.7
228.19020	0.6
236.53859	0.6
237.63316	0.6
274.72784	0.7
335.09546	1.1
373.18152	0.7
409.21655	0.9
570.36084	2.1
570.86639	2.1
571.28668	16.7
571.38397	13.8
587.65308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1945
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
60.93190	0.3
64.40437	0.3
98.23553	0.4
98.33781	0.3
116.64911	0.3
137.05997	1.3
138.06303	0.5
159.00182	0.3
310.11566	0.5
328.12723	0.5
345.13348	0.4
346.13809	0.5
560.32849	0.4
573.19421	100.0
574.19977	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	573.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99886	0.3
55.05512	4.3
57.03175	0.6
57.03438	7.3
61.02921	1.8
69.03432	3.6
71.01341	0.4
73.02918	15.2
76.66183	0.3
77.48888	0.3
83.08617	8.1
85.02904	3.7
87.04459	0.6
97.02889	2.6
107.08551	0.9
115.03931	1.3
123.04427	0.5
125.09715	0.8
127.03928	0.8
153.01807	0.6
161.06357	0.4
171.10214	0.5
175.11194	0.4
193.08411	3.6
200.07507	0.4
233.11557	1.9
287.84647	0.4
317.08481	5.4
333.08032	0.6
335.09464	1.3
336.04834	0.4
403.12021	3.2
441.17450	0.6
459.18317	0.6
487.17902	0.8
489.19531	1.0
545.22180	2.3
573.21466	100.0
574.21906	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	573.3036
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03951	1.6
55.01862	1.4
55.05512	5.1
57.03449	3.9
57.06812	2.2
57.07076	23.8
58.91374	1.2
60.97737	1.1
67.05502	12.9
69.07074	6.2
69.70296	1.2
71.08633	16.8
79.05491	6.3
79.07816	1.1
81.03423	3.3
81.07059	12.3
83.08614	5.7
85.06564	1.3
85.10189	9.9
89.06087	1.4
91.05478	6.3
92.05844	1.0
93.07043	5.7
95.04991	1.6
95.08618	15.8
96.90010	1.0
97.06533	2.4
97.10165	4.2
98.54544	1.0
98.98470	27.4
105.07066	5.6
107.08602	3.8
109.02902	3.2
109.10167	7.2
111.11759	1.1
117.07083	1.3
119.08622	3.1
121.10114	1.1
123.11709	1.6
129.07022	1.7
131.08600	1.6
133.10143	2.0
137.13289	1.1
145.10146	2.6
147.11658	2.3
149.09642	1.5
155.01042	22.3
173.02097	1.6
181.40906	1.1
209.35680	1.1
225.03957	1.1
227.12830	1.4
239.23729	3.2
257.19080	1.1
275.20093	4.2
281.17542	3.7
313.27368	100.0
314.27676	3.1
317.06308	3.5
335.07248	3.1
349.23502	1.9
384.24796	1.3
393.24158	5.3
537.27985	2.8
555.36609	3.2
573.36835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99208	0.5
67.05532	0.5
72.07551	0.5
76.36534	0.5
81.07076	0.9
85.02921	0.5
93.07057	0.5
110.27612	0.5
121.10229	0.5
162.90315	0.5
187.57904	0.5
304.98724	0.5
313.18488	0.5
335.64627	0.5
393.26117	1.1
411.22501	0.9
411.27142	3.1
529.33771	1.1
555.31256	0.8
573.32721	100.0
574.33252	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	574.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93816	1.1
57.65854	1.1
59.72852	0.8
68.44853	1.0
69.28715	5.9
91.05489	2.8
105.07059	1.0
115.05502	1.5
116.33121	1.1
119.04965	2.9
122.03635	1.7
129.07002	2.1
131.08627	1.6
133.02766	1.0
137.05998	31.2
144.05681	1.5
147.04453	3.7
149.05956	1.4
151.07567	3.7
154.00899	1.1
155.08598	1.9
157.06549	1.9
158.07350	1.4
159.08069	2.8
160.05264	1.2
161.05978	3.7
161.09625	1.6
163.07466	1.3
171.08092	2.2
173.09665	1.1
174.06839	1.2
175.07550	5.1
180.87543	1.1
181.04965	1.8
185.09590	2.2
187.07564	6.2
189.09183	2.1
191.07069	1.4
197.09625	2.5
198.06798	3.8
199.07516	2.5
201.09151	1.9
209.93300	1.1
213.09174	7.8
215.10686	2.8
217.08511	1.3
219.10175	2.1
225.09143	2.2
231.10126	1.6
243.10173	8.6
255.10422	1.6
263.10480	1.3
273.11273	13.3
277.08698	2.2
277.11966	0.9
284.63483	0.9
284.92950	1.2
291.10059	2.9
301.08475	1.2
302.09290	1.4
305.11938	1.7
307.09909	1.4
317.11630	1.5
323.12885	1.4
335.12811	1.7
338.79434	1.1
349.14291	2.3
351.12210	1.9
353.13736	2.0
354.14694	4.2
367.15472	3.8
379.15463	4.7
397.16501	100.0
398.16824	2.3
574.26361	4.6
575.30054	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	574.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05521	5.1
57.03442	2.4
57.07078	16.0
59.04987	0.8
67.05506	19.7
69.07067	4.6
71.04995	9.2
71.08637	9.0
73.92062	0.4
79.05496	4.8
81.07059	33.1
83.04984	0.9
83.08626	6.4
85.06541	3.1
85.10186	5.6
87.04485	2.4
88.74686	0.6
91.05478	8.3
93.07053	3.7
95.04967	0.7
95.08604	11.6
97.06531	1.7
97.10194	2.5
99.08094	0.5
105.07045	3.5
107.08584	3.8
109.06512	0.7
109.10168	6.4
111.08093	0.6
111.11713	0.5
117.06997	1.3
119.08736	0.4
121.10152	1.0
123.11702	7.5
131.08563	0.8
133.10138	5.9
134.69701	0.5
135.11716	1.1
137.13257	0.5
144.77676	0.5
149.13275	1.8
151.11154	2.9
159.11700	2.2
166.26151	0.5
169.12265	0.6
177.12741	1.4
183.13866	2.1
187.13307	2.6
195.13809	1.4
201.14839	1.0
225.14949	0.7
239.23718	1.3
257.17480	1.5
264.48428	0.5
267.69843	0.5
267.73026	0.6
269.17551	5.8
301.20093	23.2
313.27362	26.6
314.27792	1.1
429.05066	0.5
481.38895	100.0
482.39200	5.7
495.40570	3.6
507.40430	4.1
509.41473	0.7
520.47675	0.5
539.43079	56.5
540.43378	3.4
575.50146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05832	0.7
55.05492	0.9
56.96560	1.3
60.47541	1.0
62.40642	0.8
63.20359	0.8
63.80878	1.0
67.05506	1.2
69.23851	4.3
81.07083	1.0
91.05495	2.2
98.97602	2.7
105.07007	1.1
107.08566	0.9
134.86929	0.9
137.05998	3.4
169.04730	1.2
176.00815	8.6
193.45076	0.8
196.88966	0.8
213.08095	1.3
219.01675	1.0
231.09164	1.5
331.10074	4.0
338.23788	0.9
347.18985	1.5
365.20016	1.2
383.21716	0.9
395.21133	3.8
413.21967	2.8
429.11307	1.2
467.11566	2.5
531.18445	6.9
574.32648	1.5
575.16589	100.0
575.27704	56.6
576.17133	4.2
576.27521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82493	0.3
55.05528	0.3
69.03428	0.3
75.22968	0.3
76.70703	0.2
83.08635	1.0
84.08097	0.4
88.57827	0.3
93.07113	0.3
95.08648	0.6
97.02921	0.5
107.08662	0.5
123.08163	0.3
125.09692	0.4
133.34689	0.3
153.12721	0.4
153.34245	0.3
167.94456	0.3
180.97191	0.3
181.12296	0.5
191.10442	0.7
203.05313	0.3
223.09508	1.1
263.12543	4.0
275.07300	0.8
281.13727	0.5
317.08755	0.5
335.09543	5.0
371.16797	2.2
443.18945	3.7
503.21036	17.7
504.21747	0.5
517.19000	1.2
557.22241	0.6
575.23138	100.0
576.23395	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	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.4
55.05299	4.2
55.05511	49.8
57.03438	9.0
57.07073	8.6
59.04988	5.3
65.03937	7.3
66.34013	4.3
67.05505	100.0
69.03441	6.7
69.07072	32.6
70.52206	8.2
71.04975	20.2
71.08621	6.7
73.24275	3.7
77.03927	5.2
79.05497	63.7
81.03400	8.3
81.07056	97.4
83.04971	11.4
83.08620	24.2
85.06561	6.5
91.05482	65.7
93.07041	58.7
95.04953	15.9
95.08607	71.3
96.95341	4.1
97.06522	12.3
97.10168	23.0
99.08090	8.6
104.37053	5.3
105.07034	69.3
107.08613	42.7
109.06516	9.1
109.10153	33.8
111.08097	4.7
115.05460	7.3
117.07022	30.9
119.08572	42.2
121.06496	8.7
121.10142	30.7
123.08089	14.7
123.11697	8.6
125.09633	23.7
128.06218	8.1
129.07010	21.3
131.08562	34.8
133.10164	27.4
135.08009	15.3
135.11691	11.8
141.06944	6.7
142.07735	6.6
143.08611	22.6
145.06480	6.3
145.10146	36.9
147.07997	8.0
147.11688	18.7
149.09618	14.2
149.13263	6.6
151.11137	4.8
155.08542	13.8
157.10100	22.8
159.08215	5.9
159.11737	26.9
161.09576	7.5
161.13283	12.7
163.11185	7.1
169.10123	15.8
171.11678	19.5
173.09576	4.8
173.13261	14.1
175.14856	4.2
181.10114	8.8
183.11700	13.0
185.13286	12.2
189.11255	8.8
197.13348	4.9
199.14908	9.2
209.13322	8.5
225.16435	5.3
227.12698	18.3
237.16428	5.4
259.14929	4.8
273.18478	9.0
275.20041	7.6
283.15436	5.1
291.19479	9.1
299.23721	14.4
339.23111	4.5
349.23502	4.6
357.24179	4.3
415.29861	6.1
421.26071	7.3
433.30988	18.5
451.31842	14.7
466.12857	5.6
469.32971	5.9
507.34604	5.5
517.35248	28.7
525.35889	53.5
527.84235	4.9
543.36841	50.2
557.37781	15.8
575.38885	46.5
575.50098	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03946	0.3
57.03431	0.3
59.84517	0.2
69.03423	2.7
69.50895	0.2
71.05001	0.4
79.01849	3.5
81.03419	4.2
85.02910	1.6
97.02894	3.9
99.04443	0.7
107.01314	1.5
109.02872	3.7
121.02891	0.2
123.00632	0.3
125.02344	2.6
127.03923	5.6
136.07500	0.2
143.03398	5.3
145.04977	0.6
153.01826	100.0
153.02885	5.1
154.02141	1.3
164.07135	0.2
171.02887	8.6
201.05424	0.3
213.03931	0.3
214.00832	0.2
219.06693	0.3
233.04369	0.3
237.03894	0.4
244.77618	0.2
255.04956	0.4
261.04001	0.5
263.05673	0.3
279.04968	0.7
297.06046	7.4
298.06137	0.2
315.07077	4.4
449.06976	0.5
458.65137	0.2
467.08005	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	577.1191
Annotation	2,6-di-O-Galloylarbutin
Peak:m/z	Relative Intensity
51.02377	0.4
53.03946	0.3
57.03431	0.3
59.84517	0.2
69.03423	2.7
69.50895	0.2
71.05001	0.4
79.01849	3.5
81.03419	4.2
85.02910	1.6
97.02894	3.9
99.04443	0.7
107.01314	1.5
109.02872	3.7
121.02891	0.2
123.00632	0.3
125.02344	2.6
127.03923	5.6
136.07500	0.2
143.03398	5.3
145.04977	0.6
153.01826	100.0
153.02885	5.1
154.02141	1.3
164.07135	0.2
171.02887	8.6
201.05424	0.3
213.03931	0.3
214.00832	0.2
219.06693	0.3
233.04369	0.3
237.03894	0.4
244.77618	0.2
255.04956	0.4
261.04001	0.5
263.05673	0.3
279.04968	0.7
297.06046	7.4
298.06137	0.2
315.07077	4.4
449.06976	0.5
458.65137	0.2
467.08005	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01860	10.2
55.05507	47.1
57.03424	9.3
57.07072	9.8
59.05005	4.7
65.03948	5.6
67.05502	100.0
69.03400	4.1
69.07064	39.4
71.04990	18.2
71.08626	4.3
71.34011	3.6
79.05490	61.2
81.03422	6.7
81.07059	83.8
83.04968	8.4
83.08612	25.1
85.06536	7.5
91.04951	4.7
91.05482	57.2
93.07038	65.2
95.04961	16.5
95.08600	55.4
97.06542	9.7
97.10171	30.2
99.08072	3.5
105.07030	57.5
107.04971	6.0
107.08597	39.2
109.06519	5.7
109.10148	23.3
111.08055	5.6
115.05480	5.2
117.07026	24.6
119.08578	35.2
121.06487	8.2
121.10126	25.5
123.08093	5.6
123.11694	9.9
125.09617	29.6
128.06169	3.8
129.07001	14.5
131.08556	38.3
133.06509	4.3
133.10112	27.5
135.08040	9.3
135.11688	15.6
137.13258	3.9
143.08528	16.0
145.10146	19.0
147.08035	5.9
147.11687	13.0
149.09613	4.1
149.13260	6.2
151.11221	8.5
155.08563	12.2
157.06435	4.3
157.10114	11.3
159.10481	3.5
159.11696	15.0
161.13235	11.0
163.11234	7.9
163.14862	5.9
167.08589	5.8
169.10103	8.6
171.11690	12.0
173.09637	4.6
173.13278	14.9
175.11237	4.2
175.14822	6.1
177.12746	8.6
179.14320	7.2
181.10092	5.1
181.12064	3.6
183.11636	9.4
185.13249	12.7
187.14822	7.0
189.11188	14.6
189.16380	7.3
195.11734	5.8
197.13261	7.8
199.14819	10.3
201.12709	4.9
201.16444	6.1
203.17944	3.7
207.11699	4.5
207.86716	3.8
209.13290	3.8
211.14882	4.2
213.16382	7.4
223.14938	5.5
225.16348	8.3
227.12712	28.6
261.22165	6.8
277.21707	7.6
283.24274	5.4
301.25287	19.5
303.23062	4.0
315.23212	5.8
335.25885	5.9
360.83411	4.0
407.24173	4.7
421.25558	5.6
435.32642	20.2
453.33441	14.0
471.34695	12.4
491.37134	4.6
501.36023	17.0
509.35715	8.3
517.38434	5.2
519.36884	43.0
527.37207	50.0
528.37659	5.6
545.38391	70.5
546.38654	5.2
559.40118	28.2
577.41370	64.4
577.50513	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	578.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01876	1.8
55.05520	7.2
57.03435	4.5
67.05159	1.8
67.05509	25.1
69.03445	1.1
69.07069	3.8
71.05003	12.0
79.05509	13.1
81.03430	25.2
81.07063	37.0
83.04980	3.5
83.08625	8.8
85.06553	4.7
91.05489	15.9
93.07059	12.6
95.04974	13.6
95.08614	7.9
97.06528	3.8
97.10188	3.0
98.23090	7.4
103.05470	1.1
105.07045	11.1
107.04964	7.4
107.08606	7.4
109.06506	7.6
109.10171	6.0
111.08131	2.8
115.05449	1.1
117.07020	3.7
118.11700	0.9
119.08593	5.6
121.06512	5.9
121.10143	3.4
123.08102	2.7
123.11710	4.7
125.09618	1.9
129.06984	5.5
131.08577	7.8
133.06488	1.8
133.10149	8.3
135.08083	2.5
135.11684	2.4
137.09601	1.3
143.08578	1.7
145.06528	2.1
145.10139	2.7
147.08040	3.1
147.11710	4.0
149.09621	2.8
149.13281	2.0
151.11192	3.7
155.08514	1.1
157.10123	4.4
159.11798	3.4
163.11200	2.9
169.10091	1.3
171.11780	1.3
173.13261	1.5
175.11243	5.1
183.11749	1.3
183.13795	1.6
185.02362	0.9
186.15492	1.0
189.11293	1.7
191.14340	1.4
193.12238	6.2
197.13248	1.2
197.97633	1.0
203.14365	1.1
213.12889	1.2
217.12381	1.0
217.15927	1.1
219.13860	1.3
222.51335	1.1
257.17587	1.3
267.15915	13.7
269.17410	1.6
275.16672	1.2
275.20026	1.2
301.20142	6.6
325.21405	1.1
343.22598	4.9
351.22858	1.3
361.23978	1.5
369.24448	2.3
387.25320	1.1
407.25421	1.2
417.26541	6.1
425.26855	1.5
435.27475	24.2
443.27960	10.6
461.29007	100.0
462.29559	6.1
480.30551	2.0
493.31610	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	578.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.05507	15.3
57.03440	8.2
67.05503	45.2
69.07068	9.8
71.05003	3.2
79.05499	40.0
81.07056	40.0
81.79147	2.3
83.04959	3.9
83.08613	11.7
87.96804	2.8
88.48672	2.8
91.05473	12.7
93.07035	43.9
93.98799	2.7
95.04984	8.6
95.08603	47.8
97.02875	2.5
97.06528	5.7
98.23438	9.5
99.04462	3.5
105.07024	13.7
107.04949	7.0
107.08598	28.3
109.10175	11.7
114.45760	2.5
117.07062	5.8
119.08562	13.2
121.10140	17.0
123.11726	3.1
131.08612	4.1
133.10156	10.3
135.11696	48.9
140.33243	2.5
144.87267	2.4
145.10146	23.5
163.11186	51.5
164.63448	2.9
181.12212	10.6
197.42543	2.3
227.12784	93.4
261.22150	6.3
265.02658	2.5
274.64276	3.0
283.15411	73.2
284.15652	3.5
335.25809	100.0
394.10938	2.8
477.55072	2.9
543.36823	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1506
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02374	0.5
51.81248	0.5
52.45582	0.6
52.48462	0.6
53.03953	0.6
55.01867	1.2
67.01865	1.0
67.05508	0.9
68.99804	4.3
69.65127	2.2
74.97982	0.5
77.03947	0.6
81.03429	1.8
89.03922	1.1
91.05537	0.6
93.03416	0.7
95.04957	1.5
98.22854	1.0
98.23409	0.7
107.04992	3.1
109.02894	3.5
111.00835	2.2
111.04446	2.2
115.05452	0.6
117.03388	1.5
119.04946	1.1
121.02864	1.6
123.04440	34.1
127.03925	100.0
127.28004	0.5
131.04953	1.7
135.04428	31.2
137.02362	2.7
137.03400	0.5
139.03909	40.6
141.07071	1.1
143.04935	0.6
147.04413	5.8
149.02353	3.6
149.06018	1.9
151.03900	6.2
153.01839	3.5
155.04942	0.7
157.06483	0.9
159.04427	2.8
161.05934	3.4
163.03922	31.6
164.04289	0.7
165.05464	5.1
167.03415	6.8
169.06480	2.5
173.06020	2.7
175.03859	2.8
177.05475	2.8
179.03426	2.8
183.04451	1.0
185.06036	0.9
187.03886	6.6
187.05118	0.6
189.05495	2.3
191.03407	8.2
193.05002	2.6
197.05994	3.3
201.05467	5.8
203.03397	5.6
203.07048	0.9
205.05002	2.5
207.06544	1.6
213.05544	1.2
215.03366	0.8
215.07045	2.2
217.05009	1.1
225.05495	1.4
229.05025	6.4
231.06622	1.8
233.04419	4.2
243.06554	4.4
245.04478	3.8
247.06049	11.0
251.05408	1.1
253.05045	0.8
255.06548	1.0
257.04474	8.0
258.05185	1.2
259.05988	7.2
261.07568	0.7
269.04480	2.1
271.06046	17.5
273.07724	1.3
275.05521	12.2
283.05948	4.7
287.05533	15.7
289.04044	0.7
289.07120	11.6
291.08685	11.4
299.05515	2.6
301.07071	10.4
303.08673	1.6
360.11469	0.7
409.03870	1.1
409.09192	17.8
411.10635	2.3
415.08939	2.2
421.08890	1.3
427.10309	5.8
433.09103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
67.01871	0.9
68.99800	3.3
69.81711	0.9
71.46258	1.1
81.03397	3.2
89.03916	1.5
93.03400	1.8
95.04954	1.3
99.04460	1.2
107.04948	3.6
109.02880	3.1
111.00833	2.0
111.04449	2.1
113.85597	0.9
116.98632	1.3
117.03385	1.5
123.03520	1.4
123.04427	37.8
127.03912	100.0
128.04247	1.3
131.04897	2.4
135.04413	30.6
137.02344	3.1
139.03899	49.8
145.02843	1.3
147.04398	6.9
149.02318	4.3
149.05977	1.8
151.03909	8.0
153.01843	9.5
159.04427	2.3
161.05998	3.1
163.03905	37.6
164.04391	2.2
165.05486	7.0
167.02115	1.2
167.03368	7.0
169.06438	2.0
173.06050	2.1
175.03903	3.6
177.05502	2.2
179.03462	2.3
179.07066	1.3
185.05888	1.5
187.03862	7.2
188.04308	0.9
189.05482	2.5
191.03358	10.8
193.04964	3.2
197.06003	2.7
201.05469	6.0
203.03365	8.0
203.07117	1.6
205.04968	3.1
207.06538	1.4
213.05470	1.2
215.03299	1.3
215.06993	3.3
217.04865	1.2
225.05397	1.5
229.04961	6.8
231.06485	1.4
233.04445	5.9
241.04871	1.5
243.06580	6.4
245.04483	5.5
247.06012	15.3
250.44156	0.9
251.05356	2.7
251.88133	0.9
255.06406	1.7
257.04477	7.3
259.06070	10.1
266.72626	1.2
269.04291	1.1
271.06021	16.7
275.05508	14.6
283.06046	6.3
287.05478	19.9
289.07053	14.0
291.08536	13.8
299.05310	2.8
301.07062	11.7
303.08627	3.0
409.09186	22.5
411.10556	2.0
415.08856	8.2
421.09052	1.1
427.10266	7.0
439.10086	1.2
574.02142	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	579.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74349	0.9
56.96566	1.1
60.46828	1.0
63.91351	0.9
69.03426	1.3
73.03713	0.9
73.27815	0.9
75.42112	0.9
97.02893	1.5
98.97585	3.6
111.30195	1.0
116.98630	2.1
121.79154	0.9
123.04443	1.0
127.03925	5.1
135.04395	1.5
139.03906	1.3
143.01936	2.8
146.99763	1.1
153.01822	3.8
161.02945	2.4
163.03909	3.6
219.01784	1.2
229.03891	1.7
232.96643	1.3
271.02951	1.6
287.11017	100.0
288.11505	1.2
315.10547	7.7
343.05530	1.3
433.08463	1.1
553.26862	1.3
580.99353	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	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.7
57.03433	4.6
67.05504	41.7
69.07075	9.6
71.05019	5.0
71.08634	16.5
79.05494	34.1
81.07059	43.5
83.08629	11.8
87.55315	3.7
88.13938	4.0
91.05483	19.4
93.07042	47.7
95.04995	7.6
95.08628	19.9
97.06528	4.9
98.22572	8.6
99.08112	14.1
105.07040	10.1
107.08609	24.4
109.10166	5.6
117.06970	4.4
119.08581	11.1
121.10149	13.8
131.08563	7.6
133.10143	9.2
135.11734	11.8
139.33932	4.1
149.13275	14.1
151.11208	8.0
159.11711	8.9
161.13184	4.2
171.11656	4.3
179.14304	31.9
195.13864	4.7
236.23056	5.1
259.20633	7.5
269.17496	47.4
277.21713	22.0
351.25266	16.9
379.65875	4.6
418.70465	4.4
545.38409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52213	4.1
55.05517	25.4
57.03424	14.0
57.07058	7.6
67.05505	73.9
69.07058	30.3
71.40431	5.5
79.05492	52.0
81.03414	6.2
81.07056	67.3
83.04960	6.3
83.08619	18.5
90.19344	5.9
91.05013	4.9
91.05473	32.9
93.07046	54.0
95.04981	10.8
95.08605	66.5
97.06537	10.0
97.10145	10.4
105.05217	5.3
105.07023	18.6
107.04968	5.1
107.08576	35.3
109.10146	24.0
117.07005	7.5
119.08591	29.5
121.10147	24.7
123.11705	8.8
125.35514	5.0
129.07005	5.5
131.08551	9.6
133.10143	14.6
135.08054	5.1
135.11703	45.2
144.33263	6.9
145.10139	21.4
147.11679	11.7
149.13248	6.9
163.11188	49.2
175.11165	5.8
181.12239	5.8
227.12784	80.5
258.08878	4.9
261.22168	6.7
263.23965	5.3
283.15408	87.2
285.16928	33.7
335.25748	45.8
337.27341	95.9
383.25977	4.7
471.44305	5.0
545.38336	100.0
568.43420	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	581.1501
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
51.41975	0.2
57.03427	2.3
59.91025	0.3
61.02926	1.4
68.99780	0.5
69.03431	2.7
70.00270	0.6
70.00636	0.5
71.01353	0.3
73.02913	3.5
79.05504	0.3
81.03404	0.5
85.02905	5.4
97.02890	3.6
99.04500	0.3
100.37558	0.3
107.04964	0.4
109.02888	0.4
111.00819	0.6
115.03943	1.7
121.02893	2.6
127.03911	1.2
136.02304	0.4
137.02316	0.6
140.20047	0.3
145.04965	1.3
147.04472	0.4
153.01842	3.2
165.01814	1.4
175.99200	0.3
183.02870	1.0
213.05463	1.2
231.06578	0.5
241.04950	1.1
258.05176	1.4
259.06073	0.5
265.12399	0.4
287.05490	100.0
288.05743	1.8
299.05396	0.4
325.44061	0.3
329.06522	0.4
407.23203	0.7
449.10892	0.3
491.29160	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	581.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31749	1.8
53.03946	3.3
55.01872	5.5
55.05515	28.3
57.07076	2.7
59.04998	3.1
67.05515	19.3
69.03439	10.8
69.07052	11.4
69.07375	9.7
71.05003	7.0
79.05508	20.8
81.07070	20.2
83.04985	12.8
83.08629	31.4
83.09109	3.0
85.02973	1.9
85.06546	3.6
91.05486	26.9
93.07053	32.1
95.04978	13.4
95.08620	29.5
97.06539	33.1
103.05511	1.6
105.04552	2.8
105.07039	42.8
107.08601	44.1
109.06547	4.9
109.10139	14.0
109.21367	1.7
109.95581	1.6
111.08094	5.5
113.09672	17.7
115.05482	5.5
116.06236	2.3
117.07014	8.8
119.04951	2.3
119.08590	41.4
121.06561	6.0
121.10155	22.6
123.08105	7.4
123.11722	3.4
125.09641	12.1
128.06241	10.1
129.07024	25.6
130.07797	5.7
131.08578	24.3
133.10144	18.6
135.08086	3.9
135.11681	5.9
137.09647	4.9
139.11194	18.6
141.07011	6.3
142.07787	21.9
143.07033	1.5
143.07310	1.7
143.08577	30.8
144.09352	21.4
145.06461	1.8
145.10133	34.2
147.08078	2.9
147.11696	9.4
149.09680	5.1
149.13338	2.5
151.11172	2.5
153.07054	5.4
153.12791	6.8
154.07785	4.7
155.08578	17.1
155.10649	18.4
156.09387	12.7
157.10149	44.5
158.10846	1.8
158.59622	1.6
159.08113	4.4
159.11713	15.1
161.09663	3.9
161.13283	3.5
163.11203	2.8
165.07008	10.4
166.07771	4.1
167.08575	11.4
168.09386	5.7
169.08795	3.4
169.10132	23.1
170.10962	6.6
171.08141	2.0
171.11690	23.8
173.09752	4.7
173.13309	12.0
175.11235	3.6
178.07742	3.4
179.08582	17.0
179.14410	4.7
180.09381	8.6
181.10173	18.9
181.12288	17.6
182.10982	6.7
183.11702	24.3
184.12534	2.9
185.09746	4.1
185.13268	14.2
187.11174	2.0
187.14825	4.2
189.12831	3.5
191.08557	2.3
191.14374	2.2
192.09361	6.0
193.10164	16.5
194.10918	11.9
195.11761	31.3
195.13838	7.2
196.12447	9.1
197.13274	21.0
199.14891	9.2
203.08577	1.9
205.10144	5.1
205.15955	4.0
206.10974	7.5
207.11728	15.7
208.12477	8.5
209.13263	28.3
210.13806	3.8
211.14798	12.4
213.12798	4.7
213.16383	2.2
215.14368	2.5
216.80217	1.7
217.10225	4.0
217.15892	3.1
218.10933	4.3
219.11719	7.9
220.12413	8.3
221.13316	16.6
221.15469	11.8
222.14050	6.2
223.14803	14.5
225.16451	6.7
226.13510	1.9
227.14294	3.1
229.15947	2.8
230.10867	3.2
231.11801	5.7
232.12578	5.0
233.13327	10.1
233.15399	3.0
234.14084	4.0
235.14842	12.1
236.15649	5.7
237.16458	9.8
239.14360	2.5
239.17989	2.8
243.11748	5.0
244.12666	3.9
245.13322	6.8
245.15475	2.8
246.14119	3.8
247.14838	7.6
247.17065	13.3
249.16490	6.7
251.14395	1.9
251.15271	2.1
251.17949	22.8
253.16142	2.1
255.11758	1.8
255.17476	3.2
257.13214	2.9
257.19046	2.6
258.14038	3.2
259.14914	5.2
260.15747	2.3
261.13913	1.5
261.16425	7.9
261.18832	2.2
263.18030	5.8
265.19617	3.8
269.13327	3.3
269.18994	22.6
270.14291	2.9
271.14886	4.3
273.16290	4.8
273.18863	4.0
275.17932	4.3
277.19565	5.6
279.17496	2.4
281.13171	2.1
281.19138	5.7
283.15115	3.1
283.20721	4.0
285.16263	3.8
287.17877	4.3
288.18765	1.8
289.19653	4.6
293.18878	3.7
295.20630	4.7
296.15555	2.0
298.17035	2.8
299.20367	12.9
301.19623	2.8
303.21170	1.9
307.20749	2.8
311.20322	10.3
312.20886	14.8
313.19351	2.5
315.21030	2.1
317.22699	2.6
319.20782	1.7
321.22525	2.1
325.19385	2.7
333.22470	2.4
335.23804	5.6
337.22247	2.7
347.23972	2.0
353.22595	2.1
355.24365	3.4
363.23196	2.7
373.25424	9.0
383.25919	2.5
395.27524	5.6
413.28552	15.4
437.30487	2.5
475.32104	2.0
479.32797	2.4
505.34769	2.9
563.38947	20.7
581.39972	100.0
582.40448	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	582.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30270	1.3
67.05508	4.5
69.03431	5.6
69.07074	1.8
69.48894	5.9
71.01362	5.9
71.05000	64.7
81.03428	5.0
85.02906	6.3
89.02405	21.0
95.04967	8.7
97.02906	16.8
99.04479	3.6
109.02905	9.1
113.06018	69.6
127.03919	12.6
127.84512	1.6
131.07051	100.0
132.07397	1.7
144.97992	1.6
145.04962	4.9
149.08102	28.6
177.05408	2.1
191.09167	4.6
239.09245	4.3
257.10233	23.5
275.11261	34.5
293.12387	8.5
320.19547	1.8
471.82944	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	582.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79860	6.1
55.05515	15.2
60.25833	5.9
67.05515	70.1
69.07082	27.8
72.27419	6.6
76.59752	5.6
79.05503	58.7
81.07066	79.9
83.04990	10.6
83.08644	12.0
85.06578	9.8
91.05498	35.5
93.07057	78.7
95.04987	11.3
95.08621	64.7
97.06537	11.0
105.07049	43.6
107.08627	58.9
109.10208	18.2
109.99210	6.1
117.07050	11.4
119.08597	43.6
121.10159	42.9
123.11729	9.8
131.08549	34.5
133.10147	18.1
135.08150	7.4
135.11723	18.5
143.08540	13.4
145.10161	32.5
147.11697	10.2
149.09676	7.6
149.13290	33.1
157.10156	19.4
159.11713	21.6
161.09569	6.9
165.12811	7.4
167.10689	15.6
169.10117	15.2
171.11763	6.5
173.13400	12.0
181.10114	13.6
181.12041	6.8
183.11801	13.2
185.13367	10.9
186.10526	7.6
194.11008	8.4
195.11736	13.4
195.13698	9.6
197.13336	9.3
199.14821	8.2
206.10916	6.8
207.11781	9.8
209.13326	14.5
221.15446	7.9
235.14760	11.4
243.21281	12.9
261.22247	20.2
269.17401	78.5
335.25946	51.5
350.78049	6.8
490.56491	6.8
529.38879	100.0
582.40344	43.9
583.41113	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	583.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	18.1
65.64272	0.8
69.03428	0.9
72.50499	0.6
84.95574	0.7
84.96041	8.6
95.77553	0.5
97.02897	1.0
98.97583	6.8
102.47038	0.8
102.97071	1.3
110.97543	0.6
113.06047	0.6
116.98619	4.2
128.98589	1.9
131.07021	1.1
134.99654	1.6
143.00189	1.0
143.03426	1.1
152.98599	1.1
153.00630	1.4
153.01831	20.1
153.02956	1.5
154.81628	0.6
158.99649	1.1
161.01221	1.7
162.97055	0.8
164.98631	2.2
167.00195	0.7
170.99657	2.3
172.44370	0.6
173.10727	0.6
176.98604	1.8
177.00645	1.7
179.00081	0.9
180.98071	4.9
182.99641	4.7
186.99127	0.9
189.00723	2.1
190.96457	5.7
194.99701	3.6
198.99127	9.6
201.00679	10.4
204.98204	1.4
208.97568	39.0
210.99187	2.5
212.97003	0.8
213.00694	7.5
217.00182	2.8
219.01685	3.0
222.99133	4.0
226.98634	100.0
227.98947	1.0
229.00204	6.7
230.98146	0.9
231.01845	0.7
232.97499	0.7
241.00179	18.6
244.99693	44.0
245.99919	0.8
247.01289	1.8
250.00217	1.1
250.98618	9.5
254.98007	1.4
259.01263	20.3
263.00751	28.0
264.01474	0.6
268.99670	19.2
271.01126	0.9
277.02301	4.4
283.01303	4.2
287.00873	10.7
292.99673	2.5
295.01236	0.9
296.99207	1.3
299.00589	0.9
301.02402	4.1
303.01227	1.0
304.99475	2.2
305.02347	1.2
311.00751	13.0
313.02634	0.6
315.00195	5.2
315.06931	0.9
323.00659	5.9
329.01828	18.2
330.02060	1.0
335.00784	1.0
341.01700	2.1
347.03012	1.2
353.01761	6.5
361.02396	1.5
371.02899	7.1
375.00208	6.5
378.99554	1.6
389.02188	1.9
393.01166	6.2
397.00769	2.9
402.99832	6.5
407.02869	4.2
413.04062	3.2
415.01678	2.9
421.00851	6.9
425.03851	2.5
431.04977	1.4
435.02142	3.5
439.01810	3.4
453.03265	2.4
463.01547	6.8
481.02853	5.5
523.03540	8.4
525.92200	0.7
541.05109	4.5
583.06049	7.2
583.21576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66773	1.8
69.67122	2.7
81.07061	1.0
85.02895	1.4
98.23012	2.9
100.20429	0.9
105.07060	0.8
109.10220	1.2
144.16742	0.8
257.57791	0.9
283.15082	1.2
535.14349	1.1
583.28894	100.0
584.29047	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84678	0.7
67.05507	2.5
69.07062	1.0
70.49218	0.9
71.05012	2.3
74.21785	0.6
76.01399	0.6
79.05509	1.0
81.03416	1.1
81.07061	2.8
82.13056	0.6
85.19881	0.7
91.05508	1.7
93.07059	1.9
95.08633	1.3
97.06567	0.7
98.22924	1.2
105.07024	1.0
107.08592	1.2
121.10260	0.8
133.10165	1.4
149.13290	1.1
159.11757	0.8
231.93874	0.8
267.15753	2.5
283.15164	11.7
287.53458	0.6
323.18405	1.3
339.17841	4.2
340.49670	0.7
485.28799	6.8
510.28250	0.7
583.34589	100.0
584.35126	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76194	1.4
55.05512	17.0
57.07087	9.0
59.05008	3.4
63.10312	1.5
67.05507	22.6
69.03435	5.2
69.07076	17.6
70.16919	1.6
71.04971	1.5
77.03924	2.1
79.05490	24.5
81.03445	1.6
81.07063	26.6
81.18398	1.5
83.04990	5.4
83.08617	10.1
85.06564	4.2
91.05477	46.5
93.07050	47.7
95.04987	12.4
95.08606	36.0
97.06541	4.0
103.05489	2.8
105.04543	3.2
105.07037	66.1
107.08601	42.7
109.06520	8.2
109.10168	16.8
110.96523	1.4
111.08080	3.9
115.05477	5.7
117.07013	17.7
119.08582	77.2
121.06524	2.1
121.10149	41.4
123.08057	12.7
123.11728	6.3
125.09668	2.1
128.06204	11.0
129.07021	13.3
130.07788	8.1
131.08563	30.0
133.06532	3.0
133.10135	38.7
135.08060	7.8
135.11691	13.0
137.09634	7.1
139.11211	3.3
141.06961	9.2
142.07788	20.4
143.08572	41.9
144.09378	5.7
145.10124	47.5
145.11209	2.5
146.10661	2.2
147.08038	10.9
147.11688	14.2
149.09712	4.4
149.13263	3.7
151.07558	11.5
151.11214	2.7
153.07019	4.9
155.08551	16.6
156.09312	16.4
157.10132	53.3
157.11394	3.2
158.10918	8.5
159.08113	3.6
159.11691	26.3
161.09653	5.8
161.13281	6.6
163.11235	7.2
165.06998	8.7
165.09123	19.0
166.07784	2.9
167.08571	11.4
167.10629	11.0
168.09332	9.1
169.10135	26.5
170.10909	11.6
171.11685	32.6
172.12187	2.0
173.09654	2.6
173.13255	21.5
175.11256	4.8
175.14891	5.0
178.07785	2.3
179.08583	12.7
180.09377	6.3
181.10158	20.7
181.12206	6.1
182.10947	7.7
183.11685	30.5
183.13083	2.3
184.12479	4.5
185.09579	2.4
185.13242	15.3
187.11159	2.8
187.14842	5.4
189.12791	4.6
189.16302	1.6
191.14357	9.5
192.09409	6.4
192.39351	1.7
193.10136	14.5
194.10922	10.2
195.11688	19.7
196.12442	4.0
197.13260	19.7
199.11221	2.5
199.14824	16.4
201.12823	2.2
201.16451	2.2
203.14281	11.6
203.65631	1.6
205.10217	4.3
206.10965	8.1
207.11740	17.5
207.13858	6.9
208.12444	6.6
209.10204	2.0
209.13284	28.6
209.15195	2.4
210.14020	4.9
211.11301	2.3
211.14821	11.9
213.16428	3.1
217.10312	3.3
217.15865	10.4
218.10928	3.5
219.11716	9.5
220.12543	6.5
221.13295	17.0
221.15434	47.6
221.17429	3.0
222.14088	5.6
223.14839	14.5
224.15562	2.4
225.16429	6.0
227.14323	3.5
227.18045	2.2
230.10873	2.9
231.11734	4.8
231.17548	3.2
232.12521	5.0
233.13330	10.9
233.15410	3.8
234.14091	4.4
235.14810	14.9
236.15707	3.1
237.16475	7.8
239.14552	2.1
239.17976	4.4
243.11778	2.4
244.12596	3.7
245.13286	6.5
246.14093	5.9
247.14818	8.6
247.17044	2.3
248.15576	2.8
249.16428	11.7
251.14212	1.7
251.18085	5.7
253.15877	1.7
255.17485	2.4
257.13333	2.7
257.18964	11.7
258.14142	2.1
259.14841	4.5
260.15793	4.2
261.16241	10.7
262.17307	2.6
263.17892	7.3
265.19528	10.8
269.19031	4.6
270.14081	1.6
271.14777	2.3
271.20917	1.9
273.16531	6.2
274.17041	3.3
275.17938	14.4
277.19601	4.4
281.19040	4.7
283.20526	21.8
285.16275	2.5
287.20300	4.6
289.19568	5.0
291.21036	2.2
293.19012	3.0
295.20654	4.4
300.20923	3.9
301.22031	2.6
307.20648	2.5
311.18018	1.7
315.21182	2.2
319.20505	2.9
327.20654	1.8
329.22632	2.3
331.24048	8.2
333.22385	2.3
347.23663	2.1
349.25314	7.2
352.23752	1.8
359.23584	1.7
361.25455	2.0
365.24808	2.4
375.26950	5.2
403.29910	3.5
425.28729	1.7
491.35223	6.2
503.35413	2.6
509.34360	3.1
547.39386	2.8
565.40552	20.0
566.41266	1.8
568.38660	2.1
583.41467	100.0
584.41815	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73235	2.1
53.03938	4.3
55.05510	14.8
56.20713	1.9
57.07072	13.1
59.05001	6.1
65.03942	4.6
67.05510	28.7
69.03425	5.3
69.07079	22.3
69.30698	11.8
71.05003	2.5
79.05487	35.5
81.07058	40.2
83.04993	8.9
83.08614	14.0
85.06538	9.4
87.04465	2.3
91.05475	50.5
91.64101	2.2
93.07042	60.4
95.04958	14.7
95.08598	35.7
97.06522	5.5
97.10133	2.0
103.05463	6.5
105.04546	2.8
105.07028	77.8
107.08596	61.1
107.09338	3.1
109.06535	10.8
109.10151	21.8
111.08028	2.9
111.10161	2.2
115.05434	7.4
117.07022	19.3
119.08577	100.0
121.06502	5.3
121.10141	54.1
123.08080	13.3
123.11666	4.8
125.06005	4.5
125.09641	4.9
127.22858	2.3
128.06226	14.9
129.06992	19.2
130.07785	8.0
131.08566	46.8
133.10143	35.5
135.08025	12.3
135.11688	17.9
137.09615	10.1
141.06990	11.0
142.07762	26.4
143.08559	47.0
144.09279	6.1
145.10123	58.8
147.08020	15.1
147.11647	20.3
149.09610	7.0
149.13252	3.4
151.07530	9.9
153.06982	5.3
154.07797	2.9
155.08562	23.7
156.09369	19.9
157.10124	67.5
158.10924	11.7
159.08066	7.2
159.11703	30.8
161.09633	8.4
161.13258	9.5
162.67905	2.0
163.11211	9.4
165.07002	7.9
165.09128	26.1
166.07761	3.5
166.76808	2.3
167.08531	12.4
167.10698	12.5
168.09335	12.8
169.10127	34.6
170.10884	8.7
171.11671	34.6
172.12289	2.4
173.09578	4.2
173.13252	37.7
175.11211	6.2
175.14777	11.6
177.12776	2.7
179.08479	20.6
180.09358	9.0
181.10095	18.7
181.12233	6.5
182.10876	8.5
183.11720	35.5
184.12482	5.4
185.09666	3.1
185.13239	25.5
187.11145	4.2
187.14819	7.8
189.12712	6.3
191.14304	10.8
192.09343	8.4
193.10158	18.8
194.10878	16.0
195.11691	33.2
196.12418	7.5
197.13280	25.6
199.14780	22.9
201.12773	4.4
201.16441	4.4
203.08534	3.0
203.14301	10.7
205.10136	6.9
206.10921	7.3
207.11697	29.3
207.13763	6.1
208.12489	10.9
209.13275	35.4
210.13997	5.8
211.14835	13.4
213.12756	3.4
213.16345	6.1
215.14270	3.0
217.10037	5.0
217.15906	13.5
218.10904	2.7
219.11719	10.5
220.12466	6.8
221.13243	18.3
221.15387	50.6
222.13895	5.2
223.14793	15.4
224.15446	3.3
225.12735	2.6
225.16393	6.8
228.07028	2.5
230.10968	3.2
231.11674	9.5
231.17406	3.1
232.12486	6.7
233.13216	10.6
233.15361	5.2
234.13963	3.9
235.14809	16.3
237.16388	9.8
239.18008	5.4
241.15929	3.5
243.11768	3.7
245.13213	10.6
246.14070	5.0
247.14807	13.2
247.16995	3.1
248.15471	6.6
249.16364	12.5
251.17902	5.1
253.15979	2.6
257.13177	2.7
257.19028	11.5
258.14026	2.5
259.14859	9.0
260.15619	6.1
261.16321	16.5
263.18024	10.7
265.19534	10.1
269.19016	4.5
271.14761	3.0
273.16299	6.8
274.16849	3.3
275.17752	15.1
277.19461	5.7
279.17395	2.9
281.18661	3.3
283.20538	24.3
283.71918	2.5
285.16159	3.7
287.17606	3.5
287.20370	4.6
289.19431	4.6
295.20493	4.2
297.21799	2.6
300.20981	2.8
301.19501	4.6
307.20602	2.8
321.22208	3.9
327.21158	3.4
329.22699	2.3
331.24228	8.0
347.23630	3.7
349.25247	11.7
375.26770	5.3
403.30142	2.8
427.30267	2.5
431.74200	2.5
491.35522	4.2
547.39185	4.7
565.40472	16.7
583.41809	87.5
584.41736	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	584.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06265	0.8
52.28529	0.8
53.03931	1.2
55.01874	1.4
55.05503	3.1
57.03431	1.2
61.02942	1.5
67.05501	4.2
69.03419	4.7
69.07059	1.8
69.14442	2.6
69.14851	2.7
71.05004	2.6
72.17230	0.9
79.05489	14.1
80.93354	0.9
81.03416	1.6
81.07062	8.9
83.04973	5.3
83.95352	1.0
85.02898	10.6
91.05476	4.9
93.07043	2.7
94.87717	0.8
95.04993	5.3
95.08611	2.1
97.02901	3.3
97.06539	4.1
98.22752	1.4
99.04464	6.1
105.07018	7.1
107.04941	19.6
107.08605	3.3
109.02909	1.3
109.06518	3.1
109.10156	25.7
111.04450	2.6
117.07019	1.2
119.08602	8.3
121.06504	1.6
123.04388	0.8
125.06004	3.8
127.03916	3.2
128.06239	3.2
129.07018	3.3
133.06554	1.2
133.10110	11.0
135.08046	1.7
137.09622	52.7
143.07079	1.7
143.08566	12.8
145.04976	3.9
145.10147	2.1
146.07275	1.4
147.08049	22.9
151.11227	0.9
159.08038	1.2
161.09616	100.0
162.09991	1.4
163.06088	1.5
163.07521	1.4
163.11143	3.4
165.09117	89.1
166.09500	1.2
171.08092	1.2
174.06721	1.3
179.10657	9.1
180.08649	1.0
183.10205	1.3
189.09119	13.2
197.11731	2.5
207.10159	86.3
208.10332	1.1
212.50850	1.0
225.11215	93.7
226.11525	1.5
243.12289	11.2
295.83356	0.9
387.16400	3.2
561.01691	0.9
610.53851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63618	0.7
60.24137	0.7
67.05515	3.0
69.03430	2.7
71.01360	4.0
71.04998	57.4
84.11450	0.7
85.02905	2.8
89.02399	10.9
92.13748	0.8
95.04977	5.5
97.02892	1.1
113.06011	45.5
131.07045	100.0
132.07379	1.3
151.19604	0.8
153.01822	1.4
163.03891	2.6
165.45676	0.6
183.79605	0.7
211.79251	0.7
272.99167	0.8
281.64310	0.8
390.93671	0.8
414.26312	0.8
580.12109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
56.31363	0.5
57.03410	0.5
60.68724	0.5
61.02924	1.0
65.03944	0.7
65.60040	0.5
67.05509	9.5
69.03435	6.7
69.07083	1.2
69.48919	1.1
69.49309	1.1
71.01357	6.1
71.05000	66.4
81.03422	4.2
84.08109	0.5
85.02916	7.6
85.06548	0.5
89.01862	1.1
89.02402	16.4
95.04977	16.7
96.37947	0.5
97.02902	7.9
99.04452	1.7
109.02892	5.5
113.06016	70.6
114.06345	0.6
119.35267	0.5
127.03936	8.5
131.07051	100.0
132.07402	0.5
145.04984	4.6
149.08101	16.2
150.71005	0.5
169.05005	0.6
173.08000	0.6
175.08772	0.5
191.09186	1.1
221.08115	0.7
239.09102	2.7
257.10236	13.7
275.11264	13.4
293.09277	0.9
293.12314	6.8
334.59491	0.6
387.16525	18.8
405.17633	8.6
585.03876	0.5
585.17297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03419	0.8
79.05486	1.5
81.03413	1.4
91.05471	5.2
98.22636	1.7
103.05473	0.9
105.07024	9.4
107.04947	6.7
109.02868	1.3
109.10175	1.0
115.05437	1.3
119.04949	22.8
121.02871	9.7
128.06239	2.3
129.06982	3.7
131.04904	1.1
133.06480	18.2
134.07272	23.2
147.04407	34.2
153.01822	1.3
157.06502	9.8
159.04420	2.1
177.05534	0.8
185.05974	18.7
191.32076	0.7
205.10109	1.1
215.08562	1.2
218.07219	1.1
233.09607	2.7
236.08269	1.5
237.09070	0.8
251.10579	1.5
261.09058	6.2
264.07907	0.9
279.10141	100.0
280.10400	3.1
297.11218	3.6
423.14294	2.9
441.15366	3.0
533.17059	0.8
586.28705	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	586.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66926	0.6
53.03950	0.8
53.69900	0.7
55.01871	4.3
55.05491	1.4
55.12223	0.7
57.03429	1.6
67.05499	2.7
69.03435	6.3
69.07067	4.8
69.42030	2.9
71.04989	1.6
79.05492	4.3
81.03421	1.7
81.07069	8.9
83.04990	1.4
85.02923	4.0
85.06542	3.6
91.05479	2.2
93.07055	11.3
95.04967	1.5
95.08598	4.5
97.02882	2.5
97.06546	5.9
99.04475	5.6
105.06349	1.0
105.07034	11.2
107.08603	23.8
109.02900	1.1
109.06529	4.9
109.10188	0.8
110.68957	0.7
111.08070	2.7
113.06000	2.7
117.07026	0.9
119.08588	3.2
121.06529	6.1
121.10154	13.9
121.23441	0.7
121.68456	0.6
123.08072	3.8
125.05978	1.3
127.03953	4.2
127.07545	1.8
131.08597	1.3
135.08069	1.4
135.11717	6.1
139.11200	1.9
145.10141	12.3
147.11653	3.1
149.05928	0.9
149.09636	7.1
151.07544	3.8
157.08505	0.7
163.11195	36.1
167.10695	13.8
169.08618	52.6
170.08900	0.7
173.09698	3.9
181.12239	12.6
185.11795	2.6
191.10670	17.7
209.11766	13.1
227.12796	100.0
228.13124	2.0
245.13835	3.7
299.67773	0.7
353.15988	3.3
371.17065	9.2
389.18045	17.9
576.67670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07079	34.1
67.05497	1.7
69.07057	1.8
69.09525	4.5
69.09946	3.0
71.08273	1.5
71.08636	22.4
73.06564	7.8
73.22517	0.9
81.07056	1.0
83.08626	2.9
85.10182	20.3
86.10526	1.5
87.04485	6.2
87.04930	1.1
89.06033	100.0
90.84296	1.0
97.10136	3.2
99.11726	4.2
105.10701	1.0
107.07074	3.4
107.34885	1.1
111.11696	1.1
117.09138	6.9
119.08685	1.2
130.08641	2.3
131.07056	2.6
133.08606	59.6
155.17943	4.3
161.11737	1.9
176.76396	1.3
177.11221	21.5
178.11415	1.1
196.41956	1.2
199.20535	4.6
221.13831	3.9
239.14880	2.2
243.23178	12.3
283.17480	2.9
287.25784	8.0
316.85349	1.0
327.20181	2.5
341.10123	1.2
352.08755	1.2
365.01312	1.1
371.22879	1.9
415.25452	6.5
463.09979	1.2
569.42566	12.2
586.44830	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	587.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40050	0.4
58.00406	0.3
66.71335	0.3
70.68999	0.4
70.69326	0.5
76.28965	0.3
79.99290	0.4
87.22175	0.3
88.04361	0.4
89.03944	0.6
89.63893	0.3
95.05009	0.3
102.67146	0.3
135.04462	1.1
137.84390	0.3
145.02866	0.9
163.03926	6.7
164.04306	1.5
169.04585	0.3
171.06281	1.7
185.04272	1.1
201.03758	0.8
203.05420	0.4
208.97652	0.4
226.98712	0.8
315.10590	0.4
333.11548	2.7
405.13779	0.5
408.78470	0.4
425.14169	1.8
461.16388	0.7
477.15677	1.3
587.19507	100.0
588.19763	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	587.3921
Annotation	(4R)-11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(8R)-8-hydroxyundecyl]benzoate
Peak:m/z	Relative Intensity
54.80395	0.6
55.05497	0.9
67.05499	5.5
69.07082	1.2
79.05508	1.4
80.18669	0.5
81.07056	4.4
91.05485	1.3
93.07040	2.3
95.08621	1.9
105.07006	1.0
107.08599	1.8
109.10195	1.1
117.07050	0.7
121.10121	0.7
123.08096	0.7
125.81263	0.6
131.08583	0.8
149.13306	0.9
152.43628	0.7
235.12959	3.0
291.15683	2.7
319.22440	2.4
335.26044	0.8
375.25146	2.2
400.06509	0.6
545.40619	0.7
587.39148	100.0
588.39441	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.05529	11.2
57.03185	1.9
57.03440	23.1
57.07078	50.1
67.05502	20.8
69.03413	2.1
69.07082	9.4
71.05002	2.1
71.08636	32.8
71.41483	2.6
75.20698	1.5
79.05493	11.6
81.03419	97.7
81.07056	30.4
83.04993	5.9
83.08626	26.4
85.10181	16.3
89.06040	3.9
91.05479	17.9
93.07063	8.5
95.04971	23.8
95.08612	21.4
97.10162	5.4
103.07555	2.7
105.07033	14.8
107.04929	3.5
107.08591	4.9
109.06532	2.6
109.10172	9.6
111.08088	6.6
114.70710	2.0
119.08595	9.8
121.10171	6.1
123.11718	4.0
129.06993	10.1
131.08551	10.1
133.06488	4.0
133.10123	5.9
142.07745	2.9
147.08037	3.2
147.11694	7.9
149.09627	3.0
157.10155	9.3
175.11165	9.8
193.12279	26.3
249.14944	3.1
257.24792	3.2
267.15909	100.0
313.27374	90.4
313.30399	1.7
314.27374	1.9
456.90771	1.8
505.31580	3.3
505.38907	66.3
506.39194	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	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.8
56.46564	3.1
57.03426	10.4
57.06852	2.6
57.07079	24.1
61.79515	2.9
67.05495	11.8
67.05819	2.9
69.07072	7.1
71.08630	18.8
79.05484	9.0
81.03413	45.6
81.07046	14.9
83.08598	12.1
85.06566	3.5
85.10185	12.0
89.06031	4.3
91.05466	8.5
93.07014	5.4
95.04964	10.2
95.08601	13.2
96.43399	2.7
97.10155	3.9
97.75150	2.8
105.07014	11.1
106.05654	3.5
107.08561	4.6
109.10144	5.5
111.08095	5.2
114.56182	2.9
119.08547	8.8
121.10113	6.1
127.87492	2.7
129.06979	4.3
131.08594	6.4
133.10078	5.8
147.11658	8.5
147.93686	3.2
157.10112	3.5
175.11215	7.3
193.12238	13.7
242.19949	3.3
249.14668	3.4
259.20563	7.1
267.15915	100.0
281.83606	3.2
313.27365	95.6
314.27722	10.8
333.24582	3.4
468.32330	3.2
505.38828	79.9
506.39536	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	591.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33701	1.6
74.20513	0.3
77.29005	0.3
103.14268	0.4
143.03113	0.4
185.04199	0.6
203.05252	3.9
249.11009	0.6
267.12045	10.7
309.13126	1.5
367.17303	5.9
369.15265	0.8
393.15283	0.6
411.16223	3.0
425.99686	0.3
429.17337	33.8
430.17490	1.0
471.18393	0.4
557.21692	1.1
591.22577	100.0
592.22955	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	592.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48099	5.5
55.05509	16.6
57.03434	9.8
64.22834	5.3
67.05496	43.4
69.07056	17.9
69.38196	28.1
71.08626	17.0
77.99439	5.7
79.05493	49.5
80.21193	5.3
81.07057	51.8
83.04979	10.9
91.05476	32.1
93.07040	52.7
95.04964	24.5
95.08610	21.9
97.49983	5.6
99.08086	13.3
105.07041	31.3
107.08586	15.8
109.06566	8.0
109.10149	10.8
113.39890	5.3
119.08598	16.2
121.10128	14.5
130.54395	6.3
135.11682	19.9
143.08549	7.2
145.10207	8.4
147.11716	12.2
147.84180	6.6
149.13339	7.3
161.13266	12.3
163.11237	8.3
171.11722	10.1
179.14293	44.6
207.13866	12.7
277.21640	40.4
281.17441	34.8
308.53189	5.6
351.25250	23.0
386.68961	6.6
553.41370	6.9
557.38391	100.0
558.38330	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	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
65.14516	0.3
70.72681	0.5
71.53941	0.3
102.51087	0.4
156.00333	0.4
166.89482	0.4
173.85716	0.4
175.78683	0.4
200.81326	0.4
310.13260	0.4
359.42786	0.4
387.16205	0.6
388.16934	0.6
389.17609	1.8
391.19110	0.5
401.17987	0.7
402.18317	1.4
403.19119	4.2
404.19913	1.6
405.20667	2.9
415.19577	0.5
416.19977	1.6
417.16769	1.2
417.21292	4.8
418.22156	2.1
419.17239	0.4
419.22424	5.4
420.23044	0.7
430.17935	1.5
431.18143	12.1
431.23743	0.8
432.18768	4.1
433.24338	8.2
434.24478	1.6
444.19208	0.7
445.19986	16.0
446.20694	6.9
447.21793	6.8
448.22675	0.5
449.23618	0.6
459.21393	4.0
460.22568	13.0
461.23254	10.6
462.24231	1.0
463.21039	0.6
473.23743	3.3
474.24127	0.7
476.26001	0.5
477.23019	1.3
478.23450	0.4
487.24811	1.1
489.26538	0.7
491.24728	1.0
492.25125	1.2
505.22025	6.0
519.23901	1.1
533.25513	27.5
534.25781	2.7
561.24493	0.7
564.23999	1.0
565.28589	0.7
593.27545	100.0
594.27814	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	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
67.05499	0.5
67.74369	0.3
69.07772	1.3
81.07059	0.4
89.86647	0.2
90.89849	0.3
110.94422	0.3
126.51176	0.3
157.15312	0.3
229.14375	0.4
237.13972	0.3
313.27310	0.7
314.27750	0.5
388.17203	0.3
389.17654	0.8
390.18805	0.3
401.17783	0.4
402.18469	0.4
403.19412	2.4
404.19873	1.0
405.20901	1.5
415.19379	0.3
416.20071	0.8
417.21375	3.2
418.21689	1.1
419.22284	3.2
430.17603	0.6
431.18219	6.4
431.23679	0.4
432.19385	1.7
433.24124	6.1
434.24573	1.1
444.23972	0.3
445.19955	8.4
446.20746	3.9
447.21637	4.0
457.19919	0.4
459.21753	2.7
460.22592	8.2
461.23254	9.1
462.23907	0.5
473.23657	2.1
474.23975	0.8
476.26276	0.6
477.26709	0.5
478.23251	0.3
487.24808	0.8
489.26749	0.6
491.24951	0.5
492.25073	0.7
493.25452	0.3
505.22031	3.2
515.24445	0.3
518.23346	0.5
519.23218	0.7
533.25488	32.5
534.25946	2.9
547.26294	0.3
565.27606	0.6
575.26202	0.4
593.27563	100.0
594.27826	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	594.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.3
55.05512	15.6
57.03429	7.6
64.32364	1.7
67.05507	21.5
69.03413	5.6
69.07059	4.7
69.93555	3.7
69.93894	2.2
71.04988	3.4
71.42935	1.7
76.19482	1.7
79.05497	21.6
80.42586	1.8
81.02962	3.2
81.03419	56.9
81.07053	24.0
82.75944	1.7
83.04986	5.0
83.08640	15.8
91.05477	18.1
93.07054	13.2
95.04961	23.7
95.08601	11.5
97.06499	3.6
97.10168	16.9
105.07019	13.1
107.04964	13.8
107.08572	10.6
109.06512	9.9
109.10134	5.6
111.08051	5.0
117.07024	3.6
119.08567	10.1
121.06516	10.6
121.10154	9.4
123.08073	5.0
125.09602	11.1
129.07018	6.8
131.08553	9.4
133.06508	4.6
133.10144	4.3
135.08063	3.0
135.11679	3.0
137.09642	1.7
143.08609	2.3
145.06474	7.2
145.10100	4.6
147.08040	5.4
147.11649	5.6
149.09605	4.3
153.09099	3.3
155.08519	2.6
157.10135	7.5
159.66173	1.8
161.09616	2.1
163.11157	4.2
165.12852	2.1
167.08519	2.1
167.10822	1.7
169.10184	2.2
175.11208	5.1
188.56261	1.7
189.11221	6.4
191.14317	2.6
193.12233	14.4
199.11197	3.4
215.14276	3.3
215.78929	2.1
219.13802	3.4
227.12732	2.5
233.15392	4.8
237.12717	2.7
267.15884	37.3
273.14807	7.4
293.17618	2.4
312.43820	1.8
339.23114	2.3
349.21701	3.7
367.22723	17.9
385.23734	26.3
386.24304	2.0
403.24765	12.0
420.76776	2.1
423.25174	2.7
441.26181	8.6
459.27402	100.0
460.27502	5.1
477.28525	82.7
478.28589	2.4
491.29965	7.8
509.31107	6.0
541.32861	2.2
578.01508	2.0
594.44769	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	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01878	0.3
55.05515	1.6
57.03450	1.6
61.02925	0.9
66.42627	0.4
69.03444	2.3
70.41946	0.6
71.04633	0.5
71.05003	8.8
73.02924	0.4
75.04477	0.4
79.05495	0.4
81.03424	0.6
81.07054	0.9
83.04982	0.6
85.02915	16.9
85.06570	0.3
87.04509	0.4
91.05482	0.4
92.11555	0.3
93.07075	0.4
95.04972	0.7
95.08595	0.6
97.02902	2.1
97.06523	0.4
104.55864	0.3
105.07024	0.8
107.08617	0.5
109.02924	0.5
109.10116	0.5
111.00801	0.6
119.08601	0.9
121.02874	2.1
125.06059	0.5
127.03925	1.4
129.05501	2.9
133.02769	0.4
133.10107	0.9
135.08089	0.4
137.09624	0.4
145.04984	0.9
145.10121	0.3
147.06535	0.9
147.08064	0.3
149.09608	1.1
153.01846	3.0
154.02237	0.4
157.10118	0.5
158.07120	0.3
159.11633	0.6
161.09668	1.2
162.10260	0.6
163.06133	0.4
165.01813	1.1
170.40666	0.3
172.08191	0.4
179.10719	1.7
183.02870	0.8
213.05457	0.7
215.62886	0.3
217.15877	4.7
218.16264	2.0
235.16913	4.0
236.17285	1.4
241.05078	0.6
258.05209	0.9
259.05951	0.4
287.05527	100.0
288.05893	2.4
357.43195	0.4
397.22293	4.0
398.22525	3.0
411.89941	0.4
449.10754	0.9
451.92963	0.4
491.22733	0.4
491.29468	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03947	0.3
55.01876	0.3
57.03441	1.6
61.02928	0.4
62.14215	0.1
66.54945	0.2
68.99799	0.4
69.03422	0.8
69.20206	0.6
69.20609	0.3
71.04993	9.1
71.37914	0.1
73.02898	0.4
75.04462	0.4
81.03418	0.4
83.04972	0.4
85.02904	12.3
87.04472	0.4
97.02911	1.2
98.22684	0.3
99.04464	0.2
105.03348	0.2
107.04935	0.2
109.02881	0.6
111.00798	0.6
111.04463	0.3
121.02878	1.5
127.03883	0.9
129.05478	3.2
133.02864	0.5
137.02347	0.6
145.04967	0.9
147.04387	0.4
147.06517	0.7
153.01822	2.8
157.06490	0.2
165.01823	1.4
165.13792	0.2
183.02913	0.5
213.05392	0.9
231.06464	0.4
241.04959	0.7
243.06285	0.2
258.05249	0.8
259.05902	0.2
269.04355	0.3
287.05484	100.0
288.05771	2.6
329.06488	0.2
344.75635	0.2
449.10657	0.6
551.38342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1664
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.05502	3.0
57.03444	10.8
59.05005	1.5
69.03436	8.3
69.68569	2.4
69.68919	1.8
71.05000	61.9
73.02928	10.4
73.26558	0.9
75.04501	2.5
81.03404	1.3
83.04982	11.3
85.02914	72.4
87.04483	1.9
95.04990	3.1
98.22742	1.7
98.23286	1.8
99.04470	4.4
101.06027	1.3
111.04467	8.8
117.05505	7.3
121.02896	2.3
127.03925	2.7
129.05486	21.7
137.02347	7.3
142.64709	1.2
147.06528	6.4
153.01855	3.6
153.05467	2.6
159.06505	1.1
163.05997	8.4
165.01852	1.7
171.06541	2.2
201.07533	1.3
229.04961	3.2
239.09222	3.7
248.37303	1.0
257.04492	3.4
263.73517	1.1
274.59476	1.1
275.11331	1.4
285.03665	1.1
287.05521	3.1
299.05505	1.3
302.04214	2.3
303.05023	100.0
304.05350	1.9
315.04959	8.4
316.05701	1.8
327.04974	1.4
341.06799	1.7
345.06107	17.1
345.13824	1.0
346.06583	1.2
367.07654	1.6
369.05942	5.4
395.07602	4.5
413.08627	10.4
431.09875	7.0
449.10901	19.9
450.11978	1.2
583.38055	1.1
595.16797	1.3
611.46533	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	595.1669
Annotation	Kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03943	0.4
54.08699	0.2
55.05512	0.3
56.29373	0.3
57.03442	2.6
64.20748	0.3
67.58268	0.3
68.99822	0.3
69.03445	0.3
69.33786	0.3
71.04999	17.8
71.44328	0.3
73.02931	0.7
75.04477	0.5
81.03433	0.4
83.04979	0.8
85.02913	19.8
87.04479	0.5
93.74812	0.3
97.02850	0.4
103.03993	0.3
111.00813	0.6
121.02876	1.9
123.04514	0.3
127.03932	0.4
129.05484	4.5
135.04433	0.4
137.02341	0.7
143.03471	0.4
144.03731	0.3
147.04370	0.5
147.06519	0.9
153.01837	9.6
153.02914	0.5
154.02180	2.7
157.06531	0.4
159.53230	0.3
165.01843	1.1
171.02921	0.4
183.02899	0.8
185.05920	0.3
213.05496	0.8
218.05486	0.2
231.06483	0.5
241.04988	0.6
258.05276	0.9
259.06158	0.4
259.90259	0.3
262.20166	0.3
287.05515	100.0
288.05914	2.1
299.05646	0.4
343.04144	0.3
351.09915	0.3
397.09341	0.4
449.10809	15.0
450.11353	0.4
620.19556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
54.08699	0.2
55.05512	0.3
56.29373	0.3
57.03442	2.6
64.20748	0.3
67.58268	0.3
68.99822	0.3
69.03445	0.3
69.33786	0.3
71.04999	17.8
71.44328	0.3
73.02931	0.7
75.04477	0.5
81.03433	0.4
83.04979	0.8
85.02913	19.8
87.04479	0.5
93.74812	0.3
97.02850	0.4
103.03993	0.3
111.00813	0.6
121.02876	1.9
123.04514	0.3
127.03932	0.4
129.05484	4.5
135.04433	0.4
137.02341	0.7
143.03471	0.4
144.03731	0.3
147.04370	0.5
147.06519	0.9
153.01837	9.6
153.02914	0.5
154.02180	2.7
157.06531	0.4
159.53230	0.3
165.01843	1.1
171.02921	0.4
183.02899	0.8
185.05920	0.3
213.05496	0.8
218.05486	0.2
231.06483	0.5
241.04988	0.6
258.05276	0.9
259.06158	0.4
259.90259	0.3
262.20166	0.3
287.05515	100.0
288.05914	2.1
299.05646	0.4
343.04144	0.3
351.09915	0.3
397.09341	0.4
449.10809	15.0
450.11353	0.4
620.19556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.87660	1.5
55.05519	8.4
57.03443	9.1
61.02930	3.0
62.31843	1.4
69.03436	12.8
71.04997	35.9
73.02916	4.1
75.04489	5.8
75.06108	1.5
80.85416	1.4
81.03426	6.1
83.04472	2.1
83.04986	80.9
85.02909	100.0
87.04504	1.9
91.05480	9.6
97.02895	20.8
98.22950	1.6
99.04457	5.1
105.07061	2.0
109.02874	4.8
111.04449	40.0
127.03926	20.7
129.05486	52.2
145.02791	1.4
145.04974	13.6
147.06529	22.3
149.06067	2.6
153.01851	17.9
154.02206	2.8
155.02438	1.9
163.06041	5.4
163.07402	2.3
175.07512	2.3
177.05431	1.7
200.03960	1.5
225.14937	3.3
237.07561	10.5
255.08649	9.8
273.09723	12.5
277.02261	1.7
287.05377	1.8
288.05978	3.7
295.06003	2.9
296.06412	2.3
308.06552	3.4
309.11725	11.0
322.07932	2.2
326.07465	2.8
338.07181	2.3
380.08292	2.2
392.08527	1.9
404.08713	1.9
440.10504	2.5
453.01038	2.6
458.11325	3.7
520.53430	1.7
542.13660	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	596.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
53.12703	2.3
55.01867	5.1
55.05512	23.4
55.29648	2.4
57.03445	15.8
57.07064	3.2
62.05215	2.2
65.03948	4.9
67.05507	82.3
69.03442	4.5
69.07072	33.3
69.08337	14.8
71.04998	7.3
79.05499	49.1
81.03416	4.2
81.07060	100.0
83.04982	10.5
83.08626	17.1
85.06555	3.4
91.05483	45.8
93.07048	77.3
94.47440	2.5
95.04970	15.2
95.08617	35.6
97.06541	21.2
97.10146	2.7
99.08105	5.2
104.67516	2.5
105.04526	4.1
105.07040	30.5
107.04953	7.0
107.08598	45.9
109.06523	5.1
109.10165	8.7
111.08057	8.4
113.06047	3.0
117.07008	12.8
119.08595	20.1
121.06490	3.0
121.10146	22.4
123.11698	2.9
125.09674	4.0
129.07043	4.1
131.08588	18.7
133.10103	22.4
133.10847	2.1
135.08080	4.6
135.11716	18.1
137.09596	4.1
145.10106	10.6
147.11700	11.1
149.09615	12.5
149.13268	35.1
151.11133	2.7
155.08401	2.5
157.10066	4.1
159.11720	20.7
161.13197	4.0
163.11156	8.2
171.11732	4.6
173.13301	3.8
177.12769	9.5
179.14308	4.5
195.13759	17.6
227.12747	6.8
239.17914	2.7
247.20552	2.8
255.15863	7.4
257.19110	9.3
265.00757	2.8
267.15771	3.5
269.17471	72.0
275.20157	28.9
283.01767	4.2
285.16782	3.2
293.21185	4.1
349.23709	21.2
367.24548	2.8
375.23386	2.4
416.22513	5.3
447.30960	2.6
449.29025	25.9
463.30533	86.3
464.30978	4.5
543.36798	22.6
561.37659	6.3
596.29095	13.8
596.37463	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	596.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01876	6.2
55.05516	27.3
57.03447	16.6
57.07067	3.6
65.03927	3.0
67.05160	4.9
67.05509	84.9
69.03423	5.4
69.07077	31.2
71.04984	7.9
71.08605	3.7
79.05501	60.4
80.48302	2.5
81.03426	11.8
81.07061	100.0
83.04979	10.5
83.08625	19.0
85.06537	6.7
91.05482	45.5
93.07053	77.8
95.04996	17.6
95.08614	31.5
97.06538	14.6
97.10180	7.9
98.22699	6.7
99.08089	4.4
105.04510	4.0
105.07050	31.6
107.04941	7.2
107.08603	43.9
109.06509	5.0
109.10133	10.7
111.08076	7.5
117.07059	13.0
119.08580	16.1
121.06491	5.3
121.10146	25.2
123.08040	3.0
123.11650	4.4
125.09654	3.1
129.06967	3.8
131.08591	18.3
133.10153	25.1
135.08102	3.7
135.11714	20.2
135.65685	2.3
137.09592	3.2
143.08504	2.8
145.10124	10.7
147.11674	9.1
149.09618	8.3
149.13268	33.4
151.11229	5.5
157.10161	5.0
159.11696	17.9
161.13246	3.3
162.64012	2.3
163.11169	10.5
171.11682	4.9
173.13248	4.9
177.12743	6.0
181.12192	3.1
193.12154	3.0
195.13768	13.7
211.13300	4.8
227.12704	5.3
253.14497	3.4
255.16039	6.1
257.18967	7.9
269.17462	75.8
275.19995	23.0
281.73868	2.7
285.16873	7.5
349.23734	11.6
351.25134	4.4
355.23975	3.3
367.24887	3.1
409.88538	2.7
449.29025	26.7
463.30548	80.1
487.02866	2.6
503.11115	2.8
540.96167	2.7
543.36920	17.6
561.37799	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84553	1.2
53.03938	2.4
55.01881	1.1
55.05512	11.0
57.03437	6.2
57.07074	2.2
65.03922	2.0
67.05504	62.1
67.36399	1.1
69.07065	10.4
71.04988	18.0
74.30418	1.2
74.90092	1.1
76.68979	1.1
79.05038	2.0
79.05489	30.2
81.07056	79.4
82.07430	1.5
83.04963	3.0
83.08612	6.3
85.06525	6.3
88.25604	1.4
91.04944	1.8
91.05479	24.8
93.07043	30.5
95.04964	4.0
95.08608	21.8
97.06519	3.7
97.10184	2.5
98.23532	2.7
105.04485	2.4
105.07015	16.8
105.07644	1.6
107.08591	16.9
109.06523	2.5
109.10126	9.2
117.07008	5.4
119.08598	7.8
121.10149	9.2
123.11707	9.9
131.08585	8.5
133.10127	12.8
135.11688	6.3
143.08574	2.1
145.10143	3.7
147.11711	1.4
149.13246	3.9
150.87744	1.3
151.11201	3.6
157.10175	1.6
159.11684	5.1
161.13234	2.6
171.11665	1.4
173.13248	2.0
175.14806	1.4
183.13873	2.4
187.13283	3.0
187.14882	2.3
195.13852	2.7
201.16441	1.5
227.16356	1.9
236.31223	1.2
257.17438	2.9
261.22034	1.8
269.17569	4.7
301.20114	22.1
317.24844	1.9
335.25778	27.9
485.36365	2.0
503.37302	100.0
504.37689	3.9
517.38898	2.9
529.38812	8.3
561.41425	45.0
596.47223	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	596.9794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41558	0.3
60.01943	0.3
70.28965	0.9
72.67756	0.3
94.93034	0.9
103.96889	0.3
120.30537	0.3
132.62796	0.4
136.94025	1.6
162.95589	0.8
202.89096	0.7
237.27869	0.3
268.98257	100.0
269.98639	1.9
306.93811	2.9
366.95895	1.2
404.89743	0.4
413.14978	0.4
420.08102	0.4
493.08472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1452
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.03931	0.4
55.01874	0.3
57.03439	2.4
59.09649	0.3
61.02918	1.0
65.03957	0.3
66.34920	0.3
68.58265	0.3
68.99790	0.3
69.03428	2.7
69.74742	0.5
69.75134	0.5
71.01355	0.3
73.02921	3.7
81.03424	1.0
85.02909	4.9
97.02889	3.4
99.04447	0.4
100.66809	0.3
109.02889	1.0
111.00792	0.8
115.03944	1.0
121.02850	0.8
127.03924	1.7
133.04982	0.4
137.02345	2.4
145.05008	1.4
145.05991	0.3
147.04385	0.4
149.02269	0.4
153.01819	5.6
153.03036	0.4
163.03944	0.6
165.01865	1.5
171.02924	0.2
173.05890	0.3
177.05518	0.3
183.02849	0.7
195.02844	0.4
201.05470	1.2
213.71260	0.3
229.04958	3.5
241.07083	0.4
241.32541	0.3
247.05923	0.7
257.04422	2.7
266.52625	0.2
274.04871	0.5
285.03979	0.9
303.04980	100.0
304.05341	2.7
315.04797	0.3
333.09589	0.2
345.06104	0.3
389.20575	0.3
427.02682	0.4
453.01483	0.3
465.10138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1822
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.57975	3.1
55.01888	6.4
57.03450	4.3
57.45764	2.7
81.03445	6.5
83.01348	4.5
85.02913	17.7
91.05492	4.3
93.03439	13.1
95.04968	7.1
97.02937	10.2
98.23219	3.9
103.03966	4.7
103.28370	3.0
103.29205	3.0
105.07056	4.3
107.04948	18.9
109.02879	12.6
111.04457	6.3
119.04955	9.9
121.02871	21.3
121.06538	6.0
123.04453	8.7
127.03964	3.5
131.04962	3.9
133.06477	5.0
135.04424	22.0
137.06012	3.2
142.57835	3.1
145.06549	4.5
147.04436	19.3
149.06024	3.1
150.45636	3.1
151.03954	4.3
153.01845	15.5
159.04442	4.4
161.06029	7.3
161.76166	3.9
163.03935	25.1
164.04292	5.4
165.01884	6.4
173.02377	4.6
173.06039	10.4
175.00386	3.6
175.03880	3.3
177.01907	12.5
177.05515	10.5
183.02951	4.1
187.03911	10.7
189.01888	22.2
189.05432	7.0
191.03438	13.4
194.02444	3.5
195.02881	30.0
199.03963	3.4
201.02031	4.5
201.05527	9.6
203.03403	9.8
205.01367	8.5
205.05029	5.7
207.02899	46.0
215.03456	9.8
219.02899	82.6
221.00815	5.5
221.04326	3.8
223.02374	14.8
225.03937	19.6
227.03416	7.2
229.05020	18.6
231.02901	46.2
233.04491	19.3
237.03844	23.0
241.01392	3.1
243.02921	27.2
243.06519	5.3
245.04593	6.3
247.02423	4.6
249.04039	16.1
255.02905	9.7
257.04422	18.8
259.02362	4.3
261.03973	100.0
271.05939	6.3
273.03903	41.5
275.05490	6.0
285.03955	46.4
291.05063	28.1
297.03992	20.6
297.07596	14.9
299.05508	9.8
303.05014	82.8
309.03833	9.0
309.07578	11.0
311.05603	3.9
315.04968	10.2
321.05988	26.2
327.05014	43.3
327.08694	29.3
339.07889	38.9
345.06128	9.7
351.08676	14.0
357.05817	5.7
357.09866	7.1
363.07190	26.3
369.06018	5.9
375.07208	7.9
381.09702	27.9
387.07172	7.8
390.91415	3.5
393.09607	30.2
405.08414	35.5
411.10806	9.7
417.09708	5.3
423.10022	23.6
427.02667	3.7
429.11810	40.8
441.10849	27.8
447.10751	24.3
453.00754	4.6
459.12820	33.6
465.11389	13.7
471.02634	3.4
477.11929	5.8
483.12964	19.9
495.12778	14.2
507.12662	9.2
525.13800	13.0
525.31946	3.5
543.14911	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	597.3764
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
53.03953	0.7
55.05515	2.8
57.03437	0.9
67.05505	4.1
69.07063	1.6
69.28381	2.3
69.28789	1.5
79.05512	4.5
81.03427	0.7
81.07058	4.9
83.04999	1.5
83.08631	1.7
91.05476	4.5
93.07044	5.0
95.04992	2.3
95.08627	2.7
96.37816	0.7
97.06546	1.3
98.23395	1.6
105.07030	3.9
107.04949	0.7
107.08610	3.9
109.10178	1.5
119.08549	3.0
119.63005	0.7
121.10184	1.8
125.09689	1.0
129.07048	1.1
131.08588	1.4
133.10149	1.1
135.11678	0.9
139.11240	0.9
145.10144	1.6
147.11746	1.1
157.10213	0.9
159.11708	1.0
161.13403	0.8
169.10092	0.9
195.11627	0.9
197.13332	0.6
207.70540	0.7
221.15375	0.7
242.43471	0.7
247.13034	4.1
299.19989	0.9
303.15714	2.9
317.20688	3.0
335.26010	0.9
373.23535	3.0
429.28128	1.0
527.29858	0.7
597.37701	100.0
598.38013	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	598.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76752	2.0
55.05509	7.5
57.03429	4.4
65.03938	2.2
67.05508	44.8
69.07063	10.9
71.04990	11.3
71.09574	3.4
79.05505	7.7
81.07061	52.5
83.08631	6.2
85.06534	4.2
89.69476	2.3
91.05489	9.5
93.07080	10.8
95.08607	21.4
97.06549	3.3
97.10168	2.7
101.56462	1.9
105.07064	5.8
107.08602	7.8
109.10159	9.0
119.08591	2.5
121.10147	4.5
123.11707	6.2
133.10141	9.7
135.11685	4.3
149.13182	3.5
151.11166	2.7
165.25351	2.1
187.13292	4.5
195.13853	3.3
264.38184	2.1
269.17499	3.3
301.20139	19.8
308.87650	2.0
317.56750	2.4
337.27313	25.7
406.20251	2.6
505.38882	100.0
506.39340	4.5
519.40442	5.4
531.40375	5.7
541.78333	2.3
563.43085	46.6
587.42065	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	599.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
55.80339	0.5
55.94198	0.6
59.32327	0.6
67.05508	2.4
69.07076	0.6
69.26807	0.6
70.05568	1.7
70.26731	0.6
71.04986	1.1
77.00298	0.7
79.05504	1.1
81.03425	1.5
81.07066	2.4
85.02887	0.7
91.05475	1.7
93.07056	1.5
95.08617	1.6
98.22817	0.8
105.07018	1.2
107.08610	1.1
108.40261	0.5
119.08598	1.1
121.10169	1.1
122.70290	0.7
129.07007	0.9
131.08630	1.0
142.07813	0.6
149.09711	1.1
193.12216	0.8
225.14796	0.5
233.11429	0.7
249.65474	0.6
252.27489	0.6
283.15152	15.2
283.18250	0.9
339.17783	8.2
501.28052	4.2
599.34027	100.0
600.34351	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	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.3
55.01877	7.2
55.05510	60.3
57.07077	8.1
59.04990	3.5
65.03951	5.7
67.05497	40.9
69.03436	24.1
69.06729	4.7
69.07064	27.5
71.04999	10.2
79.05489	42.9
81.03403	3.9
81.07055	48.4
83.04980	38.7
83.08617	68.2
85.06539	8.4
87.04456	8.5
91.05484	65.1
93.07050	79.0
95.04974	40.5
95.08609	64.1
97.06537	64.5
103.05459	4.4
105.04523	6.9
105.07028	100.0
107.04961	5.0
107.08598	96.5
109.06520	16.2
109.10169	27.3
111.08094	12.2
113.09638	26.4
115.05457	4.5
117.07017	21.4
119.08587	84.8
121.06496	16.0
121.10146	81.2
123.08071	26.9
123.11713	10.7
125.09638	44.3
125.16793	3.6
128.06245	13.5
129.07045	21.0
130.07829	6.6
131.08575	43.7
133.06546	6.1
133.10130	52.5
135.08054	18.4
135.11694	16.2
137.09689	5.1
139.11150	31.1
141.07027	9.2
142.07785	28.2
143.08556	47.9
144.09349	9.6
145.10123	65.9
147.08075	8.9
147.11688	16.9
149.09624	19.2
149.13266	4.6
151.11176	4.3
153.12762	10.0
154.07811	4.1
155.08585	23.1
155.10703	34.1
156.09355	24.0
157.10121	71.2
158.10886	7.1
159.08073	19.5
159.11691	28.3
161.09613	16.7
161.13225	3.7
163.11214	11.1
165.06985	6.9
165.09219	4.6
166.07811	6.4
167.08516	10.5
167.10674	95.5
168.09325	10.8
169.10095	35.4
169.82697	4.7
170.10909	10.1
171.08069	5.0
171.11719	33.4
173.09648	7.7
173.13268	20.1
175.11188	7.9
175.14833	8.3
179.08600	19.4
179.14236	8.6
180.09366	10.9
181.10114	8.8
181.12251	49.5
182.10934	14.2
183.11702	37.2
185.09648	5.8
185.13292	21.4
186.10440	4.1
187.11162	7.7
187.14931	6.2
189.12735	9.6
191.14340	7.6
192.09381	6.0
193.10133	20.8
194.10927	16.1
195.11716	32.7
195.13823	11.8
196.12473	10.1
197.13272	35.8
199.11201	7.1
199.14888	16.3
201.12712	6.3
203.14308	6.3
205.10091	5.1
206.10931	5.7
207.11790	17.1
207.13654	4.5
208.12573	5.1
209.13313	55.5
209.15269	7.3
210.13930	4.2
211.11192	4.7
211.14761	19.3
213.12733	4.6
215.14305	9.0
217.15936	9.8
219.11702	7.3
220.12462	5.3
221.13261	20.2
221.15404	27.2
222.13953	5.7
223.14783	21.0
224.12015	3.8
225.16393	10.0
227.14354	7.5
231.17482	3.9
233.13158	9.3
233.15367	53.4
235.14824	17.1
235.16913	7.8
236.15607	4.8
237.16386	7.8
241.15906	7.9
243.12007	3.9
245.13171	8.6
245.15576	5.2
247.14830	8.8
247.17064	10.2
249.16400	21.0
249.74814	4.0
251.18114	4.2
253.15906	3.9
255.17416	4.7
257.13248	6.3
257.19067	4.4
259.14783	8.7
260.17844	4.6
261.16364	11.7
263.17892	7.2
265.15805	4.3
269.19107	8.8
272.80908	4.0
273.18716	5.5
275.17764	4.8
275.76663	3.8
277.19528	5.5
279.21014	4.6
281.19067	4.2
283.20642	8.6
285.18466	16.2
289.19751	6.2
295.20563	4.2
299.20245	23.3
307.20602	5.3
309.18405	4.4
311.20132	10.9
314.20328	4.7
321.22513	4.6
351.22919	4.1
363.22943	5.1
364.23920	4.7
373.25046	6.4
377.24731	11.0
383.25858	7.3
386.59052	3.6
413.28131	8.5
417.28113	4.1
431.29498	11.1
464.30957	8.7
581.40100	23.3
599.41241	83.8
600.40747	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35844	1.3
55.05505	7.0
57.03440	1.6
57.07064	5.1
59.05013	2.2
64.78983	1.3
65.03941	2.3
65.62307	1.5
67.05502	16.4
69.03422	9.8
69.07059	6.8
69.13351	3.0
69.13770	7.2
79.05489	12.7
81.03411	1.5
81.07055	18.0
81.22904	1.2
83.04978	9.8
83.08618	5.1
83.26946	1.4
85.06544	6.1
91.05474	20.1
93.07038	24.5
95.04963	11.6
95.08102	1.4
95.08607	15.0
96.82254	1.3
97.06535	3.8
105.07021	35.3
107.08595	24.1
109.06514	9.7
109.10139	9.9
111.08109	1.4
111.39581	1.4
115.05434	4.0
117.06982	7.3
119.08572	33.6
121.06485	8.0
121.10142	29.8
123.08061	11.8
123.11724	3.9
125.09618	3.8
128.06215	5.4
129.07027	8.5
130.07785	3.9
131.08559	17.6
133.06483	3.1
133.10130	16.6
135.08044	11.8
135.11705	6.9
137.09612	7.8
139.07510	2.0
139.11153	1.9
141.07013	3.8
142.07785	10.5
143.08542	22.0
144.09340	5.7
145.10127	21.3
147.08051	13.7
147.11678	6.5
149.09650	11.2
151.07549	11.1
154.07770	1.8
154.09778	1.8
155.08580	7.3
156.09360	11.0
157.10123	26.0
158.10869	3.0
159.08095	8.7
159.11703	16.2
161.09668	7.9
161.13284	2.0
163.11166	5.6
165.06987	2.6
165.09113	18.1
167.08545	4.1
167.10678	14.5
168.09367	3.6
169.10130	14.4
170.10852	4.2
171.08173	1.8
171.11659	12.8
173.09656	4.6
173.13246	8.3
175.11208	7.2
175.14835	2.5
177.09100	3.6
177.12737	3.6
179.08534	4.2
180.09315	2.0
181.10164	6.5
181.12306	3.6
182.10901	2.9
183.11690	14.0
185.09592	2.0
185.13251	6.8
187.11192	4.4
187.14786	3.8
189.12698	6.4
191.10498	1.6
191.14301	3.8
192.09416	2.2
193.10139	5.7
194.10988	2.9
195.07893	1.7
195.11670	9.3
196.12440	3.5
197.09641	1.7
197.13286	8.0
199.11156	3.4
199.14850	3.2
201.12842	2.7
203.14320	8.1
205.10191	1.5
205.12419	1.3
206.10963	2.5
207.11673	8.0
207.13829	7.7
208.12460	2.9
209.13248	8.4
209.15277	3.0
211.11235	2.2
211.14880	3.8
213.12701	3.0
215.14233	3.0
217.15904	2.4
219.11693	3.6
220.12498	2.3
221.13271	6.4
221.15311	36.0
222.13911	1.6
223.11154	1.8
223.14851	5.6
225.12814	2.9
225.16391	3.0
227.14305	1.8
231.13805	1.4
233.13287	2.9
233.15343	25.9
235.14833	3.9
236.15482	1.6
237.12695	2.4
237.14622	1.9
237.16646	2.0
239.14229	2.1
241.15775	1.9
243.11600	1.7
243.13927	1.8
245.13118	3.8
246.13876	1.7
247.14862	3.1
247.17059	2.9
249.16422	2.8
251.17970	2.0
255.17329	1.7
257.15344	1.8
259.17084	2.0
261.16306	1.9
263.18042	1.6
265.15924	2.7
271.14655	2.4
281.18906	7.3
286.19318	2.7
287.20062	3.0
289.15964	1.4
289.19449	1.6
291.17496	1.6
299.20087	4.2
311.19928	2.0
331.20572	1.8
349.21585	1.8
351.23541	2.2
364.23740	2.6
365.24695	2.5
373.25385	2.3
377.24368	2.4
391.26157	3.8
405.09592	1.4
441.29971	3.0
489.33380	3.7
493.33218	2.1
495.28964	4.3
507.34689	68.8
508.34827	3.2
563.38794	1.6
581.39789	6.3
599.31622	25.3
599.40723	100.0
599.50043	4.1
600.32062	2.2
600.41254	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	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08868	3.4
51.60487	3.1
53.03954	6.1
55.01866	10.4
55.05512	53.5
57.07080	7.3
59.05007	5.7
59.72610	3.1
65.03933	5.3
66.33881	3.1
67.05511	42.9
67.55417	4.2
69.03436	24.5
69.07070	27.8
69.42606	14.3
71.04977	13.1
74.14520	3.0
79.05489	40.0
81.03426	3.6
81.07053	55.4
83.04982	32.7
83.08620	49.5
85.06528	8.3
87.04470	7.4
89.04084	2.9
91.05479	50.6
93.07044	75.9
95.04965	49.5
95.08604	58.7
97.06526	70.4
97.10160	4.3
99.04462	3.9
102.23404	3.8
105.04487	5.4
105.07026	83.3
105.07731	4.7
107.07841	4.6
107.08590	96.5
109.06529	23.0
109.10152	38.2
111.08066	15.1
111.11713	4.6
113.09662	28.9
115.05450	6.6
116.06201	4.6
117.07000	20.9
119.08575	82.5
121.06496	16.1
121.10134	86.6
123.08080	25.6
123.11713	8.1
125.09618	35.4
127.11224	4.1
128.06215	12.0
129.06978	18.1
130.07762	5.9
131.08571	40.2
133.06543	4.6
133.10136	45.2
135.08055	22.2
135.11681	14.9
137.09599	8.0
139.11179	40.4
141.06998	8.1
142.07785	24.6
143.08572	47.5
144.09380	9.6
145.06477	8.3
145.10129	67.0
147.08046	10.5
147.11667	16.5
149.09651	30.2
149.13213	7.2
151.09834	3.0
151.11099	5.5
153.12756	12.6
154.07750	6.7
155.08606	20.4
155.10635	35.6
156.09340	20.2
157.10141	67.9
158.10913	6.1
159.08110	15.9
159.11690	34.4
161.09616	22.0
161.13240	12.8
163.11165	10.5
165.07016	6.9
166.07794	3.4
167.08517	8.7
167.10670	100.0
167.14348	3.9
168.09363	5.6
168.11005	3.2
168.37926	3.1
169.10143	40.5
170.10924	7.2
171.11671	35.9
173.09647	9.0
173.13268	19.5
175.11183	14.9
175.14827	11.0
177.12802	7.5
178.07832	4.1
179.08551	14.0
179.14336	10.5
180.09264	4.8
181.10127	20.8
181.12230	46.2
182.10941	10.8
183.11703	30.7
184.12502	3.3
185.09593	9.5
185.13268	19.9
187.11172	8.5
187.14764	10.0
189.12737	7.2
191.14262	6.5
192.09395	4.7
193.10181	18.3
193.15768	3.7
194.10942	11.1
195.11697	33.5
195.13780	11.3
195.20004	3.4
196.12486	10.6
197.09685	3.3
197.13298	36.1
199.11211	7.1
199.14774	13.2
201.12718	7.7
201.16449	3.9
203.14447	5.4
205.10022	4.1
205.15976	5.3
206.10860	6.9
207.11700	21.0
207.13541	5.2
208.12502	9.5
209.13313	53.0
209.15338	8.8
211.14819	19.2
213.12869	3.7
213.16214	5.5
215.14386	8.7
217.15874	10.0
219.11682	10.4
220.12331	3.9
221.13214	26.1
221.15379	31.9
222.13774	4.5
223.11421	4.0
223.14871	20.6
225.12889	4.3
225.16367	12.4
227.14421	5.1
231.11705	7.1
233.13197	11.9
233.15295	64.1
235.14780	13.4
237.12753	5.2
237.16342	10.3
241.15849	4.5
245.13210	4.3
245.15424	7.2
246.13945	5.7
246.16165	4.1
247.14732	10.0
247.16998	12.8
249.16475	12.6
251.14301	4.7
251.17924	5.4
253.15782	5.4
255.17508	6.8
257.19043	4.2
259.14688	5.7
259.17114	6.3
261.16281	8.2
261.35510	3.2
263.18100	6.4
269.19177	8.4
271.14612	5.0
273.18689	6.5
275.13986	3.7
275.17697	7.8
281.18948	7.7
283.20596	8.2
285.18668	18.1
286.19455	3.8
287.20224	4.3
289.19540	6.8
297.18405	5.1
299.20242	25.6
301.21777	5.6
307.20685	3.9
311.20059	11.5
315.21036	4.6
344.52509	3.5
351.23151	6.4
364.23911	8.3
365.24646	12.4
377.24814	14.1
383.25732	12.1
413.28329	5.7
431.29266	10.4
493.32898	4.4
541.36182	4.3
581.39648	13.4
599.41095	83.7
599.50409	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	599.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.7
55.05519	65.6
57.07076	9.5
58.63749	3.9
61.67233	3.0
65.03946	6.2
67.05512	60.8
69.03434	28.5
69.07071	27.7
69.20593	3.7
71.05003	7.6
75.88594	3.7
77.03922	5.9
79.05507	47.3
81.03422	4.7
81.07064	56.8
83.04992	37.0
83.08629	64.5
85.06557	8.8
87.04493	7.9
91.05483	53.4
93.07050	86.0
93.07607	6.5
95.04986	37.6
95.08614	69.9
97.06541	56.7
98.23483	9.8
103.05474	8.8
105.04553	4.2
105.07036	100.0
107.08602	94.6
107.09326	4.2
109.06516	21.8
109.10168	35.8
111.08099	15.9
113.09646	28.6
115.05476	8.7
117.07017	20.3
119.04960	4.6
119.08594	80.3
121.06527	22.0
121.10146	94.2
121.10975	5.0
123.08080	25.5
123.11700	11.9
125.09624	36.9
128.06229	11.7
129.06999	22.6
130.07817	10.5
131.08598	47.3
133.06549	5.6
133.10144	53.0
135.08081	19.6
135.11699	21.3
137.09641	13.6
139.11203	40.3
141.07004	12.9
142.07791	26.0
143.08569	50.4
144.09373	10.3
145.06512	6.2
145.10144	78.3
147.08073	12.9
147.11696	22.6
149.09628	26.0
151.11099	8.0
153.07053	6.1
153.12746	9.8
155.08601	23.5
155.10672	30.4
156.09341	22.4
157.10147	80.8
158.10847	5.1
159.08092	23.0
159.11696	30.5
160.26321	3.4
161.09676	22.7
161.13255	8.4
163.11238	12.7
165.06998	11.7
165.09094	6.7
166.07828	3.7
166.12599	3.8
167.08580	13.2
167.10693	62.7
168.09326	8.7
169.10121	45.7
170.10910	12.0
171.11717	39.8
172.08931	4.6
172.12154	4.4
173.09691	9.5
173.13260	22.1
175.11194	12.5
175.14978	5.1
179.08513	18.4
179.14354	7.4
180.09286	5.6
181.10182	21.4
181.12238	38.1
182.10931	15.5
183.11694	33.2
184.12553	5.2
185.09610	8.4
185.13275	19.4
187.11288	3.7
187.14851	10.6
189.12761	7.6
191.14360	6.5
192.09369	6.7
193.10165	20.2
194.10979	16.4
195.11710	31.9
195.13791	11.0
196.12527	9.2
197.09624	5.5
197.13289	35.5
199.11238	7.3
199.14862	11.6
201.12823	7.4
201.16470	4.5
203.14392	4.2
205.10138	4.4
205.15916	5.7
206.10916	7.0
207.11732	25.9
207.13504	6.7
208.12379	10.9
209.13322	51.6
209.15254	7.5
210.14035	6.4
211.11308	5.4
211.14967	17.7
213.12796	8.4
215.14323	6.5
217.10173	4.2
217.15881	8.0
219.11713	6.2
220.12476	6.1
221.13298	17.7
221.15395	27.9
223.11217	4.2
223.14949	22.1
225.12732	8.7
225.16437	12.1
227.14255	6.8
229.15871	4.6
231.11784	7.0
231.17458	6.7
232.12502	8.6
233.13184	9.3
233.15410	42.2
234.13997	5.5
235.14848	20.9
235.16977	5.8
237.16431	7.0
244.12389	4.3
245.13342	8.4
246.16260	6.6
247.14815	13.4
247.17039	10.4
249.16495	15.7
251.17972	6.6
253.16029	4.3
257.19040	7.2
259.14825	11.8
261.16287	7.9
263.17969	8.7
269.18958	11.0
270.17883	3.9
273.16290	8.9
273.18823	5.0
275.17743	6.5
277.19473	7.2
280.83560	3.5
283.20599	9.9
285.18573	9.8
289.19568	6.9
295.04544	4.7
299.20184	23.4
307.20468	4.4
311.20160	8.7
335.23749	6.2
351.23337	6.1
361.25424	6.0
364.23877	6.5
365.24738	6.0
373.25189	5.8
377.24695	6.7
383.25986	6.1
413.28299	10.4
431.29590	4.8
489.33014	4.1
499.35611	4.2
563.38806	8.4
581.39874	46.5
582.39917	5.0
599.34088	15.5
599.40607	71.5
599.50348	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	600.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03450	0.5
55.05516	4.2
57.03449	5.2
59.04987	0.9
61.02921	1.5
67.05498	1.0
69.03439	5.2
69.38474	2.3
71.01369	0.8
71.04993	1.2
73.02553	0.6
73.02929	10.1
77.12585	0.6
79.05489	2.5
81.03413	0.8
81.07057	1.8
83.04999	3.4
83.08627	22.4
85.02926	4.5
85.06548	0.8
87.38331	0.5
91.05484	2.1
93.07037	1.8
95.08642	3.2
97.02901	15.6
98.22807	1.4
99.04489	2.7
105.07031	1.7
107.08603	39.4
108.08961	0.6
109.06498	0.9
109.10150	2.0
111.30507	0.6
112.81282	0.7
115.03950	3.3
119.08596	4.7
121.06513	0.8
121.10169	3.3
123.08118	3.2
125.05994	2.5
125.09643	33.7
127.03921	1.3
129.06992	0.6
133.04979	1.1
135.11699	5.3
137.09631	3.5
139.07539	1.5
145.04962	1.0
145.10123	0.9
147.08051	4.9
149.91707	0.6
153.12730	5.3
159.08022	0.6
159.11713	4.8
163.11208	7.4
165.09135	7.1
175.44768	0.6
177.12730	3.8
177.34232	0.6
181.12262	21.2
187.11066	1.3
195.13831	1.8
205.12251	11.3
223.13306	100.0
224.13658	2.6
249.11301	1.9
268.98639	0.7
293.68829	0.5
385.18637	0.7
438.45517	0.6
532.03815	0.7
553.54907	0.7
554.39380	0.7
571.83569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54442	1.1
55.05513	4.5
58.99591	13.9
67.05511	9.8
69.03440	1.2
69.07073	5.0
70.55466	1.7
76.02236	72.8
76.04012	1.7
76.94280	1.0
79.05503	4.6
80.57291	0.9
81.03419	1.4
81.07059	8.6
83.04971	1.3
83.06133	1.4
83.08633	1.2
84.04507	13.8
86.99065	4.4
91.05492	6.8
91.88102	1.1
93.07058	8.4
95.04977	2.8
95.08625	7.1
97.06472	1.0
97.10213	1.1
98.23170	1.0
100.12517	1.4
105.07063	8.1
107.04995	2.5
107.08592	5.7
109.06530	4.1
109.10164	3.7
115.05485	1.2
116.01691	21.2
117.07028	3.1
119.08608	6.0
121.05728	1.0
121.06548	4.0
121.10180	3.7
121.59169	1.0
123.08059	2.2
129.06819	1.2
130.04993	6.7
131.08582	7.4
133.10149	6.9
135.08043	1.6
135.11668	1.6
142.03239	4.3
143.08577	1.9
144.01160	15.6
145.10100	4.9
147.08118	2.5
147.11717	5.0
149.09630	2.4
151.11151	1.7
159.11719	4.3
161.09648	1.7
162.02219	39.4
163.11229	1.2
170.02783	2.4
173.09709	1.1
173.13283	1.6
175.11214	2.0
176.73157	1.2
177.69582	1.0
179.04877	100.0
180.05115	1.3
184.41614	1.0
187.05377	1.9
187.14862	1.2
201.12781	1.3
208.60291	1.0
215.04877	2.0
219.13635	1.3
233.05969	9.9
245.06038	3.7
257.19064	3.3
264.14075	1.3
273.18594	4.0
275.20096	25.7
291.06570	2.2
291.19617	2.6
293.21094	16.3
308.09143	35.1
368.22467	8.8
412.84528	1.2
453.24231	7.8
497.94800	1.2
525.26154	2.9
582.28979	1.8
600.29633	11.7
601.30939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14597	1.0
53.03954	1.2
55.01860	1.6
55.05515	3.5
58.99575	1.5
65.28180	1.0
67.05494	8.3
69.07075	3.8
71.04993	1.6
74.00684	2.5
76.02225	1.9
79.05494	6.8
81.03436	1.2
81.07057	22.5
83.04973	1.1
83.06104	1.5
83.08615	2.2
84.04498	5.0
85.01134	1.1
91.05473	5.3
93.07054	7.2
94.06599	1.3
95.04987	2.8
95.08601	10.4
97.01129	1.9
99.01416	4.8
100.02183	5.7
105.07012	5.8
107.04957	1.5
107.08591	5.0
109.06520	3.0
109.10181	2.1
112.02176	8.5
113.02985	1.2
114.03767	7.2
116.01705	2.3
117.07035	2.0
119.08605	5.1
121.06528	1.3
121.10143	3.1
122.09646	1.3
123.11713	2.0
125.09525	1.2
126.03730	2.1
129.06604	1.6
130.05049	1.0
131.08600	3.7
133.10132	2.3
135.11710	1.4
137.04245	1.6
138.03728	2.3
140.05289	6.2
145.10127	3.4
147.07957	1.1
147.11728	4.0
149.09650	1.6
149.13278	2.5
152.05333	1.6
154.06844	1.6
157.10118	1.2
163.11218	1.4
168.08406	17.2
168.09720	1.2
173.13292	2.4
179.05043	1.0
181.06047	1.5
185.03749	2.3
202.04123	1.5
207.13780	1.2
216.05745	3.6
231.04430	3.6
236.48619	1.1
241.06561	1.4
255.08058	2.6
264.14172	5.8
269.09592	1.9
270.10376	5.5
275.20032	7.3
281.14496	1.8
282.12125	1.8
282.15225	32.7
283.15463	1.1
293.21210	1.0
307.17151	1.2
308.09018	2.2
323.16031	1.1
333.18732	2.9
337.52106	1.0
350.21463	8.5
351.19778	2.1
368.22525	11.8
384.17105	12.5
385.17786	2.2
453.24161	100.0
454.24496	4.0
511.29056	1.2
525.26129	4.6
582.28253	2.2
600.29279	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	600.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.1
57.03428	8.2
57.59575	7.6
67.05512	47.6
69.03407	15.5
69.07046	16.2
72.95791	6.9
79.05492	47.7
81.03416	41.5
81.07043	34.6
83.04961	24.9
83.08611	8.2
85.02898	22.8
91.05479	44.6
93.07059	43.6
95.04951	17.1
95.08595	33.4
97.02869	12.3
99.04458	9.3
103.21951	7.8
105.07031	55.1
107.05010	9.5
107.08587	33.4
109.02874	18.7
109.06524	10.1
109.10150	14.7
111.04467	11.2
117.06997	24.5
119.08559	33.6
121.10144	28.6
123.08062	11.3
127.03915	36.3
129.06976	11.6
131.08566	46.7
133.10124	34.0
135.11729	10.8
143.08565	18.8
145.10103	53.7
147.11661	23.6
149.52028	8.1
153.01804	14.0
157.10065	13.6
159.11646	22.0
161.13148	8.7
169.10146	17.5
171.11685	12.9
173.13193	9.8
183.11755	18.1
197.13329	9.7
204.79649	8.3
229.15842	9.1
247.43658	8.5
249.18382	11.7
257.19055	21.2
273.18576	13.1
275.20071	75.1
293.21179	14.8
327.19553	7.8
343.98682	8.1
365.21164	10.8
383.22015	21.3
401.23425	61.0
419.24344	100.0
437.25388	63.9
455.26279	13.1
529.27905	14.8
547.29120	10.0
600.41071	29.6
601.25800	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	600.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01878	6.4
55.05511	23.9
57.03438	6.1
57.92411	2.6
65.03941	2.3
67.05508	53.4
69.03442	14.0
69.07070	20.0
69.31339	2.9
69.31672	11.4
71.04992	7.4
79.05499	39.8
81.03419	67.4
81.07061	71.9
83.04979	10.1
83.08621	20.3
85.02898	11.6
85.06532	3.3
91.05485	44.3
93.07041	41.1
95.04976	18.5
95.08603	25.2
95.88174	2.0
97.02909	14.6
97.06535	9.7
97.10196	11.3
98.23453	3.6
99.04466	4.2
99.08096	3.2
103.05479	3.1
103.32310	2.7
105.07037	36.5
107.04957	9.8
107.08595	23.1
109.02885	23.6
109.06516	11.8
109.10207	12.6
111.04448	10.2
111.08073	8.6
115.05479	3.4
117.07040	14.0
119.08573	25.2
121.06504	10.2
121.10159	19.0
123.04393	2.6
123.08076	4.6
123.11721	5.0
125.09644	10.2
127.03909	25.3
129.07014	8.9
131.04950	4.0
131.08566	19.7
133.06512	7.2
133.10126	24.7
135.08037	8.1
135.11678	12.5
137.05960	2.4
141.07050	4.4
143.08574	5.3
145.06554	3.2
145.10132	9.9
147.04498	2.2
147.08054	6.0
147.11688	13.9
149.06018	2.8
149.09605	12.2
149.13235	16.7
151.11205	4.4
155.08563	3.5
157.10060	10.7
159.11717	15.4
161.05978	2.8
161.09583	3.7
163.11192	6.6
165.12776	4.5
171.08083	2.4
171.11618	3.2
173.05994	3.2
173.11729	5.3
173.13211	4.7
175.07501	2.3
175.11104	3.6
177.12767	7.8
183.11696	3.6
187.11244	2.8
193.12276	8.7
195.13799	25.9
197.13216	3.6
201.12599	2.9
211.14857	2.2
213.13094	3.8
213.14822	16.1
235.13330	3.0
235.16696	2.3
239.17935	2.6
247.20705	2.7
249.14859	3.9
257.19119	8.3
273.18594	2.3
275.17075	2.4
275.20062	69.6
285.14722	3.1
293.21152	16.3
299.14960	5.7
303.15900	8.5
315.14362	4.0
321.16977	13.1
323.99170	2.9
339.18033	100.0
340.18286	2.5
343.18948	2.8
355.22977	2.9
357.19220	6.5
365.20978	3.5
383.22073	5.2
401.23187	10.4
419.24399	20.9
437.25409	14.9
459.27411	36.1
531.28613	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.0
53.03941	3.3
55.01867	4.1
55.05518	29.1
57.07066	13.4
63.16437	3.0
63.92771	2.9
65.03923	3.6
67.05506	37.7
69.03424	11.7
69.07059	24.1
71.04990	8.6
71.08622	5.3
79.05489	31.0
80.05830	3.4
81.07057	40.9
82.07395	3.9
83.04987	24.4
83.08630	29.2
85.06539	9.8
87.04472	5.5
89.06035	27.6
91.04942	4.0
91.05489	55.7
91.77790	3.1
93.07049	71.1
95.04965	39.8
95.08609	41.5
97.06527	27.0
98.23454	12.2
103.05466	5.8
105.07031	100.0
107.04968	6.4
107.08593	79.4
109.06528	20.3
109.10140	36.8
111.08134	6.0
113.09643	12.3
115.05481	7.3
117.07021	24.8
119.08578	92.5
121.06482	15.4
121.10150	57.5
122.10461	3.2
122.26501	3.3
123.08069	27.5
123.11713	9.1
125.09624	19.3
126.93327	3.4
128.06239	14.5
129.07031	25.6
130.07791	10.5
131.08565	47.0
133.06499	6.7
133.08621	15.3
133.10124	50.3
134.10519	3.6
135.08070	21.5
135.11690	16.0
136.12065	4.5
137.09621	13.1
139.11192	11.3
141.07025	8.8
142.07784	24.0
143.08568	54.1
144.09294	13.2
145.06509	4.8
145.10136	82.7
146.10573	4.5
147.08022	13.5
147.11674	32.1
149.09612	22.8
151.07532	6.4
151.11177	4.4
153.07043	3.9
155.08575	24.5
155.10637	15.7
156.09384	23.1
157.10135	80.0
158.10805	5.6
159.08115	19.6
159.11678	48.3
160.08859	7.5
161.09637	24.3
161.13242	8.0
163.11157	10.0
165.07057	8.0
165.09071	7.9
166.07837	5.6
167.08537	12.3
167.10707	30.9
168.09338	12.4
169.10133	31.8
170.10812	14.8
171.08119	4.3
171.11685	54.0
172.12291	4.2
173.09656	11.4
173.13260	28.8
174.13777	3.8
175.11188	23.9
175.14828	9.2
177.11234	4.6
177.12679	5.6
179.08568	14.0
179.14334	4.0
180.09277	6.9
181.10175	23.1
181.12231	12.2
182.10902	9.5
182.12553	4.1
183.11699	31.0
184.12393	6.1
185.09602	5.8
185.13275	30.2
186.10426	3.2
186.13795	3.3
187.11157	12.0
187.14824	11.0
189.12759	10.9
191.14293	12.7
192.09361	8.1
193.10162	15.8
193.12112	4.0
194.10870	15.4
195.11703	39.8
196.12384	12.0
197.13303	35.9
198.13882	4.4
199.11212	6.5
199.14819	14.3
200.15210	3.6
201.12785	7.6
201.16411	5.9
203.14362	13.5
205.10089	4.7
206.10921	6.6
207.11658	17.9
207.13669	6.9
208.12329	4.2
209.09956	3.4
209.13312	39.5
209.15271	5.1
210.13739	7.8
211.11169	8.2
211.14825	20.1
212.15361	4.6
213.12762	9.1
213.16393	8.9
215.14311	14.6
217.15869	4.4
218.10944	4.4
218.16547	5.0
220.12537	8.1
221.13242	17.7
221.15398	25.1
222.13914	6.8
223.11327	5.4
223.14894	19.1
224.15462	5.4
225.12833	6.0
225.16348	8.8
227.14354	10.2
231.11809	6.7
232.12273	4.1
233.13148	12.5
233.15376	36.7
234.13940	5.2
234.16093	6.9
235.14781	20.7
236.15311	5.1
237.12778	5.4
237.16406	11.2
239.14342	5.5
239.17874	4.0
245.13263	9.5
246.16132	5.2
247.14851	9.6
247.17114	5.3
248.15544	4.5
249.16293	10.6
251.17923	5.4
253.15829	4.6
255.17444	35.7
256.17804	4.6
259.14636	5.3
260.15433	4.6
261.16199	6.5
263.18015	9.7
265.19559	7.1
267.17438	5.6
268.18045	6.0
269.19055	7.5
270.19583	5.9
273.15985	5.6
273.18536	8.9
277.19525	4.8
281.18942	6.5
282.19504	4.0
285.18628	5.0
286.19263	5.4
289.19464	4.4
291.17380	5.7
294.19614	3.4
295.20801	4.5
299.20084	13.1
303.21100	3.7
307.20361	3.9
347.23557	5.0
360.24350	4.8
365.24792	7.2
383.25674	8.8
415.25171	5.5
582.40405	8.2
585.39429	4.5
600.41083	17.8
600.49988	4.3
601.37048	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	2.0
53.03922	3.5
55.05512	24.7
57.07068	10.4
59.04979	2.2
65.03938	4.4
67.05502	36.7
69.03419	16.8
69.07057	16.9
71.04998	10.3
77.03921	3.3
79.05493	31.3
80.05865	2.7
81.07058	42.0
83.04984	24.3
83.08620	15.5
85.02901	2.6
85.06547	7.4
85.78152	2.4
87.04455	5.0
91.05480	51.5
91.06053	2.7
92.05776	2.4
92.21503	2.5
93.07044	73.6
95.04967	28.8
95.08606	35.8
97.06524	17.5
98.23438	5.1
103.05502	5.3
105.04504	3.1
105.07026	100.0
106.07259	2.6
107.04939	5.6
107.08591	67.3
109.06525	20.5
109.10153	35.3
109.94671	2.4
111.04424	2.4
111.08064	8.0
113.06025	3.0
113.09624	6.2
115.05452	5.4
117.07026	24.0
119.08578	86.5
120.09377	4.9
121.06535	15.0
121.10140	62.8
121.10988	4.2
122.10485	2.9
123.08060	31.4
123.11693	6.1
124.08878	2.0
125.05985	4.2
125.09653	16.0
128.06216	15.1
129.07004	24.2
130.07799	11.4
131.08578	49.5
132.09358	3.2
133.06493	8.0
133.10117	50.0
134.10954	2.6
135.08061	20.0
135.11687	16.6
136.08672	1.9
137.09595	16.7
137.99402	2.2
139.07613	2.4
139.11194	6.4
141.06984	9.6
142.07780	27.9
143.08559	56.7
144.09375	13.8
145.06479	7.6
145.10123	85.0
146.10883	2.9
147.08078	20.7
147.11678	28.9
149.09644	22.4
149.13219	4.0
151.07516	9.8
151.11122	4.5
153.07008	5.7
154.07695	4.3
155.08557	23.8
155.10611	18.5
156.09331	22.0
157.10126	87.3
158.10866	12.9
159.08081	27.0
159.11681	57.0
160.08852	12.2
160.12503	3.3
161.09634	19.2
161.13251	11.4
163.08904	2.3
163.11192	14.3
165.07018	8.8
165.09039	13.1
166.07648	3.8
167.08568	11.2
167.10663	21.5
168.09351	12.8
169.10126	37.4
170.10886	14.1
171.11693	55.2
172.08878	5.3
172.12396	6.2
173.09593	14.2
173.13269	34.0
175.11186	21.6
175.14836	7.2
177.12755	5.5
179.08517	13.5
179.10706	3.0
180.09282	7.1
181.10139	22.7
181.12239	8.4
182.10957	13.0
183.08076	2.9
183.11697	39.4
184.12425	8.4
185.09685	9.4
185.13252	28.2
186.10367	4.0
186.13966	5.1
187.11171	13.7
187.14832	11.1
189.12729	14.7
190.13501	6.2
191.08594	2.9
191.14250	5.6
192.09340	5.8
193.10144	19.4
193.12071	4.3
194.10921	11.7
195.08127	2.7
195.11691	30.3
196.12373	12.3
197.09601	4.0
197.13248	38.7
198.13983	3.6
199.11162	9.4
199.14769	20.4
200.12006	2.9
201.12744	8.7
201.16483	3.9
203.10620	2.3
203.14304	18.2
205.10126	6.2
206.10916	8.5
207.11700	22.0
207.13808	8.2
208.12497	12.5
208.14285	3.2
209.09888	2.3
209.13268	31.2
210.14001	9.5
211.11288	4.5
211.14833	24.1
212.15332	2.1
213.12766	15.4
213.16391	9.4
215.14308	11.7
216.14983	2.6
217.10114	5.3
217.12271	3.2
217.15781	7.4
218.10870	2.6
218.16624	5.8
219.11665	7.4
219.13719	4.9
220.12422	6.7
221.13237	20.5
221.15390	38.9
222.13910	7.6
223.11194	3.6
223.14769	19.3
224.15515	4.4
225.12720	7.9
225.16269	15.0
226.17097	2.5
227.14330	9.5
227.17889	3.2
229.10007	2.6
229.15820	4.9
231.11562	3.1
232.12450	4.0
233.13202	11.3
233.15388	33.7
234.16129	8.9
235.14761	18.8
236.15555	3.5
237.12668	4.0
237.16473	18.7
239.14311	5.0
239.17934	6.9
241.15907	6.0
243.11688	2.7
244.12305	2.3
245.13127	5.4
245.15437	3.5
246.13831	5.0
246.16208	5.4
247.14781	10.3
247.17009	3.4
248.15570	3.8
249.16374	11.4
250.17059	2.8
251.17967	7.6
253.15858	8.4
253.19583	3.6
255.17439	52.9
256.17993	2.6
257.19086	3.6
258.13913	2.7
259.14767	7.3
260.15488	3.7
261.16367	8.6
263.18033	11.4
264.18814	3.3
265.16104	4.4
265.19522	8.8
267.17303	5.0
268.18289	4.7
268.85828	2.7
269.18985	9.2
270.19836	9.4
271.14438	2.8
271.17139	3.5
271.20450	2.6
273.16013	3.2
273.18515	8.2
274.19366	2.4
275.17917	4.2
277.19470	4.8
279.17447	5.3
281.18979	11.8
282.19839	5.6
283.20547	6.7
285.15848	2.9
285.18576	9.2
286.19348	4.6
287.17447	2.9
287.20078	7.9
289.16022	2.8
289.19418	6.0
291.20969	2.5
293.01236	2.3
293.18845	2.9
294.19882	3.1
295.20584	9.2
296.21060	2.3
297.18610	4.1
298.19183	2.8
299.20175	13.8
300.20828	2.8
303.19638	7.3
305.18887	2.7
307.20416	4.4
308.20856	2.9
309.22211	2.3
311.20071	4.1
312.20877	2.5
313.21774	3.3
315.21066	4.1
319.20438	4.0
325.21686	3.4
327.20840	2.7
331.24084	3.1
333.22055	4.3
347.23718	6.9
352.23886	5.5
353.24359	2.6
360.24661	3.3
361.25314	4.5
365.24707	14.6
366.25461	2.4
383.26132	11.5
411.26773	2.6
417.27979	2.9
453.31284	2.6
475.32285	3.0
520.35797	5.8
549.37390	2.6
582.40344	6.5
583.41284	3.1
600.41351	20.1
601.42169	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01872	2.4
55.05503	14.3
56.63764	2.1
57.07070	10.9
59.04999	4.9
65.03960	3.0
67.05513	30.4
69.03427	18.4
69.07075	19.3
69.26835	12.9
77.03946	2.8
78.74188	2.1
79.05493	31.8
81.07060	44.3
83.04996	20.1
83.08614	8.7
85.06534	5.7
91.05487	48.6
93.07047	78.5
93.95355	2.2
95.04970	26.4
95.08609	38.9
97.06521	12.4
103.05512	3.7
105.04548	4.9
105.07030	100.0
107.04960	2.2
107.08592	65.9
109.06515	23.6
109.10153	22.9
111.08057	6.6
115.05430	5.7
116.06229	3.1
117.07011	21.1
118.07796	2.4
119.04961	3.9
119.08583	83.0
120.09389	5.4
121.06516	18.5
121.10147	50.2
123.08075	32.7
123.11704	5.9
125.05980	5.4
125.09628	9.5
128.06224	14.5
129.07001	22.1
130.07771	9.5
130.65617	2.3
131.08571	47.8
132.09315	3.4
133.06488	8.8
133.10110	47.4
135.08051	25.6
135.11711	13.2
137.06026	4.4
137.09583	12.4
139.07542	4.4
139.11159	5.1
141.06963	7.7
142.07773	25.6
143.08560	52.8
144.09367	12.2
145.06488	4.4
145.10117	70.0
147.08055	35.2
147.11687	19.5
149.09592	23.9
151.07571	22.1
151.11200	5.3
154.07587	2.3
155.08554	17.1
156.09364	23.2
157.10129	83.6
158.10898	10.5
159.08072	20.6
159.11700	41.2
160.08783	6.1
161.09612	23.7
161.13248	10.8
163.11160	15.1
165.06995	6.1
165.09113	41.3
166.07751	3.9
167.08542	9.9
167.10732	14.7
168.09343	7.2
169.10138	32.2
170.10889	11.8
171.08052	3.2
171.11678	43.8
172.08807	3.0
172.12366	4.6
173.09608	13.7
173.13260	16.6
174.10371	2.8
175.11186	29.8
175.14819	5.3
177.09085	3.3
177.12787	6.7
179.08546	8.7
179.10709	6.3
180.09357	8.4
180.11476	5.6
181.08672	4.0
181.10089	16.1
181.12231	7.0
182.10892	9.3
183.11690	31.3
184.12418	6.8
185.09621	6.7
185.13269	26.2
186.14015	3.8
187.11177	12.9
187.14819	6.7
189.12727	13.9
190.13611	11.0
191.14304	5.1
192.09387	5.0
193.10138	11.7
193.12186	14.5
194.10942	11.1
195.11716	28.6
196.12471	7.4
197.09570	5.1
197.11697	3.3
197.13272	19.1
198.10355	3.3
198.13892	3.3
199.11182	12.0
199.14842	10.4
201.12730	8.8
203.14317	24.9
205.10091	3.4
206.10904	6.8
207.11703	16.0
207.13794	14.5
208.12488	7.7
208.14404	5.0
209.13243	21.9
209.15186	3.7
210.13947	5.1
211.11200	6.9
211.14853	13.7
212.11913	4.0
213.12706	10.2
213.16193	2.4
214.13499	4.8
215.10588	3.1
215.14270	7.7
217.10144	4.2
218.10893	3.5
219.11679	6.5
219.13812	8.4
220.12445	7.8
221.13272	12.9
221.15312	66.4
222.13838	3.9
222.15855	2.9
223.11232	4.8
223.14838	16.3
224.15340	2.7
225.12762	8.4
225.16330	6.7
227.14282	7.5
227.17853	3.5
229.15958	3.7
231.11761	4.7
231.13821	2.9
232.12563	4.3
233.13246	7.4
233.15393	24.3
234.14050	5.0
234.16164	7.9
235.14758	11.2
235.16953	3.2
236.15543	2.9
237.12669	6.4
237.14835	23.0
237.16757	6.8
238.17062	2.9
239.14299	4.0
239.17982	2.9
241.15865	5.3
243.13850	2.5
245.13239	6.5
246.14005	4.3
247.14790	6.3
247.16998	7.2
248.13857	11.8
249.16418	8.2
251.14194	4.9
251.18115	3.6
253.15932	5.6
255.17482	24.9
259.14688	3.6
259.17050	4.3
261.16385	6.1
263.14194	3.5
263.18033	6.1
264.18744	3.2
265.15857	3.7
265.19424	2.4
267.17371	5.0
268.18182	3.7
269.19077	6.9
270.19818	6.8
271.17023	8.1
271.20322	2.7
273.16199	4.2
274.19281	6.0
275.17929	5.0
277.19354	3.1
279.17419	6.1
281.19043	7.2
282.27780	2.7
285.18628	5.1
286.19397	14.0
287.20288	11.3
289.19351	2.9
291.16998	3.1
293.18958	4.3
294.19806	3.7
295.20453	5.4
297.18549	3.8
299.20099	11.8
300.20764	3.9
303.19592	46.0
309.18539	4.2
312.20645	5.5
313.21912	11.0
325.21735	13.7
337.21677	10.9
352.23950	65.8
353.24496	3.4
365.24881	16.6
377.24493	4.6
383.25717	8.3
391.26642	2.9
419.29016	2.8
420.29910	3.6
487.32364	2.9
502.34366	7.4
503.34906	2.7
505.33099	5.5
507.34641	9.8
520.35461	36.7
521.35974	3.7
583.41357	3.4
585.39148	4.5
600.41382	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.05522	12.9
56.15961	2.5
57.07074	10.0
59.05008	5.6
59.97461	2.5
60.74834	2.7
67.05505	26.4
69.03429	12.3
69.07059	17.0
69.54063	10.9
71.05026	3.2
77.03925	3.0
79.05500	30.5
81.07059	37.2
83.04986	16.7
83.08628	6.7
85.06577	6.3
91.05485	54.7
93.07045	72.1
94.69427	2.8
95.04971	30.4
95.08619	37.9
97.06551	7.9
98.23451	5.4
103.05453	3.7
105.04572	4.2
105.07036	100.0
105.07742	5.5
107.04961	3.6
107.08600	54.4
109.06550	19.8
109.10167	16.3
111.08089	5.2
115.05473	7.5
117.07034	23.4
119.08588	85.9
120.09411	5.9
121.06524	17.9
121.10156	45.2
123.08079	29.9
123.11696	6.8
125.06019	4.4
125.09665	6.3
128.06239	10.6
129.07027	26.8
130.07797	7.6
131.08566	44.0
132.09344	3.0
133.06522	10.0
133.10127	39.1
135.08067	25.0
135.11656	13.5
137.05997	3.7
137.09618	17.8
138.93338	2.7
139.07512	3.0
141.07030	11.7
142.07784	35.0
143.08560	56.9
144.09355	15.8
145.06488	5.9
145.10136	72.2
145.11232	5.5
146.10815	3.4
147.08052	42.1
147.11708	12.4
149.09618	25.3
151.07564	18.9
153.09097	3.1
155.08589	19.5
156.09372	22.3
157.10132	78.1
158.10907	10.4
159.08090	20.1
159.11716	43.4
160.08855	3.4
161.09624	23.7
161.13222	6.8
162.10451	3.5
163.11182	14.5
165.06993	8.0
165.09114	41.5
167.08591	7.8
167.10710	8.2
168.09387	9.2
169.10158	25.8
170.10901	11.5
171.11699	33.0
172.08861	3.9
172.12442	9.1
173.09650	16.7
173.13264	14.6
175.11191	24.9
175.14816	4.3
177.12733	3.3
179.08580	12.7
179.10663	6.3
180.09392	6.6
181.10159	19.1
181.12221	7.6
182.10976	7.6
183.08113	3.2
183.11696	28.1
184.12538	4.7
185.09612	6.8
185.13264	20.3
187.11215	7.0
187.14891	4.3
189.12732	17.4
190.13573	7.1
191.10693	3.6
191.14140	3.3
192.09389	4.0
193.10179	12.1
193.12245	12.2
194.10930	9.0
195.11670	22.4
196.12485	7.6
197.09694	4.0
197.11752	3.2
197.13342	17.1
198.10216	3.8
198.14056	4.4
199.11229	9.0
199.14876	6.8
201.12756	6.9
203.14365	24.7
205.10260	5.6
205.12250	4.0
206.10919	8.6
207.11740	19.5
207.13847	16.0
208.12482	7.8
208.14595	7.4
209.13364	19.0
209.15108	5.2
210.13951	3.6
211.11212	7.1
211.14832	8.5
212.11894	2.9
213.12758	11.0
214.90463	2.7
215.14436	4.4
217.12387	3.1
219.11728	5.5
219.13719	6.2
220.12402	3.8
221.13295	10.5
221.15355	70.6
222.13957	5.7
222.16013	3.9
223.11305	3.4
223.14857	9.6
225.12796	6.8
225.16493	7.3
227.14291	6.0
231.11597	5.1
231.13675	4.1
232.12453	4.9
233.13327	6.5
233.15427	15.3
234.16187	5.9
235.14839	11.4
237.12743	8.7
237.14909	30.0
239.14313	5.3
245.13164	3.9
246.14120	4.8
247.14801	5.1
247.17018	8.8
248.14137	9.7
249.16403	8.2
253.15987	8.4
255.17531	16.4
257.15482	3.0
261.16296	7.1
263.17990	5.2
267.17444	3.5
270.19821	4.9
271.17032	6.9
271.20016	3.4
274.19339	9.0
275.17856	4.0
279.17532	4.2
281.19122	3.8
285.18759	5.3
286.19189	9.3
287.20197	6.9
292.18243	3.0
294.19855	6.8
295.20566	3.6
297.18671	5.6
299.20087	8.4
303.19556	37.6
309.18530	3.0
312.20859	3.3
313.21594	10.3
325.21542	10.0
334.39447	3.2
337.21609	8.9
352.23981	70.9
353.24734	3.8
365.24869	14.4
377.24854	3.6
383.25873	6.2
487.31918	6.1
502.34299	10.5
503.35144	8.2
505.33221	3.5
507.34741	8.1
520.35614	34.8
583.41486	3.5
600.41626	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01864	4.4
55.05513	28.5
57.07072	17.0
58.96702	3.3
59.04998	7.0
62.63078	3.4
65.03929	7.1
67.05502	38.3
69.03430	26.3
69.07080	21.4
70.00042	7.0
70.00411	7.0
71.05000	5.2
79.05500	30.1
81.03413	10.1
81.07061	62.2
83.04987	21.8
83.08610	19.9
85.06563	9.3
91.05482	58.8
92.05827	5.9
93.07053	94.8
94.07391	7.2
95.04970	27.5
95.08619	57.9
97.06536	26.2
97.10171	5.5
98.06898	4.8
103.05447	7.9
105.04508	4.1
105.07038	100.0
106.07360	8.5
107.04953	5.3
107.08599	72.2
107.09329	3.8
108.08906	5.2
109.06509	25.0
109.10155	24.6
111.08111	7.1
113.09645	7.1
115.05475	6.9
117.07024	26.9
119.08591	91.4
120.08912	6.7
121.06491	22.6
121.10156	58.6
123.08080	32.9
123.11734	6.2
125.05978	4.5
125.09638	11.7
128.06239	15.7
129.07030	33.2
130.07787	7.7
131.08574	54.8
133.06485	6.6
133.10141	55.4
135.08070	28.3
135.11708	14.7
137.06001	6.6
137.09683	20.3
139.07521	4.6
139.11218	9.6
141.07010	6.3
142.07793	26.9
143.08578	54.7
144.09273	14.0
145.10141	64.0
146.10521	5.9
147.08055	54.2
147.11662	18.4
149.09650	19.3
151.07533	19.4
151.11249	4.6
154.07680	4.1
155.08563	22.0
155.10670	6.3
156.09351	25.0
157.10141	79.6
158.10756	12.1
159.08081	21.6
159.11705	40.9
160.08809	7.0
161.09668	21.4
161.13248	9.0
163.07594	4.3
163.11212	19.3
165.06969	9.4
165.09132	61.2
166.07851	6.6
166.09354	6.8
167.08560	7.4
167.10693	15.5
168.09302	7.2
169.10150	30.5
170.10837	11.0
171.11694	36.2
172.08743	4.0
172.12361	7.3
173.09634	12.6
173.13281	16.8
174.10477	3.5
175.11211	24.7
177.12810	5.5
178.09859	3.8
179.08618	10.6
179.10704	6.4
179.14250	5.8
180.09270	12.6
181.10129	14.4
181.12317	17.1
182.10915	10.2
182.12550	6.1
183.11710	32.2
184.12357	7.1
185.09625	6.5
185.13303	25.2
187.11214	12.8
187.14972	3.9
189.12758	16.3
190.13527	10.3
191.10814	4.2
192.09398	5.4
193.10091	14.9
193.12267	13.3
194.10854	8.2
195.11705	27.7
195.13681	6.8
196.12367	8.9
197.09651	5.2
197.13283	25.9
198.13788	3.9
199.11230	13.3
199.14742	5.2
201.12738	8.7
203.14354	27.6
206.10963	6.1
207.11693	16.0
207.13812	14.3
208.12479	11.4
208.14546	5.7
209.13295	24.4
210.13826	5.0
211.11214	6.2
211.14790	14.7
212.11829	4.8
212.15262	5.1
213.12761	8.0
215.14340	6.9
218.16295	3.9
219.11766	7.2
220.12462	7.4
221.13286	14.5
221.15335	89.0
222.13841	7.5
222.15808	15.6
223.11237	5.2
223.14825	14.2
224.40472	5.1
225.12627	8.2
225.16367	5.9
227.14403	5.6
231.11760	4.2
233.13193	8.7
233.15410	20.9
234.16017	11.9
235.14830	8.7
236.15398	4.7
237.12811	6.1
237.14600	16.8
241.16078	6.4
247.14754	6.9
247.16988	10.8
248.14171	5.1
249.16345	7.9
251.14240	3.7
251.17963	4.5
253.15910	8.1
255.17436	16.5
261.16254	6.6
263.18185	5.0
271.17014	9.7
274.19238	5.7
279.17514	5.2
285.18491	6.2
286.19266	13.9
287.19937	10.7
289.19611	4.2
297.18570	5.5
299.20316	8.4
303.19519	30.1
311.20398	4.3
313.21710	9.6
319.20496	5.0
325.21619	12.4
337.21689	7.1
352.24014	60.1
365.24817	13.6
378.25824	3.7
420.30344	4.1
502.34247	8.8
503.35306	5.5
507.34653	5.0
520.35443	30.7
600.41553	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1197
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
53.03951	0.8
55.05515	0.7
65.03944	0.9
67.05502	1.2
69.03417	1.3
69.07062	0.7
71.04986	1.3
71.68544	0.7
79.01877	3.2
79.05492	1.2
81.03412	1.7
81.07054	1.0
83.04971	2.1
84.53239	0.6
85.02905	1.3
85.06578	0.8
86.11359	0.7
87.40723	0.6
93.07066	1.0
93.98435	0.6
95.05012	0.6
95.08623	0.8
97.02886	2.2
98.22778	0.7
105.07001	1.0
107.01285	1.0
109.02921	1.1
109.10147	1.2
111.04449	3.4
121.02905	3.4
125.02357	2.1
127.03957	0.9
129.05496	0.6
136.42560	0.7
137.02296	0.9
137.09622	1.8
143.03433	3.9
147.04407	1.0
153.01837	100.0
153.02899	4.8
154.02170	1.5
165.09125	0.9
166.09406	0.7
167.03423	1.0
173.06009	0.8
179.03415	1.2
181.01326	1.6
198.85616	0.6
201.05470	1.1
207.02971	5.1
217.04901	0.8
219.06540	3.9
220.06615	0.7
221.04529	1.0
223.02245	1.0
227.30589	0.8
235.05907	0.7
263.05389	3.1
281.06573	15.5
299.08057	3.1
303.04941	2.3
315.05026	2.8
327.04919	5.0
345.06146	6.0
369.06323	1.0
395.07941	0.8
413.08466	1.4
421.15152	1.0
431.09708	1.8
449.10458	0.9
497.06763	0.6
601.12256	1.2
601.26257	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	601.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00285	0.9
67.05529	1.3
69.07088	1.8
70.35844	1.3
70.36178	0.9
71.05007	1.1
79.01858	3.5
81.07034	1.0
83.04992	2.3
85.02920	2.9
93.07053	1.0
95.08624	1.2
97.02859	1.2
107.08627	1.1
109.10178	2.7
111.04466	3.3
119.08599	1.0
121.02884	4.0
125.02415	1.5
137.02344	2.2
137.09627	1.6
138.09941	1.1
143.03365	6.4
153.01831	100.0
154.02165	1.7
161.06145	1.0
167.03455	2.2
170.83214	0.9
179.03339	1.4
181.01407	1.0
201.05559	1.7
202.20818	1.0
207.02884	4.6
219.06602	3.9
221.04501	1.6
235.05972	1.3
244.22401	1.0
263.05551	2.6
281.06552	16.0
299.07727	2.8
303.05005	2.7
315.05099	2.7
327.04974	5.6
341.06354	1.0
345.06326	5.3
369.05978	1.5
413.08609	1.8
421.15427	1.4
431.09348	1.2
449.10681	1.4
600.40820	3.0
601.11951	2.0
601.26886	5.7
601.41663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16208	0.6
55.05509	2.6
57.03451	0.8
57.07093	0.6
59.05024	0.5
59.09026	0.6
65.03910	0.7
67.05497	5.6
69.03433	1.5
69.07082	1.5
69.80534	0.6
71.08633	1.0
73.97585	0.5
79.05491	3.0
81.07059	4.8
83.04978	1.9
83.08608	3.6
84.08909	0.6
89.47758	0.6
89.59394	0.6
91.05471	3.4
92.05836	1.2
93.07063	4.8
95.04987	2.1
95.08607	3.0
96.08933	0.9
97.06533	2.6
98.22659	1.1
105.07009	4.0
107.08612	3.5
108.08950	1.0
109.06575	0.6
109.10181	1.3
113.09742	0.7
117.07024	1.1
119.08608	2.8
120.08931	1.2
121.06526	0.8
121.10154	3.3
122.10450	0.6
129.07037	0.8
131.08588	2.1
131.89133	0.6
133.10133	1.7
135.08073	1.1
135.11693	0.8
139.11221	1.0
142.07813	0.7
143.08553	1.6
145.10153	2.3
146.10522	0.7
147.11710	0.9
149.09563	0.7
149.13339	0.7
155.10631	0.9
157.10130	1.9
158.10536	1.3
159.11694	1.0
161.09654	0.8
167.10680	1.8
168.11060	1.0
169.10138	0.9
171.11850	0.7
181.12204	0.7
182.12683	0.6
183.11656	0.8
186.40092	0.6
186.42026	0.6
193.09879	0.7
197.13295	0.9
198.13663	0.7
209.13283	0.9
223.14642	0.6
233.15358	0.9
234.15755	1.3
235.12996	1.1
238.59447	0.6
251.12686	0.7
284.20825	0.7
291.15634	1.4
317.20932	2.1
333.20361	3.3
334.14597	0.5
348.51028	0.7
373.23514	1.8
389.22922	2.4
396.73672	0.6
433.62146	0.6
471.30453	0.7
601.37030	100.0
602.37469	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	601.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.77777	0.5
61.60664	0.5
62.77782	0.6
62.96196	0.6
67.05499	2.7
69.03434	0.5
69.07057	0.7
71.44330	0.6
74.88215	0.6
79.05491	2.6
81.03410	0.9
81.07050	2.5
83.08614	0.8
86.85284	0.6
88.22279	0.5
89.47421	0.5
91.05484	1.8
93.07047	2.1
95.08632	0.6
97.06472	0.6
103.43830	0.6
105.07045	1.3
107.08591	1.0
109.10098	0.7
119.08591	1.1
121.10243	0.6
121.78387	0.6
131.08588	0.7
133.10201	1.1
135.98264	0.6
145.10146	0.8
157.10162	0.7
162.42316	0.5
173.17624	0.6
251.12604	1.9
307.15186	2.4
317.20715	3.4
373.23517	2.6
601.37115	100.0
602.37469	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05523	7.4
55.95628	2.8
57.07084	10.8
59.04998	4.4
65.03954	4.4
67.05509	22.7
69.03439	9.7
69.07063	7.9
69.13219	13.4
69.13625	4.5
79.05504	22.2
81.07066	24.5
83.05012	7.4
83.08642	3.5
85.06542	4.3
91.05491	30.3
93.07057	43.2
95.04993	9.5
95.08617	27.1
97.06564	3.7
102.50368	2.9
105.07030	49.6
106.07320	4.5
107.08592	24.7
109.06544	13.4
109.10156	16.0
111.04388	3.2
117.07026	8.1
119.08584	57.9
120.08910	3.4
121.06519	5.5
121.10134	31.5
123.08081	22.9
125.05972	8.1
128.06213	5.0
129.07027	11.1
130.07782	4.2
131.08580	18.7
133.10112	23.7
135.08073	12.2
135.11687	12.1
137.09612	12.3
140.91121	3.0
141.06987	4.0
142.07803	6.9
143.08571	18.7
144.09322	3.4
145.10152	33.6
147.08043	35.1
147.11694	7.4
149.09671	5.6
151.07521	15.7
155.08575	5.0
156.09315	8.1
157.10141	22.9
158.10561	3.4
159.08105	4.4
159.11679	22.2
161.09679	8.4
161.13275	4.4
163.11218	9.9
165.09135	58.4
167.08604	5.1
168.09256	4.2
169.10132	13.1
169.25293	2.8
170.10858	4.7
171.11774	15.0
173.09644	5.8
173.13327	8.3
175.11177	6.5
175.14801	4.2
177.09113	3.5
179.08516	4.5
181.10123	7.5
181.12221	8.1
182.10896	4.3
183.11667	14.1
185.13257	9.7
187.14928	7.4
189.12781	4.1
191.14427	3.6
193.12283	3.3
194.10898	4.7
195.11659	7.1
197.13297	9.8
203.14311	22.5
207.11681	4.7
207.13818	7.2
209.13379	7.8
209.15416	3.9
211.14732	4.6
221.13217	6.7
221.15375	100.0
222.15756	8.2
235.14830	5.1
247.17003	6.5
248.17499	4.2
257.34805	3.0
274.19208	3.5
275.48907	4.1
287.20215	4.5
299.20193	6.0
299.69357	2.9
300.20749	5.1
301.15347	3.0
301.21655	6.4
313.21521	3.6
326.22153	3.1
341.24371	2.9
352.23972	5.0
353.24274	4.9
367.26352	8.0
420.29309	3.4
440.29153	4.3
441.29431	12.0
467.57327	3.1
491.35123	10.3
495.11945	3.0
509.36322	4.9
521.35828	10.0
583.41760	17.9
601.42493	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12319	5.2
57.56490	5.8
69.40926	5.3
71.04986	31.0
83.06673	4.7
89.02415	6.9
98.97572	7.2
113.06009	37.4
131.07051	100.0
163.03911	7.3
251.21962	6.6
257.09958	5.1
293.12207	6.7
299.75101	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	602.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88026	1.1
51.35474	0.9
53.03960	5.9
53.04160	1.0
55.01880	6.5
55.02102	1.2
55.05512	15.3
56.03911	1.2
57.03436	3.0
57.07067	3.0
60.73108	1.0
65.03932	1.9
65.78333	1.0
67.05508	34.2
69.03428	15.4
69.07073	11.6
69.64488	1.1
71.04998	4.7
71.08634	5.9
71.57368	1.2
77.03919	1.3
79.05495	22.7
81.03424	36.4
81.07059	50.4
83.04985	8.5
83.08624	16.6
85.02895	6.8
85.06535	2.9
85.10177	2.3
88.49467	1.3
91.05482	22.9
93.07047	35.0
95.04972	11.1
95.08601	20.1
97.02893	11.2
97.06525	7.3
97.10163	7.1
98.22640	2.4
99.04476	5.7
99.08098	8.6
103.03929	2.7
103.05462	1.5
105.04482	1.2
105.07038	16.9
107.04938	5.5
107.08604	18.8
109.02879	23.0
109.06523	4.7
109.10169	6.4
110.72600	1.2
111.04456	8.7
111.08082	8.5
113.09648	3.1
117.07024	10.0
118.16116	1.1
119.08574	9.0
121.06513	5.6
121.10165	10.9
123.04430	2.9
123.08081	2.1
123.11699	4.7
125.09628	7.1
127.03930	25.4
128.06172	1.4
129.07004	5.6
131.04942	3.3
131.08583	10.1
133.06494	4.1
133.10139	13.3
135.04410	1.5
135.08072	3.8
135.11700	9.1
137.06015	2.3
139.11186	2.4
143.08540	2.6
145.06496	4.2
145.10190	3.5
147.04367	2.6
147.08102	2.4
147.11700	10.2
149.09639	2.8
149.13261	18.0
151.11159	8.3
155.08588	2.7
157.06444	1.4
157.10130	2.7
159.07953	1.4
159.11679	10.7
161.05991	1.7
161.09634	1.3
161.13240	2.6
163.11116	6.0
165.12735	5.6
171.11687	2.1
173.06032	1.8
173.13330	2.1
175.07593	2.0
175.11168	3.6
175.14815	1.5
177.12726	8.0
179.14337	3.6
183.11743	2.0
185.08099	1.4
185.13161	2.3
189.11185	4.0
189.12772	2.2
191.14330	1.6
193.12296	1.1
195.13797	27.0
201.12811	1.4
207.13815	1.4
213.14822	13.7
215.14429	1.4
219.13899	2.8
231.13866	1.9
233.15494	2.7
235.13318	2.3
237.14880	1.7
249.14944	2.8
255.13770	1.2
257.15439	1.7
259.20596	1.7
261.14822	1.6
275.16379	4.1
277.14566	1.4
277.21625	35.8
278.22101	1.4
279.15887	2.7
285.14853	3.7
287.16473	2.7
295.22641	13.7
297.13657	1.2
303.15891	9.1
315.14407	3.7
321.16965	13.1
339.18033	100.0
340.18356	4.2
357.19186	3.9
385.23416	2.3
386.38007	1.2
403.24719	6.6
421.25827	10.5
439.27042	6.1
460.98019	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	603.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26312	0.6
67.05518	2.8
67.89289	0.6
69.07088	1.1
73.20914	0.6
73.49088	0.6
79.05510	1.3
81.07056	4.2
83.08627	0.7
89.63274	0.7
91.05516	1.0
93.07061	3.0
95.04952	0.7
95.08612	1.1
98.23507	1.4
98.33213	0.7
103.52126	0.7
107.08604	1.8
109.10177	0.7
109.14673	0.6
121.10167	1.2
124.16726	0.6
133.10194	1.1
140.65277	0.6
149.13284	1.6
153.80618	0.7
235.12978	1.3
251.12595	1.6
291.15680	1.3
335.21915	6.6
391.24832	3.5
428.16611	0.7
505.35291	0.8
603.38708	100.0
604.38892	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	603.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86170	0.7
55.05506	0.8
56.78603	0.8
58.41980	0.7
62.98225	0.8
67.59358	0.7
69.07086	0.8
70.71324	0.7
79.05496	1.8
81.07055	2.7
83.08605	0.8
87.88970	0.6
91.05474	1.3
93.07043	1.2
95.08612	2.2
105.07067	1.1
107.08630	0.7
113.52610	0.7
119.08598	1.0
121.10180	1.0
130.36903	0.6
133.10139	0.8
152.47649	0.6
176.28372	0.8
200.37518	0.6
227.81039	0.8
251.12563	2.5
307.15237	0.9
319.22507	0.9
335.21988	1.1
343.26071	0.7
375.25171	2.5
410.31985	0.8
564.35938	0.7
603.38660	100.0
604.38971	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	604.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	25.6
67.05502	87.1
69.03439	7.8
69.07075	26.9
69.22182	39.4
79.05489	38.4
81.03430	56.6
81.07062	99.9
83.08617	17.9
85.02863	11.8
88.05137	7.2
91.05470	16.9
91.31518	5.3
93.07058	52.0
95.04967	10.6
95.08614	88.5
97.02887	11.4
97.06519	10.9
97.10175	11.3
99.04475	8.2
99.08080	10.6
105.07048	26.7
107.08588	32.8
109.02884	100.0
109.10157	43.1
111.04452	17.0
112.24355	5.8
117.07061	10.3
119.08582	18.8
121.10134	30.4
122.13541	5.4
123.11720	17.0
127.03909	50.8
128.72623	6.0
131.08568	16.2
133.10162	20.0
135.11710	22.4
137.13254	12.0
139.11125	6.9
147.11697	11.7
149.13326	8.2
151.14969	5.9
153.12778	6.5
161.13228	11.1
163.14795	8.6
168.85704	6.3
173.13214	7.8
174.46468	6.1
184.07352	13.7
209.33667	7.4
243.21075	11.8
254.65950	5.5
261.22125	21.3
277.21701	8.7
279.23184	67.8
297.24185	49.7
303.23636	5.3
339.25360	8.1
353.41861	6.1
369.24591	12.2
387.25366	33.5
387.63080	6.3
405.26346	44.2
423.27426	67.5
430.16486	6.4
441.28540	48.5
459.29388	13.2
604.26978	28.5
605.29358	77.8
632.81555	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	605.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.4
66.22449	0.4
67.05487	0.6
69.03419	1.1
69.25941	0.4
70.10735	1.0
70.37811	0.3
81.03406	0.7
82.99888	1.2
85.02901	1.8
86.99370	0.4
89.03902	0.5
95.04967	2.9
97.02891	3.3
98.97558	2.5
101.00874	7.6
109.02840	0.9
110.97600	0.8
113.00889	2.0
115.02431	0.6
116.98621	0.8
117.03408	0.6
119.01921	11.6
127.02408	2.8
127.03869	0.6
128.98628	0.7
131.01906	4.2
133.03467	0.5
135.04436	1.3
137.02974	0.9
139.02422	0.8
143.01892	8.2
144.01993	0.4
145.03503	8.5
153.01826	1.4
155.01900	7.0
156.02676	0.9
157.03464	4.5
159.01393	0.8
161.01599	0.7
161.02963	12.6
163.03838	9.5
164.04179	0.6
167.01895	1.3
169.03464	2.5
171.05022	1.3
173.02972	6.5
175.04514	1.7
179.01848	2.2
179.03979	0.4
185.02956	5.5
185.06508	0.5
187.04526	8.8
189.06075	1.2
195.04976	2.7
197.02960	10.0
198.03326	0.4
199.04474	0.6
201.00735	0.5
203.04015	9.8
205.00938	0.5
210.01283	0.5
213.06082	20.8
214.06339	0.8
215.04002	0.9
219.01720	2.5
221.05060	14.1
222.05307	0.6
225.06113	0.9
227.04037	0.9
229.03632	0.7
229.05603	4.3
231.07158	15.0
237.02824	1.6
245.05067	100.0
246.05298	4.2
247.04320	0.5
247.06665	10.8
248.07074	0.7
255.07166	4.4
263.06128	23.2
264.06439	0.9
273.08215	12.4
274.08499	0.7
286.07663	0.9
287.09845	0.6
291.09244	2.0
297.08200	1.9
315.09195	3.1
333.10367	18.6
333.56815	0.5
333.60471	1.0
334.10376	1.1
349.08160	0.4
351.07098	0.5
351.11404	10.7
351.56854	0.5
352.11368	0.4
355.08826	3.1
425.13013	1.1
439.09720	0.5
467.13959	0.6
469.10165	1.2
469.60733	0.4
485.09573	1.9
503.10370	0.8
605.19128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
57.03588	0.7
69.13345	2.3
73.02734	1.3
73.03171	0.8
83.08422	1.0
83.08905	0.5
85.02759	0.4
100.98392	0.4
121.02642	0.4
127.03468	0.4
141.04985	0.6
155.02910	1.0
155.04028	0.4
169.04416	1.1
169.05724	0.5
171.02379	0.9
173.04002	0.7
185.04002	0.6
193.08066	1.2
193.58420	0.3
219.09715	0.4
221.07622	0.5
229.06660	0.4
233.11299	0.9
247.09259	0.7
255.29700	0.4
261.10721	1.6
301.08636	0.6
307.11389	0.6
317.05280	0.4
317.08411	5.1
327.13815	0.7
333.07901	11.8
335.09497	3.4
361.10745	0.5
367.29776	0.4
403.12048	1.8
413.18039	0.5
417.13376	1.0
425.17676	0.9
441.17255	3.3
459.18362	6.6
467.10818	0.4
485.20157	0.8
487.18076	0.5
489.19464	1.7
515.20770	1.2
531.20532	2.5
541.22607	0.5
545.22156	3.4
555.20502	2.0
558.23126	0.6
571.23291	0.7
573.21521	100.0
574.22046	3.2
605.24176	39.4
606.24506	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	605.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
57.03588	0.7
69.13345	2.3
73.02734	1.3
73.03171	0.8
83.08422	1.0
83.08905	0.5
85.02759	0.4
100.98392	0.4
121.02642	0.4
127.03468	0.4
141.04985	0.6
155.02910	1.0
155.04028	0.4
169.04416	1.1
169.05724	0.5
171.02379	0.9
173.04002	0.7
185.04002	0.6
193.08066	1.2
193.58420	0.3
219.09715	0.4
221.07622	0.5
229.06660	0.4
233.11299	0.9
247.09259	0.7
255.29700	0.4
261.10721	1.6
301.08636	0.6
307.11389	0.6
317.05280	0.4
317.08411	5.1
327.13815	0.7
333.07901	11.8
335.09497	3.4
361.10745	0.5
367.29776	0.4
403.12048	1.8
413.18039	0.5
417.13376	1.0
425.17676	0.9
441.17255	3.3
459.18362	6.6
467.10818	0.4
485.20157	0.8
487.18076	0.5
489.19464	1.7
515.20770	1.2
531.20532	2.5
541.22607	0.5
545.22156	3.4
555.20502	2.0
558.23126	0.6
571.23291	0.7
573.21521	100.0
574.22046	3.2
605.24176	39.4
606.24506	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	605.2941
Annotation	CHEBI:70546
Peak:m/z	Relative Intensity
53.44625	0.8
53.69572	0.8
57.07111	1.0
61.91649	0.8
67.05499	1.3
69.07095	1.0
76.99844	0.9
81.03423	1.3
81.07056	1.8
91.05502	1.2
94.71895	0.8
97.02892	1.0
98.23135	1.1
135.11812	0.9
145.05003	0.9
145.10146	0.9
149.02330	6.4
169.36636	0.9
269.58145	0.8
277.14429	2.2
322.35626	0.9
418.35315	1.1
443.28003	1.1
605.29382	100.0
606.29749	4.5
619.49799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32999	0.4
56.50748	0.4
69.25380	2.3
74.53413	0.4
89.52336	0.4
95.81187	0.5
98.23077	2.0
138.56627	0.4
163.03943	0.5
177.04033	0.5
177.06076	0.5
190.50476	0.4
213.06081	0.4
238.65555	0.5
244.73534	0.4
247.06584	0.6
258.28079	0.5
269.43893	0.4
307.30209	0.4
314.09271	2.9
314.59424	2.3
315.10507	100.0
316.10873	2.4
321.88049	0.4
402.29633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.28668	0.2
65.17483	0.2
79.05518	0.3
81.07040	0.2
91.05461	0.3
93.07040	0.4
137.21062	0.2
177.78947	0.2
187.17389	0.3
209.10716	0.3
221.10788	0.4
223.12347	0.3
229.42120	0.3
279.66898	0.2
373.14661	0.3
374.15369	0.6
375.15952	0.7
376.17166	0.2
387.16132	0.4
388.16708	1.0
389.17661	2.1
390.18451	0.9
391.19174	0.8
399.16196	0.3
401.18018	0.5
402.14200	0.5
402.18695	0.9
403.19489	3.3
404.20111	1.5
405.20847	2.8
406.21487	0.3
415.19797	0.3
416.15533	0.9
416.20636	0.5
417.16251	3.8
417.21222	1.7
418.17465	0.8
418.21573	1.0
419.22379	5.4
420.22992	0.8
430.17795	0.7
431.18329	7.0
432.19147	3.4
433.19861	2.7
443.18573	0.3
444.19501	0.4
445.20139	4.2
446.20932	7.1
446.26831	0.4
447.21698	7.1
448.22318	0.9
449.20078	0.2
458.20688	0.2
459.17679	1.0
459.22153	1.2
460.18826	0.8
461.19531	1.6
462.24658	0.5
463.20468	0.5
463.26044	0.4
473.13675	0.2
473.18747	0.5
473.23792	0.8
474.20306	5.0
475.21075	4.6
476.21432	0.7
477.22971	0.6
478.23669	0.8
487.21219	1.5
488.22287	0.6
489.22824	0.3
490.24136	0.4
491.19864	2.1
501.22858	0.9
502.23221	0.2
503.24374	0.3
505.22171	0.8
506.22891	0.5
519.24036	15.4
520.24408	0.9
532.20313	0.4
533.21649	0.3
547.23370	12.3
548.23792	2.0
551.26550	0.5
561.24365	0.3
575.23181	0.3
579.25983	5.2
589.24750	0.3
607.25433	100.0
608.25781	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	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
70.71617	0.3
74.62932	0.2
140.83519	0.2
146.50146	0.2
146.65176	0.2
177.80518	0.3
193.07858	0.3
387.15985	0.3
388.17181	0.3
389.17593	0.9
401.17664	0.4
402.18393	0.6
403.19061	2.2
404.19931	0.6
405.20685	1.3
415.19543	0.3
416.20508	0.5
417.16089	0.5
417.21356	2.5
418.21567	1.1
419.22440	2.4
429.21066	0.4
430.17871	0.6
430.36478	0.3
431.18124	6.1
431.23718	0.4
432.18546	1.4
432.24249	0.4
433.24231	5.1
434.24731	1.0
443.18542	0.3
445.19720	6.3
446.20679	3.4
447.21460	3.0
449.23627	0.4
459.21201	2.8
460.22516	8.5
461.23331	8.8
462.23849	0.4
473.24011	1.7
474.24142	0.5
477.23160	0.7
487.25415	1.4
488.26080	0.3
489.22540	0.3
492.25287	0.7
503.24454	0.4
505.21622	2.3
506.26666	0.3
515.24573	0.5
518.22858	0.4
519.24500	0.8
519.27344	0.9
532.24835	0.5
533.25708	0.5
547.27008	23.4
548.27179	1.2
575.26135	0.6
578.24933	0.4
579.29858	0.3
607.29102	100.0
608.29407	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	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
69.76261	0.8
71.43645	0.2
72.67023	0.2
98.22719	0.3
122.92092	0.2
167.77831	0.2
169.67931	0.2
172.10857	0.2
191.53172	0.2
233.13010	0.2
301.87817	0.2
388.16483	0.2
389.17444	0.5
390.18829	0.2
396.34238	0.2
401.17859	0.3
402.18411	0.6
403.19113	2.1
404.19974	0.6
405.20743	0.8
415.18982	0.6
416.19946	0.7
417.16019	0.4
417.21188	2.2
418.21469	1.3
419.22491	1.7
430.17291	0.3
430.22397	0.3
431.17978	3.9
432.18640	1.1
433.24060	5.0
434.24438	0.7
444.18863	0.3
445.19705	5.7
446.20694	2.9
447.21729	2.4
459.21497	2.6
460.22504	6.8
461.23239	8.0
462.23749	0.6
473.23633	1.9
474.23764	0.7
477.22815	0.4
487.24915	1.2
492.25089	0.3
505.21362	1.0
515.24207	0.4
519.27148	1.5
532.24451	0.6
547.27026	31.6
548.27179	1.6
575.26428	0.9
579.29382	0.7
607.29108	100.0
608.29431	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.309
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32937	0.3
67.05508	0.4
69.26669	1.7
81.07055	0.6
85.59412	0.3
95.08561	0.5
98.22657	0.5
107.84396	0.4
112.85881	0.4
142.41446	0.3
153.01874	1.0
159.61255	0.3
179.99515	0.3
215.94217	0.4
266.68723	0.4
348.72894	0.4
353.22562	0.5
497.27072	0.8
535.34167	0.5
535.48987	0.4
547.31793	0.7
607.30865	100.0
608.31317	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	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.01588	0.4
51.02374	0.3
51.34821	0.4
53.03952	0.8
55.01866	1.5
55.05510	14.7
55.05781	0.9
55.67274	0.4
55.90125	0.4
57.03441	3.0
57.07068	1.8
60.26746	0.3
62.14854	0.3
65.03943	1.3
67.05505	23.0
69.03416	0.5
69.07065	11.2
69.09975	0.4
71.04984	1.3
71.08644	0.6
75.15480	0.4
77.03931	0.9
79.05489	16.0
81.07053	23.5
83.04966	1.4
83.08621	6.1
85.06537	0.9
91.05470	13.5
93.07043	17.5
93.81880	0.3
95.04974	2.5
95.08603	19.3
95.53262	0.4
97.05975	0.4
97.06499	1.9
97.10159	3.3
97.79749	0.4
98.23485	0.9
99.08091	0.8
103.05483	0.5
105.04551	0.9
105.07025	15.1
107.04961	0.4
107.08591	11.4
109.06532	0.7
109.10155	7.0
111.08091	0.5
115.05448	1.1
117.07011	9.2
119.08577	12.1
121.10139	6.8
123.08038	0.7
123.11717	2.8
125.09670	1.1
128.06226	2.7
129.06999	10.7
130.07813	0.8
131.08566	12.9
133.10127	9.3
135.08096	0.6
135.11682	4.6
137.13275	1.0
139.11182	0.6
141.06987	5.0
142.07765	3.2
143.08559	13.2
144.09285	0.7
145.10112	12.9
147.11687	5.9
149.09549	0.4
149.13257	2.3
151.14806	0.5
151.65404	0.4
153.07028	1.6
154.07758	1.8
155.06065	0.5
155.08549	11.4
156.09348	1.6
157.10129	13.2
157.11391	0.7
158.10832	0.5
159.11682	9.5
159.12950	0.7
161.13264	3.2
163.14845	1.0
165.07068	1.6
166.07759	0.8
167.08569	6.0
168.09393	1.6
169.10120	14.9
170.10893	0.9
171.11678	10.5
172.12477	0.5
173.13264	5.6
175.14836	3.0
177.16397	0.4
178.07748	0.4
179.08559	2.5
179.14336	0.6
180.09338	0.9
181.10129	7.9
182.10921	1.7
183.11673	13.7
184.12236	0.4
185.13257	8.8
187.14795	3.2
189.16380	1.3
193.10124	2.8
194.11018	0.6
195.11694	9.2
195.13560	0.6
196.12392	1.2
197.13245	10.2
198.14078	0.7
199.13179	0.6
199.14830	5.8
201.16420	1.9
203.17932	0.6
205.10132	1.1
206.10919	0.6
207.11659	3.1
208.12561	0.4
209.13228	6.6
210.14035	0.6
211.14815	7.4
213.14836	0.5
213.16464	3.8
215.17976	0.9
219.11719	1.1
221.13242	3.5
222.13922	0.6
223.14799	5.3
223.16750	0.4
225.16371	4.4
227.18105	2.8
229.15981	0.5
233.13258	0.6
235.14751	2.4
237.16386	3.6
239.18040	2.6
241.15906	0.5
241.19730	0.8
249.16452	1.4
251.17963	2.3
253.19579	1.5
255.17372	0.5
257.19113	0.8
261.16339	0.8
263.18027	0.8
265.19601	2.2
267.21005	0.8
271.20483	0.6
275.17679	0.5
277.19629	0.6
279.21155	0.8
283.20682	0.9
285.18546	0.6
285.21887	0.5
287.20145	0.5
291.21182	0.6
293.18817	0.4
295.20374	0.6
297.21912	0.8
299.20081	0.4
301.21603	0.5
307.20398	0.6
309.21906	0.7
311.23724	0.8
313.21625	0.4
313.25247	0.5
321.22162	1.5
323.23718	1.5
325.21628	0.6
325.25180	0.8
327.23019	0.7
329.24808	0.4
335.23724	1.2
337.25281	1.2
339.23175	0.6
339.26886	0.5
341.24734	0.6
349.25461	0.9
351.22986	0.6
351.26721	2.4
353.24658	0.8
355.26505	0.5
361.25104	0.5
363.26913	1.0
365.28436	1.8
367.26239	0.6
369.27936	0.9
377.28461	0.7
379.30103	0.9
381.28000	0.7
383.29742	0.6
391.30051	0.9
393.27316	0.6
393.31784	0.8
407.29233	0.8
409.31134	0.5
425.30701	0.6
429.31497	0.5
441.30106	0.5
447.32565	1.7
449.34232	0.8
459.31400	0.6
461.33868	0.9
475.35077	0.6
499.39432	1.4
517.40411	10.0
518.40887	0.5
521.36627	0.9
527.37097	0.9
535.35461	0.4
535.41681	5.3
539.37323	1.4
540.38184	0.8
553.41968	0.8
555.42273	0.6
573.43018	1.4
591.44031	11.3
592.44495	1.0
609.45087	100.0
610.45416	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	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03954	0.8
55.01875	1.5
55.05516	11.7
57.03442	2.7
57.07080	1.6
58.05203	0.4
59.05013	0.6
59.13264	0.4
65.03950	0.9
67.05508	23.7
69.07072	9.7
71.04991	1.0
77.03925	0.7
79.05500	16.2
81.07062	21.6
83.05011	1.2
83.08630	4.6
85.06548	1.1
91.05478	15.9
93.07052	17.1
95.04977	3.6
95.08611	15.9
97.06543	1.5
97.10197	2.9
105.04548	1.4
105.07036	16.9
105.07733	0.7
107.08602	10.1
107.53770	0.5
109.06552	0.7
109.10164	7.2
111.08118	1.0
115.05469	1.6
117.07035	9.8
117.07801	0.8
119.08593	11.9
121.10146	7.0
123.11745	2.0
125.09651	1.3
128.06210	2.8
129.07008	9.5
130.07806	0.8
131.08577	12.6
133.10141	8.0
135.08116	0.6
135.11681	4.1
137.09605	0.5
137.13284	0.8
139.11182	0.5
139.69720	0.5
141.06995	4.9
142.07825	2.8
143.08574	10.4
144.09319	0.5
145.10138	12.9
147.11703	5.5
147.60880	0.5
149.09714	0.9
149.13300	1.4
151.11208	0.6
153.07027	1.1
154.07770	1.5
155.08548	9.3
156.09369	1.9
157.10138	10.0
158.10957	0.6
159.11708	8.2
161.13246	3.6
163.11349	0.7
165.07007	1.3
166.07860	0.7
167.08588	3.8
168.09373	1.8
169.10132	11.9
169.11450	0.9
170.10921	0.6
171.11700	9.8
173.13287	4.4
175.14888	1.6
178.07755	0.5
179.08565	2.3
180.09399	0.8
181.10127	5.9
182.10922	1.4
183.11705	9.8
185.13264	6.1
187.11250	0.5
187.14854	3.5
189.16370	0.9
191.08647	0.5
193.10181	1.4
195.11713	6.1
196.12485	0.7
197.13246	8.8
199.14832	4.8
201.16451	1.6
207.11765	1.5
209.13255	5.8
210.13931	0.7
211.14810	4.9
213.16444	2.5
214.21286	0.5
215.18092	1.1
219.11719	0.7
221.13359	1.8
222.28976	0.5
223.14810	4.0
225.16377	3.5
227.18001	1.7
231.11723	0.6
233.13301	1.2
235.14883	1.7
235.17064	0.6
235.20457	0.5
237.16510	1.7
239.18033	1.7
241.19557	1.4
247.14986	0.7
249.16374	1.3
251.18013	1.4
253.19760	1.2
257.19061	1.7
259.20502	0.5
263.17828	0.7
265.19589	0.8
267.21005	0.5
273.42172	0.5
275.20148	2.1
277.19473	0.6
279.21149	0.8
295.24121	0.5
297.18701	0.7
297.22104	0.9
307.20596	0.7
309.22238	0.6
311.23743	0.7
323.23575	1.0
325.25320	0.5
335.23810	0.7
337.21442	0.8
337.25290	1.4
339.27045	0.6
341.24832	0.5
349.25204	0.9
351.26749	1.3
363.26813	0.9
365.28421	1.4
369.28082	0.5
377.28616	0.8
391.29730	0.7
393.31870	0.7
403.29279	0.6
407.29520	0.8
421.31403	0.6
447.32336	1.5
475.35281	0.7
517.40326	8.3
527.37689	0.8
535.41711	3.9
539.37225	1.5
540.38373	0.6
541.39166	0.6
549.24945	1.1
553.42603	0.7
573.42963	1.1
591.44055	8.9
609.28064	2.7
609.45160	100.0
610.45306	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03952	0.7
55.01864	1.2
55.05512	14.1
55.21331	0.6
57.03429	4.1
57.07069	2.0
61.21494	0.8
65.03940	0.9
67.05504	23.9
69.07070	12.9
71.04990	2.0
71.08631	1.2
77.03893	0.7
79.05493	15.0
81.07058	24.1
82.07407	1.1
83.04990	1.3
83.08622	8.3
85.06533	1.2
85.60458	0.7
91.05459	14.0
93.07044	16.4
95.04971	3.0
95.08606	17.8
95.09213	1.0
97.06532	2.6
97.10162	2.8
98.98476	1.7
105.04559	1.0
105.07030	12.8
107.08600	10.6
109.06527	0.9
109.10168	7.4
111.08100	1.2
115.05450	0.9
117.07025	9.1
119.08576	11.9
121.06455	0.7
121.10149	8.0
123.08096	1.6
123.11720	1.9
125.09637	1.6
128.06212	2.2
129.07013	8.9
129.64105	0.6
130.07811	0.9
131.08566	13.9
131.09468	1.2
133.10123	8.4
135.11694	4.0
137.13303	1.1
141.06993	5.2
142.07787	2.2
143.08565	13.3
145.10129	12.2
147.11676	6.0
149.13289	1.7
153.06995	1.4
154.07808	1.2
155.08546	12.2
156.09346	1.1
157.10144	13.3
159.11707	8.5
161.13248	2.2
163.14825	1.2
165.07014	1.2
167.08549	5.6
168.09421	2.0
169.10121	13.5
170.10927	1.1
171.11693	10.5
173.13248	5.5
175.14899	1.2
179.08543	1.8
181.10133	7.2
182.10902	1.6
183.11693	13.6
185.13255	7.4
187.14723	3.9
189.16489	0.7
193.10187	2.6
194.10796	0.9
195.11700	8.9
196.12323	1.0
197.13269	9.3
199.14809	5.5
201.16454	2.2
203.18098	1.2
205.10153	1.0
207.11549	3.5
209.13248	6.5
211.14832	7.0
213.16464	3.7
219.11610	0.9
221.13330	2.5
222.13889	0.8
223.14746	4.7
225.16438	4.4
227.18001	2.8
233.13329	1.2
235.14751	1.6
237.16440	3.1
239.18004	3.5
241.19633	1.5
249.16371	1.4
251.18028	1.8
253.19623	2.2
263.17899	1.6
265.19586	1.3
269.18842	1.1
279.21194	1.3
281.22641	0.9
283.20709	0.9
299.06274	0.9
304.35669	0.7
307.20505	1.4
311.23767	0.8
313.25308	0.8
321.22015	0.9
323.23718	0.9
325.21588	1.2
325.25272	0.8
327.23108	0.9
337.25269	1.0
349.24997	1.0
351.26913	1.1
353.24576	0.9
355.07031	1.7
363.26846	0.9
365.28445	1.8
375.26569	1.0
379.30106	1.1
389.28503	0.8
393.31757	1.1
417.31680	1.1
435.32098	0.9
437.34094	1.7
447.32239	0.9
499.39316	1.3
501.36093	0.9
511.37967	5.8
517.40485	11.9
529.39032	1.2
535.41284	4.8
536.42316	0.9
539.37280	1.5
555.42096	1.4
573.43024	2.2
591.43951	12.6
592.44629	1.2
609.36023	5.5
609.45062	100.0
610.36023	1.0
610.45337	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	610.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01871	2.5
55.05513	2.1
57.03432	1.5
61.02910	1.2
61.23707	0.9
66.06390	0.8
67.05502	4.9
68.74744	0.8
68.99799	0.8
69.03425	5.8
69.07066	9.8
69.34513	4.1
71.04996	6.8
72.50844	0.8
73.06532	1.9
77.03927	1.0
79.05485	11.5
81.03417	2.3
81.07050	8.0
83.04983	17.8
85.02906	14.3
85.06548	1.3
91.05437	9.1
93.07043	15.8
95.04962	7.2
95.08633	4.8
97.02892	3.9
97.06530	17.3
99.04442	5.3
105.07034	32.3
107.04948	11.1
107.08589	16.9
108.59202	1.0
109.06514	6.7
111.04486	1.1
117.07041	5.1
119.04923	2.7
119.08569	7.1
121.06507	15.8
121.10145	2.6
123.08076	1.2
125.05991	31.7
127.03928	3.1
129.05498	2.6
129.06953	1.6
130.07768	2.4
131.08565	6.9
133.06493	5.6
133.10139	2.5
135.04420	1.9
135.08034	3.9
135.11699	4.8
137.05957	3.0
139.05777	0.9
139.07597	4.4
143.07031	34.7
143.08536	3.0
144.09390	1.2
145.04922	2.7
145.06471	3.4
145.10129	47.2
146.10439	1.1
147.08057	2.2
147.11682	6.3
149.06003	1.2
151.07550	7.0
153.01817	1.1
154.07753	1.7
155.07213	1.1
155.08586	2.1
157.08588	1.1
158.07269	3.7
159.08083	3.6
159.11682	13.2
161.09555	1.6
161.13245	1.3
163.11177	100.0
164.11470	1.2
165.01834	1.0
169.10172	5.8
171.11708	1.6
172.08791	1.4
173.09615	36.1
175.07553	1.6
176.86232	0.9
177.12784	4.3
179.08601	1.3
179.96295	0.9
181.12254	2.6
187.11188	27.8
187.12891	1.4
189.09149	0.9
189.12726	3.2
191.10664	21.8
197.09674	4.4
205.12254	27.2
206.12534	1.0
209.11687	5.3
215.10684	27.6
223.13246	2.2
227.12738	2.3
233.11720	83.6
234.12120	1.3
251.12767	43.9
252.13046	1.0
257.04361	1.1
269.10901	1.6
269.13828	33.0
283.03387	0.9
303.04980	41.8
355.06863	1.2
377.16229	1.4
395.16959	2.0
413.17746	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	610.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46127	1.5
54.12505	1.7
55.01863	5.1
55.05502	2.6
57.03423	2.2
64.50828	1.6
67.05508	8.1
69.03433	9.4
69.07067	12.4
69.28255	8.2
71.04975	4.5
73.04758	3.7
77.03952	2.2
79.05495	15.3
81.03417	3.8
81.07050	13.4
83.04976	34.0
85.02905	10.5
85.06542	6.0
91.05413	9.8
93.07042	24.9
95.04967	13.7
95.08597	5.2
97.02901	4.7
97.06525	33.1
99.04454	8.4
105.07029	40.5
107.04957	12.1
107.08592	20.8
109.02934	2.3
109.06515	21.9
111.04429	1.9
111.08080	4.0
113.06022	2.1
117.07030	8.6
119.04926	13.2
119.08567	8.9
121.06505	29.1
121.10140	2.4
123.08062	2.3
125.05987	52.8
127.03919	3.7
127.07555	8.3
129.07022	3.9
130.07768	3.1
131.08574	12.7
133.06462	5.1
133.10132	6.4
135.08051	3.2
135.11696	4.9
137.05983	6.0
139.07541	14.2
141.06854	1.6
143.05960	2.6
143.07037	45.3
143.08585	4.8
144.09337	3.7
145.04958	2.7
145.06502	6.7
145.10123	72.4
147.08025	3.6
147.11678	7.4
151.07526	7.4
154.07793	4.2
155.08466	3.4
155.22281	1.8
157.08638	15.5
157.09972	2.7
158.07289	5.1
159.08049	5.5
159.11691	30.3
161.09570	3.8
161.13239	4.0
163.11177	84.1
164.11533	1.6
169.10168	8.4
171.11693	1.9
172.08832	2.5
173.09604	38.9
174.09959	1.9
177.12695	10.7
179.08546	2.9
182.07330	1.7
187.11172	49.5
189.12727	2.4
191.10640	25.5
197.09627	13.1
205.12245	61.0
207.13823	2.3
207.18459	1.6
209.11685	5.6
215.10670	64.5
215.65672	1.5
223.13278	11.5
233.11719	100.0
239.09372	2.2
251.12775	93.7
252.13110	1.5
258.44644	1.9
269.13834	84.3
270.14383	2.9
287.05493	7.2
299.06049	2.5
303.04910	2.6
355.06821	4.0
395.17081	2.2
413.18600	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	610.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.7
55.05515	30.7
57.03437	11.8
61.12140	3.6
67.05507	51.2
69.03432	11.7
69.07066	35.4
69.08493	14.8
69.08891	7.2
71.16637	3.6
73.04762	9.4
79.05499	54.5
81.01498	3.2
81.03426	36.0
81.07059	51.0
83.04996	13.7
83.08615	24.9
85.02922	11.2
91.05401	29.4
93.07050	40.7
95.04987	28.1
95.08621	29.2
97.02902	9.8
97.06546	10.9
97.10175	15.6
103.05449	3.3
105.07020	37.4
107.04964	14.3
107.08595	35.1
109.06501	5.9
109.10168	14.0
111.08083	7.4
117.07010	12.7
119.08585	29.0
121.06523	6.3
121.10143	12.5
123.08030	4.0
125.09622	10.7
129.07037	12.2
131.08571	15.2
133.10153	17.3
135.08102	3.5
135.11694	22.7
143.08617	4.2
145.10112	26.4
147.08125	5.5
147.11720	9.7
149.09628	7.0
157.10150	11.7
159.11610	6.2
163.11137	26.5
167.05516	5.7
175.11227	5.2
193.12257	26.9
211.13319	43.2
223.13251	13.3
227.12766	42.5
239.09505	6.5
249.14636	5.3
255.15854	5.0
267.15952	16.4
269.17490	15.1
273.18430	15.4
275.19992	8.6
283.15366	26.9
285.00870	6.2
285.17010	41.9
291.19547	100.0
299.06290	5.4
349.23685	11.2
355.07007	18.4
365.23163	29.8
393.88397	3.6
425.28149	3.9
463.27032	9.2
477.28253	25.2
557.34796	21.1
575.35675	37.4
611.29999	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49392	0.4
56.38027	0.3
59.41995	0.3
71.70135	0.3
72.91129	0.3
74.82355	0.3
101.41745	0.3
102.36358	0.4
136.94043	1.4
158.85799	0.3
162.95622	0.6
175.08919	0.3
268.98267	100.0
269.98590	1.7
328.99564	0.6
352.03888	0.3
381.08051	4.8
456.42804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Quercetin 3-rhamnosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
53.03945	1.0
55.01862	0.8
55.05501	0.5
57.03438	4.2
61.02919	1.6
61.81744	0.4
65.03947	0.4
67.05504	0.7
68.99789	0.5
69.03436	4.7
69.07059	0.5
69.31086	0.7
69.31498	1.2
71.04994	20.0
73.02907	1.6
75.04455	0.9
79.05483	1.1
79.41028	0.5
80.05847	0.4
81.03407	1.7
81.07047	1.1
81.54185	0.4
83.04982	1.7
85.02905	30.4
87.04451	1.4
91.05826	0.6
93.07023	0.9
95.04982	0.8
95.08609	0.5
97.02895	3.1
97.06532	0.8
98.22681	0.9
99.04447	0.8
103.04039	0.4
105.07024	1.6
107.04990	0.8
107.08575	1.3
109.02876	1.7
109.06528	0.7
111.00822	0.8
111.04465	0.7
119.04874	0.5
119.08573	0.6
121.02849	0.6
121.06505	1.6
122.06873	0.4
123.04415	0.6
125.05978	1.4
127.03945	2.2
128.04213	0.4
129.05486	5.0
129.06953	0.5
131.08542	0.5
133.06516	0.5
137.02318	1.8
137.03244	0.4
137.05956	0.8
143.07028	0.9
145.04955	1.5
145.06380	0.4
145.10146	2.3
146.10460	1.3
147.06517	0.8
147.11731	0.5
149.02316	0.5
153.01831	7.2
159.11690	0.8
163.03769	0.4
163.11180	3.1
164.11501	1.0
165.01854	1.6
167.03418	1.2
167.05524	0.5
173.09616	1.6
174.09956	0.8
181.12161	0.4
187.11182	1.3
188.11426	0.9
191.03496	0.4
191.10606	0.6
192.15140	0.4
197.09654	0.5
201.05405	1.3
205.12209	0.9
206.12567	0.6
215.10687	1.8
216.11035	1.4
229.04926	3.2
229.33858	0.4
233.11722	3.3
234.11957	2.1
247.06044	0.9
251.05652	0.4
251.12788	3.4
252.13152	2.9
257.04507	1.9
265.36798	0.4
269.13815	0.9
270.14334	0.5
274.04736	0.9
275.05319	0.5
285.03906	1.0
286.00742	0.4
287.05493	9.1
302.04294	1.0
303.04984	100.0
304.05380	3.6
317.06454	1.1
345.06024	1.6
395.17017	0.8
396.17355	0.9
414.18274	0.6
449.10684	1.2
465.10309	16.5
466.10468	0.5
529.14642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
57.03439	2.2
61.02927	0.6
68.99805	0.4
69.03445	1.3
69.17660	1.3
71.05002	10.4
71.05399	0.5
73.02922	0.4
73.04730	0.4
75.04484	0.6
81.03410	0.7
83.04983	0.5
85.02912	14.5
86.03185	0.2
87.04459	0.6
90.80260	0.2
91.03973	0.3
95.04972	0.4
97.02895	1.3
98.22866	1.0
98.23547	0.5
103.04032	0.2
105.06984	0.3
109.02886	0.9
111.00787	0.4
111.04388	0.4
121.02867	0.5
127.03918	0.6
129.05501	3.3
136.40062	0.2
137.02354	2.8
140.05907	0.3
145.04955	0.9
147.06528	0.9
148.35135	0.3
149.02419	0.4
153.01854	2.9
163.03966	0.3
165.01811	1.9
166.02676	0.4
173.05998	0.3
183.02895	0.9
183.04503	0.4
186.92279	0.3
201.05440	1.1
219.06628	0.3
229.04984	3.9
229.33611	0.3
247.05974	0.5
257.04480	2.5
274.04758	0.8
285.04041	1.1
287.05505	5.3
299.06494	0.3
303.05005	100.0
304.05405	3.2
339.56494	0.2
356.07111	0.6
358.01260	0.2
358.15460	0.2
449.10760	2.1
465.10544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1616
Annotation	quercetin 3-O-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03959	2.3
55.01875	2.1
55.05519	10.1
57.03447	7.5
61.02928	4.6
69.03439	12.3
70.69428	0.9
71.05000	21.3
71.05392	1.3
71.24301	0.9
73.02913	1.7
73.04765	1.4
75.04494	3.4
79.05508	1.3
81.03452	5.4
81.07053	1.2
83.04989	72.8
85.02916	70.0
89.90777	0.9
91.03934	1.3
93.07060	1.7
95.04992	2.0
95.08588	1.1
97.02907	15.5
97.06528	2.3
99.04485	4.7
101.06032	2.0
105.07066	2.4
107.04954	2.0
109.02914	4.3
111.04456	32.5
121.06570	1.2
123.04447	1.4
125.06052	2.5
127.03935	12.9
129.05486	24.2
137.02310	4.8
138.58348	0.9
141.02693	0.9
143.07080	2.4
145.04965	7.2
145.10147	2.2
146.10519	1.0
147.06552	3.5
147.11671	1.6
153.01872	3.5
163.06038	1.2
163.11255	1.9
164.11447	1.1
165.01941	1.4
167.03479	1.0
187.11328	1.2
201.05556	1.1
205.12219	2.2
215.10762	1.0
229.04996	3.0
233.11713	2.3
234.12062	1.7
237.07629	1.8
251.12868	1.5
253.14398	1.6
255.08792	3.6
257.04437	2.0
274.04782	1.2
287.05624	5.2
303.05020	100.0
304.05405	4.1
315.05191	2.3
345.06024	5.3
369.06049	1.1
395.07950	1.0
413.08820	1.6
431.09982	1.3
449.10959	2.4
611.23090	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	611.1613
Annotation	Rutine
Peak:m/z	Relative Intensity
50.37070	0.1
50.57952	0.1
51.31678	0.1
53.03939	0.3
55.01870	0.3
55.05482	0.2
57.03443	1.9
61.02940	0.7
68.99808	0.3
69.03436	1.4
70.51556	0.3
71.01328	0.2
71.05000	10.3
73.02908	0.5
75.04482	0.3
81.03416	0.5
83.04987	0.5
85.02915	14.8
85.86050	0.1
86.03236	0.1
87.04468	0.3
91.03970	0.2
93.03402	0.2
97.02904	1.3
97.06475	0.1
98.22990	0.2
99.04472	0.2
101.06000	0.1
102.77310	0.1
105.07085	0.2
109.02882	0.6
111.00108	0.1
111.00804	0.7
111.04440	0.4
117.06986	0.1
121.02867	0.6
123.04430	0.2
127.03919	1.0
129.05499	3.3
132.26242	0.2
137.02364	2.6
145.04977	0.7
147.06517	0.9
149.02388	0.4
153.01840	3.0
161.06000	0.3
163.03947	0.4
165.01869	1.9
166.02652	0.2
173.05916	0.4
183.02977	0.7
183.04341	0.2
187.03964	0.3
195.02968	0.3
201.05498	1.3
203.24884	0.1
205.04999	0.2
213.05453	0.2
219.06508	0.2
222.72034	0.2
229.04987	4.0
247.06056	0.6
251.12830	0.2
257.04449	2.1
274.04718	0.8
285.04041	1.5
286.04828	0.2
303.05005	100.0
304.05365	3.3
369.06027	0.2
465.10437	1.3
573.98096	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	611.1609
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03511	0.2
53.03928	0.5
57.03437	2.8
66.93886	0.2
68.99788	0.3
69.73522	0.7
71.04993	19.9
73.02896	0.2
75.04478	0.5
81.03412	0.3
83.04972	0.6
85.02905	22.4
94.72598	0.2
98.22681	0.2
109.02920	0.4
111.00781	0.8
111.04440	0.6
121.02859	0.9
129.04553	0.4
129.05478	5.7
133.92964	0.2
137.02344	2.6
141.50484	0.2
147.06516	0.9
149.02367	0.4
153.01814	2.9
155.04982	0.3
163.03865	0.3
165.01820	1.6
183.02875	0.7
187.03966	0.3
201.05479	1.2
219.06633	0.4
229.04950	3.3
247.05920	0.8
257.04425	2.3
274.04703	0.7
285.04025	1.2
287.05460	4.2
303.04977	100.0
304.05276	2.6
345.06024	0.9
379.77576	0.2
413.08591	0.3
437.41135	0.2
449.10599	0.4
465.10291	17.6
466.10419	0.6
519.25275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01870	0.3
55.05514	0.3
56.33049	0.1
57.03441	1.8
61.02917	0.5
68.99803	0.2
69.03425	1.2
69.77893	0.3
70.06602	0.8
70.32092	0.1
71.01350	0.2
71.02127	0.1
71.04998	9.8
71.71683	0.1
73.02908	0.4
73.04751	0.2
75.04465	0.5
81.03410	0.8
83.04981	0.4
85.02911	13.7
87.04474	0.3
89.01842	0.1
97.02901	1.2
98.22698	0.1
98.23250	0.4
99.04458	0.2
109.02885	0.6
111.00810	0.7
111.04431	0.4
121.02881	0.6
123.04484	0.2
127.03912	0.9
127.08654	0.3
129.05490	2.9
137.02353	2.5
145.04968	0.7
147.06517	0.8
149.02354	0.3
153.01840	2.8
159.04424	0.1
161.05974	0.3
163.03938	0.7
165.01837	1.8
166.02647	0.2
169.13387	0.3
173.05951	0.3
183.02968	0.7
183.04353	0.2
195.02856	0.2
201.05524	1.1
229.04988	3.1
247.06047	0.5
257.04422	2.1
274.04752	0.6
275.05670	0.2
285.04001	1.0
287.05536	0.6
302.03955	0.2
303.04999	100.0
304.05331	2.8
315.04825	0.3
344.18115	0.6
345.06027	0.5
449.11087	0.3
465.10217	0.6
578.69073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.46099	0.3
57.03441	0.7
57.07086	0.6
67.05501	0.7
69.03432	0.7
69.12074	2.4
73.02905	0.4
76.10923	0.3
81.03422	1.4
81.07072	1.0
85.81213	0.4
88.96690	0.4
90.78837	0.4
91.05832	0.9
93.07059	0.5
95.08652	0.5
98.22752	0.7
98.28304	0.4
107.08605	0.8
109.10188	0.7
119.08628	0.5
120.17542	0.4
123.04496	0.4
133.10306	0.4
149.02315	2.8
149.09651	0.4
203.05330	0.6
219.37993	0.5
245.07942	0.9
261.07391	2.0
275.07516	0.6
275.11081	1.7
299.12589	1.8
317.08548	1.2
317.13681	1.1
333.08356	0.5
335.09488	4.9
355.07047	0.7
356.07123	1.1
389.14224	3.3
400.60376	0.4
407.15240	5.7
423.12918	0.9
479.18982	2.3
555.16779	0.8
610.32892	1.0
611.23090	100.0
612.23566	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
53.93192	0.5
55.01863	1.0
55.05257	0.7
55.05514	12.3
57.03191	0.5
57.03426	2.7
57.07082	3.6
59.43200	0.5
59.53893	0.5
65.03936	1.0
67.05505	23.1
69.07070	10.8
70.82825	0.7
71.05005	0.5
71.08636	1.6
77.03926	0.9
79.05498	15.1
81.07059	22.1
81.28824	0.4
83.04977	0.9
83.08630	5.7
85.06564	1.2
91.05477	14.0
91.37310	0.4
93.07049	15.9
94.78130	0.5
95.04985	2.2
95.08608	19.2
97.06553	1.8
97.10156	3.1
97.90758	0.5
98.55643	0.5
99.08112	0.9
103.05463	0.6
105.04551	0.8
105.07032	16.2
105.07738	0.9
107.08598	10.1
109.06557	0.6
109.10156	7.6
111.08100	1.4
111.11752	0.5
115.05457	1.5
117.07018	9.3
119.08581	12.3
121.10156	6.4
123.08064	0.9
123.11739	1.9
125.09688	1.4
127.95438	0.5
128.06241	1.7
129.07001	8.5
130.07803	0.9
131.08574	15.9
133.10141	8.1
135.11703	4.3
139.11147	0.6
141.07033	2.5
142.07793	1.7
143.08565	11.9
144.09335	1.0
145.10130	12.4
147.11688	4.7
149.13304	2.1
155.08551	6.3
156.09354	0.7
157.10146	9.7
159.11713	8.0
161.13264	2.3
163.14871	1.6
165.16402	1.0
167.08620	1.4
169.10127	7.1
171.11690	8.5
173.13289	5.0
175.14854	2.1
177.12701	0.6
177.16418	0.9
179.08490	1.1
179.14349	0.7
181.10092	3.1
183.11700	5.7
185.13266	5.5
187.14838	3.7
189.16411	1.5
191.17952	0.9
193.10161	0.7
195.11678	3.0
197.13274	5.3
199.13248	0.8
199.14824	4.0
201.16455	2.1
202.34746	0.5
203.18007	0.8
205.19627	0.5
207.11714	1.1
209.13242	2.8
211.14795	3.5
213.16446	3.1
215.18022	1.9
219.17570	0.5
221.13327	1.1
223.14818	1.4
225.16370	2.4
227.18051	2.0
229.19603	1.8
237.16451	1.4
239.18044	1.0
241.19612	1.6
243.21104	0.8
249.16426	0.7
251.17780	1.0
253.19604	1.6
255.21138	1.0
255.32182	0.6
257.19064	0.5
259.20767	0.8
265.19528	1.0
267.21194	1.6
269.22824	0.7
275.20239	1.3
277.21667	0.8
297.22137	1.4
311.23657	0.7
312.98889	0.5
315.23386	0.5
325.25436	0.7
339.26843	0.9
341.24637	0.6
353.28629	1.8
367.30109	0.8
409.31006	0.7
421.30063	0.7
431.33139	0.8
435.31961	0.8
449.34222	1.1
463.36145	0.7
501.41547	1.2
519.42035	7.5
520.42761	0.6
537.43036	5.1
541.38745	1.3
555.41565	0.5
575.44470	1.3
593.45728	9.7
594.46021	0.9
611.46710	100.0
612.47089	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18613	0.5
53.03955	0.8
53.59837	0.5
55.01856	1.1
55.05508	13.1
57.03440	3.3
57.07079	2.5
59.04996	0.6
63.22628	0.5
65.03950	1.9
67.05504	32.6
69.07067	12.8
70.85400	0.7
70.85735	0.7
71.04997	1.7
71.08636	1.1
73.04760	0.7
77.03930	1.1
79.05490	24.8
81.07055	31.8
83.04986	1.6
83.08616	6.9
85.06537	0.6
91.05472	23.1
93.07042	28.6
95.04960	2.9
95.08605	27.3
97.06522	1.8
97.10165	3.8
99.08099	1.1
103.05437	0.5
105.04523	0.8
105.07023	24.5
107.08587	15.4
109.06520	1.2
109.10146	12.3
111.08077	1.5
111.11765	0.7
112.68899	0.5
115.05491	0.9
117.07015	9.2
119.08580	20.4
121.10140	14.2
123.08106	1.0
123.11710	3.4
125.09673	0.9
128.06229	1.4
129.06984	5.7
131.08563	16.8
133.10124	16.6
135.08118	0.8
135.11696	10.4
137.09663	0.9
137.13249	1.2
139.93752	0.5
141.06985	1.3
142.07799	1.1
143.08575	8.8
144.09375	0.8
145.10109	16.0
145.11201	1.0
147.11679	15.4
149.09650	0.8
149.13229	6.4
155.08559	3.3
156.09425	0.7
157.10121	9.4
159.11688	14.2
159.12929	1.0
161.09694	0.5
161.13252	10.9
163.11221	0.7
163.14832	2.5
167.05574	0.8
167.08585	0.9
168.09341	0.7
169.10106	5.0
171.11681	9.8
173.13257	10.4
175.14819	5.1
177.12854	0.5
177.16368	0.9
181.10161	1.9
183.11688	4.8
184.12402	0.5
185.13255	6.8
187.14818	6.1
189.12773	0.8
189.16519	1.2
195.11772	1.5
197.13243	4.1
199.13237	0.9
199.14832	5.4
201.16414	1.8
203.14467	0.6
203.17915	1.1
209.13248	1.2
211.14867	2.3
212.15297	0.5
213.16364	3.5
215.17989	1.6
221.13303	1.2
223.14865	1.5
225.16447	1.8
227.18004	1.9
229.19482	1.1
231.17566	0.7
231.21130	2.4
235.14839	0.8
237.16339	0.9
239.17931	2.2
241.19598	8.1
243.21161	1.2
253.19795	0.7
257.18964	3.7
257.22906	0.6
259.20575	18.2
260.20905	0.6
261.22098	3.6
271.20624	0.6
273.22125	0.9
275.20132	1.3
277.21774	1.1
285.22049	1.0
297.22067	1.1
299.23782	0.8
301.21890	0.7
311.23627	1.2
313.25275	1.0
315.23276	1.2
315.26654	0.7
325.25470	1.1
331.22586	1.1
333.24197	11.6
335.25778	16.4
336.26413	0.7
337.27527	1.8
339.26895	1.1
351.26328	0.6
353.28387	1.2
356.07111	0.9
381.31625	1.2
393.32190	0.6
449.34048	1.2
487.34729	0.6
489.35651	0.8
501.41135	1.1
503.37817	0.8
515.37897	0.9
519.41992	5.6
527.37543	0.8
529.39233	0.8
537.43152	2.7
541.38812	1.3
542.39313	0.9
575.44800	0.7
593.45605	8.8
594.46466	0.8
611.46686	100.0
612.46979	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15972	1.6
55.01864	1.6
55.05511	11.6
55.16152	1.2
57.03437	3.3
57.07072	3.4
59.68854	1.3
65.03938	1.4
67.05505	22.8
69.07069	14.3
71.04996	1.5
71.08637	2.4
79.05500	14.7
81.07058	23.0
83.08611	8.2
85.06602	1.7
91.05424	9.9
93.07047	15.4
95.04943	3.2
95.08606	19.5
97.06522	1.7
97.10178	3.3
98.22604	3.2
103.37754	1.3
105.07048	13.0
107.08605	9.5
109.10168	8.1
116.16227	1.3
117.07030	6.1
119.08573	11.8
121.10179	8.0
128.06215	1.9
129.07021	6.5
131.08575	12.8
133.10126	8.8
135.11732	3.6
141.07042	1.8
143.08549	11.1
145.10123	14.5
147.11697	5.0
149.13243	3.3
155.08531	6.8
157.10144	12.3
159.11687	9.1
161.13277	2.4
163.14835	1.6
167.08568	2.1
169.10097	7.9
171.11676	8.7
173.13287	6.9
175.14845	2.8
181.10161	3.6
183.11659	7.4
185.13329	6.7
187.14861	1.6
189.16408	2.8
195.11743	4.9
197.13304	3.8
199.14902	5.0
201.16435	3.8
209.13332	2.8
211.14838	4.8
213.16460	3.0
214.45778	1.4
215.18117	2.2
217.19737	1.5
221.13387	2.2
223.14581	1.6
225.16417	3.3
226.96472	1.5
227.18114	2.3
229.19424	1.4
235.14774	1.8
237.16280	1.9
239.18027	1.6
253.19774	1.4
255.21236	1.7
297.22226	2.4
307.07202	1.5
353.24432	1.6
353.28476	2.9
367.29941	2.5
393.32175	1.4
456.78525	1.4
510.20926	1.5
513.34760	1.3
519.42297	9.2
537.43024	5.8
593.45703	9.9
611.46667	100.0
612.46851	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	612.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01865	12.8
55.05515	36.4
57.03446	15.5
57.07065	3.0
65.03925	4.9
67.05502	80.4
69.03431	6.7
69.07071	45.4
69.78013	2.7
70.06562	2.9
71.04984	9.9
73.04752	5.1
77.14654	2.5
78.25793	2.8
79.05493	71.7
81.02961	4.8
81.03416	58.9
81.07058	100.0
83.04968	24.2
83.08623	38.7
85.02909	24.1
85.06534	3.5
88.32397	2.9
91.05460	76.4
93.07041	63.8
95.04968	41.9
95.08607	36.3
97.06527	23.3
97.10166	14.3
99.08066	4.9
102.09181	5.9
105.04478	3.7
105.06351	4.3
105.07028	61.1
107.00335	3.0
107.04955	16.6
107.08591	37.3
109.06504	10.3
109.10143	13.3
111.04428	2.9
111.08095	14.6
112.92411	2.8
113.60542	2.9
115.05466	4.4
117.07002	19.5
117.10961	2.8
119.08591	49.5
121.06508	4.5
121.10149	23.2
123.08077	8.0
123.11713	4.8
125.09620	6.7
129.06995	17.6
131.08565	31.3
133.06487	4.9
133.10106	37.2
135.08037	6.1
135.11694	13.2
137.09616	5.2
139.11215	2.9
141.07008	4.7
145.10109	15.5
146.60052	2.9
147.04372	4.4
147.08061	3.8
147.11697	21.1
149.09634	25.5
149.13248	9.1
151.11198	4.4
154.23026	2.7
157.10144	20.5
159.11688	12.6
161.13280	4.2
163.11159	14.9
173.13263	7.3
175.11159	12.0
177.12767	5.2
179.14340	4.6
181.12274	3.6
183.11617	4.0
189.11183	4.0
191.07014	9.8
193.12236	52.5
195.13744	5.8
211.13280	73.3
223.75563	3.0
227.12801	13.7
239.17828	6.1
255.15863	13.0
256.26346	8.1
257.18976	10.1
267.15906	28.8
269.17523	22.1
275.20068	48.1
276.20752	3.2
285.16968	54.6
293.20847	3.5
324.45386	3.0
349.23727	36.1
357.06458	3.6
383.11234	8.2
405.33344	3.3
447.27332	5.1
461.29211	14.6
461.34921	3.0
465.28561	16.0
479.30026	75.7
496.32507	3.6
541.35217	8.4
559.36261	19.6
577.37122	3.7
612.35529	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01873	12.2
55.05517	32.7
56.44666	2.7
57.03444	23.5
57.07068	3.3
64.16255	2.4
64.74540	2.1
65.03938	3.6
67.05507	88.3
69.03429	7.9
69.07077	35.9
71.04993	5.9
73.02942	2.4
73.04733	3.0
79.05501	73.0
81.03422	70.9
81.07061	100.0
82.35130	2.4
83.04993	24.3
83.08623	32.0
85.02898	17.9
85.06533	3.7
91.05466	77.4
93.07050	66.6
95.04963	37.1
95.08604	41.7
97.02889	4.3
97.06537	15.3
97.10176	6.2
99.08125	5.3
103.05486	3.0
105.04506	3.7
105.07037	59.0
107.04968	18.4
107.08603	32.2
109.06519	11.7
109.10152	13.8
111.08089	10.5
115.05462	4.1
117.07018	15.5
119.08585	40.0
121.06506	5.6
121.10145	21.3
123.08090	6.0
123.11713	6.1
125.09690	3.5
128.75003	2.5
129.07001	19.0
131.08569	31.3
133.06535	2.4
133.10147	33.5
135.08083	4.3
135.11693	15.5
137.09601	3.9
139.83287	2.9
142.07808	4.6
143.08577	3.4
145.10150	18.2
147.08075	5.1
147.11713	21.8
149.09618	15.0
149.13257	13.0
157.10118	17.7
159.11722	12.6
163.11211	12.9
165.12775	4.0
173.13300	7.1
175.11162	16.2
177.12819	4.2
185.13278	3.1
193.12245	46.5
195.13852	8.7
211.13290	84.5
227.12827	3.2
239.17882	3.3
255.15810	19.0
257.19055	9.9
267.15970	26.6
269.17511	31.2
275.20059	28.0
285.16995	66.6
293.21289	2.9
296.30212	2.6
298.43832	2.6
349.23697	19.3
357.06888	4.9
367.24911	6.7
447.27466	9.1
450.29361	3.4
461.29004	19.9
465.28610	18.8
479.30014	69.6
480.30374	3.3
559.36169	10.3
577.37585	3.2
614.20264	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.9
57.03432	14.2
58.25975	3.1
67.05506	68.0
69.07071	20.5
70.68408	6.1
70.68740	3.5
71.04984	31.5
73.06985	3.4
79.05499	52.0
81.07059	99.8
83.04966	3.4
83.08618	10.6
85.06535	6.2
91.05468	64.2
93.07045	53.5
95.04971	7.3
95.08612	29.7
97.06529	6.1
97.10188	3.9
97.33472	3.5
105.04562	3.3
105.07035	57.7
107.08594	32.0
109.06540	4.3
109.10162	12.0
111.08055	4.3
117.07024	17.6
119.08576	39.9
121.06588	3.2
121.10151	18.7
123.11698	19.2
125.09657	6.3
129.06989	14.0
131.08577	24.3
133.10133	43.3
135.11708	14.2
143.08507	9.7
145.10135	17.2
147.11661	22.7
149.13277	8.0
151.11134	10.3
157.10103	7.7
159.11688	21.2
161.13252	15.1
171.11688	9.0
173.13200	6.6
173.40425	3.4
175.14786	6.8
185.13290	4.9
187.13316	5.6
195.11636	3.5
195.13791	4.9
199.14816	5.8
231.21005	6.3
241.19519	10.8
243.15858	6.4
257.17352	5.7
259.20618	26.0
269.17477	4.4
277.21768	4.6
301.20087	32.9
315.23135	13.9
333.24164	42.1
409.30914	10.1
483.34570	7.3
501.35757	100.0
502.35931	5.4
527.37311	40.9
533.38397	5.6
545.38361	5.7
559.40094	21.0
613.26465	10.4
613.36859	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
53.30424	3.3
55.05506	23.4
57.03426	16.4
57.07069	6.0
65.41301	3.2
66.54574	3.3
67.05215	4.3
67.05511	53.5
69.07068	13.8
69.48614	18.5
71.04967	3.7
73.04765	4.2
79.05493	47.4
81.02971	4.6
81.03419	75.3
81.07055	63.8
83.04974	4.5
83.08609	16.8
85.06536	3.7
86.11217	3.4
91.05470	31.3
93.07043	51.4
94.05708	3.3
95.04958	24.6
95.08611	45.2
97.10168	9.3
105.07036	34.8
107.04944	8.1
107.08599	26.8
109.10152	22.7
111.08079	7.1
115.10106	3.5
115.33231	4.0
117.07030	12.9
119.08588	29.6
121.10149	30.5
123.11732	9.2
129.06987	10.9
131.08542	25.9
133.10149	12.3
135.11684	12.3
137.09618	3.8
143.08560	6.5
145.10110	10.7
147.11685	16.8
149.13327	6.8
157.10083	14.1
159.11650	9.4
161.13237	7.1
169.69777	4.3
171.11685	4.9
173.13315	4.2
175.11150	8.1
177.16461	4.1
185.13243	8.9
187.14832	8.1
189.11256	6.1
193.12210	21.6
227.12831	7.0
243.21049	6.6
261.22202	17.9
267.13123	6.1
267.15900	100.0
301.25378	5.7
317.24759	4.4
335.25775	73.1
357.06778	5.6
400.08829	3.8
435.32867	4.4
527.37366	52.2
528.89923	4.0
545.38324	25.3
612.47162	42.2
631.96954	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	612.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	27.8
55.16785	5.0
57.03431	10.7
57.07084	6.5
67.05502	82.8
69.07066	16.0
71.04990	40.8
71.08643	39.0
73.04738	5.3
79.05496	55.5
81.07054	100.0
83.04987	15.1
83.08595	10.8
85.06573	5.1
87.04475	6.4
90.19830	5.3
91.05473	58.2
93.07040	64.2
95.04939	11.7
95.08619	48.1
97.06541	14.4
99.08078	12.3
105.07026	37.5
107.04939	8.7
107.08578	40.7
109.06506	5.6
109.10154	10.3
111.39441	4.6
117.07030	13.6
119.08588	19.9
121.10113	28.7
121.98917	5.1
123.11705	10.3
131.08586	15.4
133.10132	29.2
135.11703	26.3
145.10124	6.9
147.11688	8.4
149.13203	7.8
151.11198	20.1
159.11717	11.3
161.13231	10.1
177.12698	6.1
179.14320	63.0
183.13864	5.9
187.13287	5.7
195.02269	5.0
257.17392	6.4
269.17517	14.8
277.21606	60.1
301.20126	42.3
351.25238	23.5
519.36884	53.5
526.82751	5.3
533.38275	18.9
545.38452	74.5
577.41016	74.0
578.41510	7.0
612.46747	6.3
613.36938	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	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.05510	20.1
57.03439	31.0
59.95251	3.7
65.03938	4.0
67.05505	75.2
68.05840	4.5
69.07044	17.5
69.87894	15.2
79.05495	62.5
81.02956	7.5
81.03410	100.0
81.07048	74.8
82.07386	5.3
83.04972	11.3
83.08629	26.7
91.05458	43.2
93.07035	64.2
95.04966	40.5
95.08601	57.1
97.06481	5.6
97.10155	11.3
99.08084	4.4
105.04504	5.0
105.07015	36.4
107.04903	8.0
107.08583	34.2
109.06524	4.7
109.10136	12.3
111.08070	10.2
117.07040	9.3
117.22851	4.0
119.08566	36.5
121.10151	29.7
123.11721	6.7
129.06969	13.0
131.08537	29.3
133.10107	12.3
135.11681	12.6
145.10092	15.2
147.11623	11.0
149.09624	4.4
149.13176	4.7
157.10135	7.4
159.11670	8.1
161.13321	7.3
173.13206	6.1
175.11185	9.8
187.14803	5.4
193.12209	20.1
211.05405	4.6
227.12798	4.6
243.21039	4.6
261.22134	17.2
267.15887	86.1
335.25760	71.3
477.36908	4.9
527.37390	45.2
545.38177	17.4
559.39069	6.1
612.46777	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	2.2
55.05511	18.9
57.03439	5.2
57.07076	5.9
65.03934	2.2
67.05502	39.6
69.07067	18.6
71.04997	2.3
71.08640	4.3
77.03915	0.8
79.05489	23.4
80.05863	0.8
81.03424	0.8
81.07054	40.5
83.04986	1.4
83.08615	11.3
84.34911	0.7
85.06548	2.1
85.10202	1.0
91.05477	21.3
93.07043	23.1
93.65609	0.7
95.04971	3.4
95.08606	28.7
96.08944	1.0
97.06541	2.7
97.10166	6.4
99.08110	2.1
105.04543	1.3
105.07029	26.4
107.08587	14.4
109.06516	1.4
109.10162	10.8
111.08092	1.4
111.11742	0.8
113.09706	0.6
115.05454	0.9
117.07014	11.5
119.08580	29.2
121.10140	8.3
123.08099	1.7
123.11713	4.3
125.09660	1.5
127.07580	0.9
128.06235	1.5
129.06993	8.1
131.08574	26.5
132.08900	0.9
133.10132	11.8
135.11694	6.6
137.13289	1.7
141.07037	2.8
142.07840	0.9
143.08562	13.2
144.09306	0.9
145.10127	26.8
147.11684	9.6
149.09714	0.8
149.13298	3.6
151.11224	1.1
155.08574	7.3
157.10121	10.5
159.11708	8.9
161.13254	8.2
163.14789	2.3
165.12820	0.8
167.08611	1.7
169.10168	5.3
171.11694	7.3
173.13252	6.8
175.14851	6.6
179.14372	1.6
181.10101	3.4
183.11632	4.8
184.12198	0.7
185.13261	6.1
187.14835	7.9
189.16414	2.9
193.10158	0.8
193.19652	0.7
195.11722	2.8
197.13257	4.3
199.14828	5.6
201.16383	6.4
203.17915	1.7
209.13312	2.4
211.14886	3.0
213.16444	4.3
215.14459	0.9
215.17900	3.8
217.19540	1.6
221.13490	1.0
223.14841	1.7
225.16417	2.3
227.18176	3.3
229.19505	1.5
231.21198	1.7
237.16425	2.0
239.17906	1.7
241.19565	1.7
243.21181	1.3
245.22578	0.8
247.20844	0.7
249.18552	0.7
251.17995	1.1
253.19763	1.1
255.21269	1.4
257.22748	1.8
259.24234	0.8
261.22147	1.2
267.21207	0.9
269.22687	1.1
271.20941	1.0
271.24304	1.1
273.21927	0.7
277.21683	1.4
281.22620	1.2
283.24017	0.9
285.22110	1.0
299.23724	0.9
325.25198	1.0
327.26767	1.4
341.24805	0.9
369.31573	1.1
383.33340	1.1
483.34732	0.8
503.42523	1.5
515.36938	1.2
521.43707	8.1
539.44653	4.1
577.46356	1.1
595.47272	7.2
613.48224	100.0
614.48517	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02376	0.6
55.01889	0.3
62.30974	0.2
68.99775	0.3
69.03426	0.6
69.46229	0.6
69.46621	0.4
71.05058	0.2
71.93459	0.2
72.61640	0.2
76.23473	0.2
79.01861	4.7
85.02916	1.1
95.59094	0.2
97.02895	0.7
97.99352	0.3
98.22906	0.9
99.04428	0.3
107.01338	0.8
107.04947	0.2
109.02901	0.3
119.04944	0.5
125.02348	2.7
131.04915	0.3
133.02817	0.3
143.03397	6.1
143.05112	0.3
147.04408	0.7
150.03203	0.4
151.03918	0.4
153.01836	100.0
153.02893	4.8
154.02168	1.0
159.04436	0.9
162.03116	1.0
163.03925	0.9
175.03885	0.8
176.04689	0.4
177.01846	0.8
177.05464	0.9
179.03407	0.7
180.00578	0.4
180.07260	0.2
181.04968	2.2
187.03885	0.6
190.02629	0.8
191.03398	7.9
192.04076	0.3
193.04926	0.6
195.02963	1.5
197.04485	0.8
204.04184	0.5
205.04987	4.0
207.02924	0.2
207.06564	0.7
208.03519	0.3
209.04462	4.9
209.06334	0.5
211.02435	0.3
213.03954	2.4
215.03412	0.5
216.04213	0.4
217.05125	0.3
218.02036	0.4
219.02994	0.3
219.06557	1.1
221.04494	1.5
223.06021	1.7
225.03882	0.3
229.04820	0.2
232.03586	0.4
233.04443	5.3
235.06058	0.7
237.04013	0.4
241.07080	0.8
243.02888	0.7
247.06038	2.3
251.05507	18.0
255.05034	0.9
257.04541	0.5
260.03198	0.9
263.05496	2.2
269.06583	0.4
275.05508	7.1
281.06610	0.7
293.03287	0.4
293.06577	6.8
311.07639	2.8
329.08646	0.8
445.07809	0.5
463.08847	1.0
478.31339	0.3
481.09814	10.5
481.16818	0.5
579.13165	1.9
597.14252	0.5
598.45990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64783	4.0
53.03939	4.2
55.01875	5.6
55.05510	32.2
57.03440	20.0
57.07070	9.1
58.46185	3.1
60.22016	3.1
65.03947	3.5
67.05159	5.4
67.05506	83.7
69.03443	4.5
69.07069	28.3
70.06582	9.7
70.50760	7.6
71.05001	9.8
71.08644	15.6
73.81156	3.2
79.05483	57.8
81.03421	61.6
81.07059	91.2
83.04980	25.2
83.08623	36.2
85.02917	23.2
85.06528	4.2
85.30485	3.1
88.07615	9.5
91.05483	70.5
93.07044	69.1
95.04959	37.2
95.08591	34.5
97.06515	12.4
97.10153	9.4
99.08080	9.2
102.09187	9.0
105.04525	5.5
105.07040	42.6
107.04964	11.5
107.08594	35.8
109.06519	10.9
109.10136	13.9
110.10693	2.9
111.04433	3.9
111.08092	15.8
117.07008	12.0
119.08581	28.4
121.10170	22.4
123.08057	5.0
123.11640	5.2
125.09618	4.2
129.07010	14.3
131.08563	19.9
133.06526	4.4
133.10129	22.6
135.11703	10.5
135.57500	3.1
139.07545	3.4
139.11092	3.1
145.10109	9.7
146.93025	3.5
147.11696	18.4
149.02283	3.8
149.05994	17.8
149.09573	6.3
149.13243	16.5
151.11179	15.0
157.10127	17.9
159.11710	11.4
161.13281	6.1
163.11186	12.2
165.12822	4.6
167.10626	3.2
171.11676	6.8
175.11168	16.6
177.12720	6.4
179.14276	5.9
193.05096	5.7
193.12259	49.1
195.13808	10.0
211.13297	77.0
227.12572	7.4
256.26306	15.6
259.20831	3.9
267.15887	21.9
269.17484	39.7
277.21609	17.1
285.16995	51.6
300.28928	6.2
333.24554	3.4
337.27295	5.7
341.10110	9.0
351.25342	16.0
461.28912	31.8
479.30035	100.0
512.12714	4.1
543.36243	5.6
561.37396	9.7
614.37213	47.8
615.35974	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	614.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	8.3
55.01878	6.5
55.05521	47.3
55.09324	3.1
55.59063	3.6
57.03442	20.7
57.07082	8.5
67.05510	93.1
69.03433	3.8
69.06798	15.1
69.07123	30.1
70.06592	19.5
71.05004	12.1
71.08644	25.7
77.82430	3.4
79.05503	84.0
81.03433	70.5
81.07068	100.0
83.04993	27.0
83.08630	36.3
85.02911	22.6
85.06565	7.8
85.57372	3.5
88.07603	5.2
91.05487	77.3
93.07050	75.1
95.04984	45.4
95.08614	41.2
97.02930	4.1
97.06538	21.0
97.10180	12.5
98.22625	7.0
99.08099	21.1
105.03400	13.3
105.07049	52.1
107.04990	13.6
107.08607	33.3
109.06538	7.8
109.10175	14.8
111.08114	16.5
113.05991	4.0
115.05441	4.1
117.07042	15.1
119.08595	32.0
121.06512	5.6
121.10143	28.4
123.08089	9.0
123.11727	6.0
125.09642	7.7
129.07021	15.2
131.08601	24.3
133.10126	27.3
135.11719	12.6
137.09669	8.8
139.11208	3.8
142.07915	3.9
143.08560	5.5
145.10115	6.5
146.11766	5.3
147.11697	23.3
149.01382	3.6
149.02283	17.5
149.05981	46.1
149.09605	8.2
149.13280	15.9
151.11208	29.5
157.10138	22.2
159.11722	15.3
161.13307	9.7
163.11165	18.5
171.11649	4.9
175.11218	20.7
179.14316	4.8
185.13318	5.6
189.11215	6.5
193.05043	16.4
193.12260	45.5
195.13887	6.7
211.13306	78.6
213.91919	3.3
227.12854	16.4
230.75229	3.4
241.19559	5.8
254.96573	4.0
256.26498	7.0
259.20590	6.3
265.90540	3.6
267.15994	24.9
269.17465	29.0
277.21664	23.4
285.17007	56.6
297.07629	10.2
298.03220	3.5
300.29056	20.7
309.60376	3.3
341.10223	47.4
351.25403	38.9
461.29077	26.2
463.30350	5.2
479.23682	6.9
479.30112	95.7
480.30490	6.6
504.08701	3.7
543.36749	13.6
561.37964	24.6
614.37103	77.0
615.35956	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01868	2.8
55.05512	41.7
57.03439	7.8
57.07072	8.5
65.03951	3.7
67.05505	74.6
69.03429	6.3
69.07074	21.6
69.12251	14.5
71.04993	29.8
71.08640	7.6
78.08136	2.9
79.05495	47.9
81.07056	100.0
83.04977	10.3
83.08620	39.1
85.06554	9.6
85.10172	3.4
87.04472	8.4
89.06030	79.0
91.05479	41.0
93.07047	60.1
93.07605	4.4
95.04998	9.3
95.08604	39.0
97.06525	26.5
97.10171	5.3
99.04497	2.5
103.05482	3.7
105.07029	39.3
107.08602	41.4
107.94080	2.5
109.06514	3.2
109.10151	19.6
111.08086	5.8
113.09644	8.0
117.07014	14.4
119.08575	27.1
121.06528	4.2
121.10143	24.6
123.08099	6.9
123.11715	13.3
125.09634	9.2
128.06258	2.4
129.06999	5.7
131.07048	3.5
131.08578	30.2
133.08604	49.5
133.10126	24.9
135.08023	4.3
135.11679	14.7
137.06088	3.3
139.11203	11.4
142.07756	3.8
143.08559	12.1
145.10143	20.2
147.08078	3.1
147.11691	11.3
148.51955	2.0
149.09621	3.6
149.13258	8.9
151.11200	6.5
155.08563	6.5
155.10710	7.3
156.09387	3.5
157.10124	12.2
159.08067	3.4
159.11649	12.1
161.13290	7.9
163.11253	3.4
163.14856	2.4
169.10179	6.5
171.11652	13.8
173.13297	5.8
175.14851	5.6
177.11227	20.3
179.08498	2.4
179.14331	4.5
181.10110	4.9
181.12268	8.5
183.11737	9.0
185.13297	10.5
187.14873	6.8
193.10176	3.6
194.11021	2.6
195.11725	7.8
195.13799	4.9
197.13367	7.9
199.14742	4.0
207.11703	4.4
209.13306	6.8
211.14915	5.0
213.16406	3.9
215.14339	2.5
221.13542	6.2
221.15468	4.0
223.15009	3.5
235.14804	3.5
243.20988	4.3
257.17621	4.1
261.16302	2.9
261.22141	7.2
273.18716	3.4
273.22025	3.7
283.17355	2.8
299.19989	4.9
301.20087	19.3
311.19937	4.1
317.24747	3.5
335.25800	23.1
371.22931	3.0
389.24609	3.4
411.32382	2.6
415.25369	19.5
437.34082	7.7
483.31091	2.6
485.36157	8.4
503.37363	55.4
511.37744	10.2
529.38953	72.1
530.38995	4.6
547.39734	6.0
561.41718	25.5
584.64880	2.6
615.40302	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	614.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.05511	20.6
57.03443	21.2
67.05504	62.7
69.07074	22.0
69.34487	19.0
71.04961	3.6
79.05502	29.0
80.07575	4.3
81.03417	96.5
81.07061	68.2
83.04978	6.8
83.08627	29.6
86.34673	3.4
89.06030	5.6
91.05486	24.3
93.07042	21.2
94.29604	3.3
95.04987	25.4
95.08611	46.6
96.79623	3.0
97.10161	7.2
105.07050	23.3
107.04984	8.7
107.08601	14.4
109.06492	5.9
109.10157	18.0
111.08071	5.2
119.08588	15.5
121.06499	4.4
121.10142	17.0
123.11741	6.5
127.96433	3.7
129.06998	9.0
131.08542	15.5
133.10120	11.1
135.11699	5.6
147.11649	10.5
157.10115	6.4
157.29561	3.3
165.12912	4.2
175.11166	3.5
193.12268	22.5
246.22319	3.0
263.23685	7.4
267.15924	100.0
268.16312	5.5
321.57507	3.5
337.27383	91.6
338.27777	4.4
351.21121	3.8
455.35516	6.0
473.35883	5.4
529.38916	90.0
530.38867	6.2
547.32721	3.8
547.40210	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	615.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16953	0.8
53.57472	0.7
55.05515	2.7
65.03944	2.3
67.05511	3.5
69.03454	2.3
69.07086	1.1
69.54132	0.8
69.54472	3.6
79.05511	1.3
81.03406	1.9
81.07063	4.3
83.04994	2.4
85.02896	1.3
91.05490	1.8
93.07079	2.4
94.06603	1.1
95.08611	1.9
98.23031	3.4
98.23727	0.9
105.07067	1.4
107.08557	0.9
109.10138	1.7
111.04473	4.1
121.10168	1.7
123.11745	2.9
125.02387	1.0
133.10213	1.0
137.02376	1.1
143.08464	0.9
150.05574	1.9
153.01884	1.7
153.03075	0.8
157.04977	10.7
167.03413	100.0
168.03793	1.7
168.06734	0.9
185.97444	0.8
193.04990	2.0
197.10764	1.3
209.04576	1.0
215.07047	1.1
221.04475	11.3
225.10275	1.4
227.11874	1.1
231.06320	1.0
233.08118	3.6
237.03984	0.8
253.09753	0.9
255.11407	2.1
277.07089	2.1
285.12271	1.6
293.36856	0.9
295.08105	11.9
299.05533	1.9
299.10367	1.5
303.05063	2.7
305.56326	0.8
313.09012	2.2
313.11954	6.0
313.16064	1.2
314.17163	1.5
315.04956	2.1
315.13419	4.3
316.55487	0.9
327.05188	5.1
345.06024	3.3
368.35095	0.9
369.05847	1.4
413.08740	1.5
466.18832	0.8
511.08270	0.9
615.13861	2.0
615.23627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01883	6.3
55.05512	28.7
55.98929	4.4
57.03458	4.2
65.03945	5.0
67.05518	36.2
69.03427	18.0
69.07061	28.6
70.66922	7.4
71.05016	4.8
71.08626	5.7
77.61455	4.7
79.05486	18.2
81.03411	23.2
81.07063	96.6
82.83179	4.1
83.05009	6.5
83.08630	11.9
85.02893	9.8
91.05478	18.4
92.30211	4.6
93.07048	37.9
95.04994	11.0
95.08619	100.0
97.02899	8.9
97.06535	9.0
97.10170	12.2
99.08082	4.3
105.07029	34.5
107.04960	4.8
107.08609	41.8
109.02913	6.8
109.06509	6.5
109.10159	46.5
111.04405	10.0
111.08116	8.5
111.11723	7.3
111.76321	4.4
113.61685	4.3
117.07103	7.7
119.08582	30.3
121.06524	7.5
121.10157	34.2
123.08069	5.3
123.11739	29.2
125.09654	8.3
127.03909	11.6
129.06938	5.6
131.08592	14.1
133.10129	18.5
135.11717	15.8
137.13248	8.0
138.21603	4.9
139.11159	8.5
145.10162	12.7
147.11693	14.7
148.14787	4.8
149.13315	33.1
151.11205	7.3
151.14833	9.5
157.10123	6.2
159.11734	9.8
161.09682	5.5
161.13245	13.3
163.11183	6.3
163.14864	13.9
173.13239	8.7
175.14836	10.5
179.14375	7.1
185.13298	5.7
189.16406	6.6
213.52202	4.9
228.20044	4.7
277.25403	5.4
289.25217	15.3
307.26376	5.4
373.27554	7.3
397.27371	8.3
402.31052	5.3
415.28314	34.7
415.63724	5.3
421.29758	6.3
433.29590	49.3
451.30637	31.6
469.31799	7.3
492.39523	5.0
585.04852	5.8
615.31866	7.5
616.10748	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	615.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.7
52.32415	1.6
53.03941	2.3
55.01873	7.9
55.05511	64.6
57.07077	9.8
59.04990	3.1
65.03920	3.1
67.05506	22.0
69.03425	13.7
69.07069	10.5
69.10220	8.6
71.04999	9.7
71.08611	2.4
73.06532	1.8
77.03931	2.3
79.05486	14.4
81.03419	2.0
81.07059	18.4
83.03847	2.0
83.04977	14.7
83.08619	100.0
84.08961	1.8
85.02895	2.8
85.06548	8.4
87.04473	6.2
89.06039	10.3
91.05483	23.4
92.78716	1.6
93.07047	29.3
95.04967	16.8
95.08605	33.9
97.06530	43.6
105.04544	2.4
105.06348	2.8
105.07027	38.4
107.04920	2.3
107.08593	50.4
108.08938	1.7
109.06492	8.1
109.10131	10.1
111.08092	7.6
113.05977	2.2
113.09647	24.6
115.05453	3.7
117.07018	7.8
119.06068	1.9
119.08572	32.9
121.06500	6.2
121.10132	19.4
123.08064	16.7
123.11700	3.8
125.09624	27.5
127.07609	2.0
128.06235	5.7
129.07001	8.8
130.07771	4.2
130.89687	1.6
131.08545	20.5
133.06517	3.3
133.08577	5.8
133.10136	17.5
135.08054	3.5
135.11673	4.9
136.08850	1.8
137.09608	7.9
139.11174	29.8
141.06989	4.5
141.09099	3.0
142.07762	12.3
143.08569	19.1
144.09315	2.8
145.06516	1.8
145.10123	27.2
147.07993	3.8
147.11688	9.3
149.09622	7.4
151.11185	1.8
153.06995	3.0
153.09074	3.8
153.12744	8.6
154.07753	2.1
155.08664	9.0
155.10667	20.4
156.09311	8.0
157.10123	29.0
158.10840	2.6
159.08073	9.6
159.11671	9.4
161.09576	6.1
161.13217	1.7
163.11160	4.9
165.06995	6.3
165.09154	1.7
167.08545	5.7
167.10663	5.7
167.14226	1.9
168.09294	4.8
169.10109	19.4
170.10895	4.3
171.08038	2.7
171.10355	2.1
171.11685	18.3
173.09592	7.2
173.13278	4.4
175.11171	3.4
177.12683	2.1
179.08603	7.8
179.10518	2.2
179.14304	6.9
180.09296	4.5
181.10214	10.8
181.12216	38.1
182.10899	4.0
183.08046	2.1
183.11705	15.4
185.09579	4.9
185.13130	8.6
187.11148	3.7
189.12689	2.5
192.09337	3.6
193.10043	7.7
194.10896	5.5
195.11699	17.9
195.13820	9.3
196.12454	5.9
197.09685	2.7
197.13248	15.7
199.11211	2.8
199.14853	3.6
201.12704	2.1
203.14380	2.5
205.10287	1.7
205.15863	4.0
206.10915	4.6
207.11670	10.1
208.12482	3.2
209.13264	15.8
210.13905	1.9
211.13121	1.5
211.14775	9.3
213.12669	2.1
213.16386	2.2
215.14319	5.3
217.10130	2.3
217.15863	2.0
219.11659	5.2
220.12410	4.7
221.13219	13.5
221.15361	18.7
222.14011	2.4
223.11131	3.5
223.12921	2.5
223.14948	9.8
225.12720	4.9
225.16467	2.0
227.14281	3.4
230.10867	2.4
231.11702	4.3
231.17531	2.0
232.12469	1.7
233.13316	3.4
233.15416	5.5
235.14836	8.6
235.16864	1.6
236.15439	1.8
237.12712	2.2
237.16418	5.2
239.14316	2.8
241.15930	3.6
243.11771	2.2
245.13191	3.2
245.15370	3.5
246.14012	4.4
247.14799	4.0
247.16919	10.9
249.16328	2.5
251.17897	2.0
253.15927	2.9
255.17459	1.9
257.18997	2.9
259.14655	2.6
259.17010	3.9
260.15375	2.6
261.16360	15.8
263.17984	3.6
271.17075	2.1
273.18600	4.0
275.17874	5.2
277.19397	2.3
279.17258	1.7
281.18771	2.0
283.17096	1.9
285.18539	16.8
287.17566	2.4
287.20361	2.9
289.19418	2.6
291.17474	2.5
293.18689	2.1
297.18524	4.7
298.19461	10.2
299.20084	23.9
311.20105	7.8
323.20154	3.5
324.20758	3.1
329.22522	1.8
337.21689	2.8
347.22327	2.0
351.23221	3.8
363.23053	4.9
364.23956	7.6
389.24545	4.5
429.27924	11.9
465.29877	2.6
483.30948	2.2
491.31186	3.9
523.34088	2.8
539.35596	2.3
555.38336	1.7
557.36328	5.1
567.24768	1.8
597.39301	13.4
615.40576	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.9
55.01873	7.3
55.05513	61.3
57.07078	13.0
57.99045	1.6
59.05008	3.2
67.05507	20.6
69.03436	11.8
69.07078	8.5
71.04986	11.0
73.12010	1.6
79.05496	17.4
81.03413	2.5
81.07061	18.6
83.04987	21.2
83.08623	100.0
85.02905	3.5
85.06549	9.2
87.04468	6.3
89.06030	27.2
90.06385	5.2
90.34329	1.5
91.05478	25.5
93.07052	27.4
95.04987	21.3
95.08611	27.1
97.06538	45.4
97.10173	2.7
103.05484	2.6
105.07037	34.9
107.04979	3.2
107.08595	56.7
109.06509	8.8
109.10150	11.8
111.04371	1.9
111.08114	7.1
113.06033	2.3
113.09634	22.7
115.05437	2.5
117.07040	7.9
119.04951	2.5
119.06108	1.9
119.08578	32.0
121.06535	6.3
121.10152	17.4
123.08082	18.1
123.11661	1.9
125.09635	33.1
128.06248	6.7
129.07013	9.7
130.07806	5.7
131.08575	22.0
133.08617	16.0
133.10109	16.0
135.08051	4.5
135.11717	7.1
135.12674	1.8
137.09616	6.7
139.11186	28.8
141.07037	4.5
141.09152	2.0
142.07790	8.1
143.08566	20.5
143.74162	1.6
144.09366	5.2
145.06569	1.9
145.10121	24.1
147.08017	4.2
147.11685	8.6
149.09636	8.0
151.11195	2.5
153.06976	2.5
153.09088	4.1
153.12756	10.8
154.07831	1.9
155.08647	9.2
155.10672	23.2
156.09396	9.4
157.06557	1.8
157.10126	31.5
159.08089	4.7
159.11664	8.6
160.08833	2.2
161.09612	2.6
161.13216	2.6
163.11218	6.9
165.07010	5.1
167.08578	8.2
168.09317	2.9
169.10129	18.8
170.10904	4.4
171.08144	3.4
171.10275	2.5
171.11653	19.5
173.09645	7.1
173.13287	5.0
175.11197	4.9
177.11267	7.9
177.12691	2.8
179.08566	7.2
179.10692	4.6
179.14308	5.6
180.09390	3.3
181.10149	12.7
181.12236	40.6
182.10960	4.5
183.11736	16.0
185.09642	5.2
185.13289	7.9
187.11186	3.5
187.14821	1.9
188.11998	2.0
189.12775	4.1
191.14343	2.4
192.09233	3.1
193.10185	8.2
194.10898	5.1
195.11731	17.8
195.13837	9.7
195.35291	1.7
195.87631	2.0
196.12485	5.7
197.09756	2.2
197.13251	14.7
199.11235	4.2
199.14848	2.4
201.12759	3.0
203.14366	2.7
205.10239	2.9
205.15950	4.1
206.10942	7.2
207.11731	10.2
207.13670	2.8
208.12524	3.4
209.13365	13.9
209.15294	3.0
211.14749	8.6
213.16418	2.2
214.10857	1.9
215.14386	5.3
217.10194	2.3
219.11832	3.6
220.12479	4.7
221.13292	14.1
221.15422	14.8
222.14001	2.8
223.14864	6.9
225.12816	3.5
227.14447	1.7
229.10287	2.0
229.41206	1.8
231.11676	6.8
231.13794	2.0
233.13293	5.1
233.15425	5.6
235.14844	8.6
237.14706	4.3
237.16728	3.7
239.14268	2.0
241.15874	3.1
243.17511	4.0
245.13219	4.3
245.15506	4.4
246.13995	5.5
247.14781	3.4
247.17001	10.7
249.16440	4.7
255.17537	2.8
259.14493	2.1
259.16989	4.7
259.42609	2.0
261.16293	11.9
262.17163	2.4
263.17902	4.1
265.15900	2.7
269.18994	3.2
273.16110	2.4
273.18729	3.4
275.17929	5.9
277.19492	2.5
279.17471	3.8
281.19037	2.2
283.17102	2.1
285.18552	12.3
289.19565	3.7
297.18582	5.9
298.19354	8.1
299.20108	20.4
301.19345	1.9
305.19247	2.4
309.18515	2.7
311.20007	9.0
323.19937	6.2
324.20819	2.2
328.86456	1.6
337.21613	3.0
347.22632	2.2
349.21887	2.4
351.23233	5.5
353.22659	2.1
363.23227	6.0
364.23929	5.6
365.25189	1.9
375.23260	1.9
377.24661	3.5
389.24622	2.8
415.25638	3.8
416.25827	3.8
429.28113	8.9
465.29489	2.9
483.31146	2.3
523.34155	2.4
557.36499	3.7
597.39490	14.4
615.40393	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	615.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01874	7.0
55.05513	61.4
57.07071	11.0
59.05011	3.2
67.05514	21.5
69.03423	14.6
69.03693	1.4
69.07090	8.8
71.04987	9.5
71.08633	3.5
73.06539	2.3
79.05505	16.3
81.03450	2.0
81.07063	14.4
83.04979	17.7
83.08620	100.0
85.02903	3.1
85.06561	9.7
85.10165	1.9
87.04484	4.7
89.06065	6.2
91.05476	23.4
93.07042	26.9
95.04977	15.1
95.08616	34.0
97.06527	46.3
97.07108	2.8
97.10178	3.3
98.23478	4.7
99.08120	2.7
99.28810	1.8
103.05478	1.8
103.42916	1.8
105.04526	2.5
105.07024	35.9
107.04969	3.0
107.08596	45.7
109.06545	5.3
109.10168	8.7
111.08080	9.7
113.09651	23.8
115.05488	2.5
117.07037	4.8
119.05002	2.9
119.08578	30.7
121.06523	5.0
121.10130	18.1
123.08077	20.1
125.09631	27.0
125.10464	1.8
127.07625	3.7
128.06256	6.2
129.07016	9.3
130.07806	4.1
131.08568	17.7
133.06477	3.3
133.08614	4.7
133.10141	16.5
135.08096	4.0
135.11736	5.2
136.08890	2.4
137.09689	4.4
139.11172	28.3
141.06996	4.0
142.07762	11.1
143.08575	21.8
144.09334	4.6
145.06520	4.0
145.10115	25.1
147.08080	3.8
147.11682	9.6
149.09660	5.7
149.13397	2.0
151.11267	2.3
153.09120	4.0
153.12805	7.3
155.08586	11.9
155.10652	18.5
156.09390	6.8
157.10110	34.6
158.07278	3.5
159.08000	10.7
159.11673	9.8
160.08882	2.2
161.09645	4.0
161.13329	2.6
163.11224	4.8
165.07042	4.5
166.07840	3.4
167.08665	6.6
167.10733	2.6
168.09431	6.5
169.10118	19.2
170.10922	3.0
171.08182	2.7
171.10277	3.8
171.11673	20.4
172.08856	2.5
173.09669	4.3
173.13298	4.2
175.11258	4.4
177.12778	1.8
179.08630	5.9
179.10757	2.9
179.14273	4.3
180.09404	4.9
181.10211	12.3
181.12309	38.2
181.13762	2.4
182.10886	5.4
182.12544	2.5
183.08276	2.2
183.11713	14.3
185.09584	3.5
185.13254	9.4
187.11205	4.1
189.12868	3.4
189.14789	1.8
191.14310	2.2
193.10175	8.2
194.10950	6.5
195.11765	21.2
195.13844	8.5
196.12541	7.3
197.13356	9.7
199.11192	3.4
199.14790	2.1
201.12888	2.8
205.10269	3.1
206.10962	4.4
207.11778	8.1
207.13710	2.3
208.12558	4.0
209.13277	18.0
209.15259	3.2
211.14948	8.0
213.12907	3.3
215.14386	4.1
218.10983	2.8
219.11707	4.0
220.12459	2.9
221.13341	13.8
221.15459	18.0
222.13934	2.4
223.11261	3.8
223.13159	3.9
223.14949	7.7
225.12875	3.9
227.14507	4.0
230.10977	2.3
231.11700	4.8
231.17513	2.3
232.12512	4.2
233.13226	4.4
233.15474	7.8
235.14948	7.6
237.12856	2.0
237.14938	5.9
239.14450	2.8
241.15863	2.6
243.17477	2.3
245.13298	3.7
245.15536	6.4
246.14093	3.6
247.14894	4.2
247.17062	11.5
249.16394	2.7
251.18166	2.0
257.18942	2.5
258.14081	2.8
259.14719	3.3
259.17084	5.6
261.16342	16.1
263.18015	3.8
265.15967	2.4
273.18524	3.9
275.18069	2.3
277.16153	2.0
277.19467	3.1
279.17401	2.1
285.18509	12.7
287.17834	2.9
289.19635	2.4
293.19000	2.3
297.18604	2.7
298.19324	8.1
299.20157	23.2
307.20526	2.0
311.20258	7.6
323.20193	4.3
324.20923	2.1
335.21970	2.2
337.21887	3.6
349.21808	3.8
351.23145	4.1
363.23270	1.9
364.24213	5.1
371.24127	1.9
389.24921	5.9
413.26501	1.9
429.28003	13.8
429.77594	2.0
430.28445	2.1
472.72473	1.9
523.34430	2.3
557.36523	3.6
585.55151	1.9
587.46008	1.9
597.39380	14.6
615.39441	67.7
616.39996	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	616.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.1
55.01882	10.8
55.05516	57.2
57.03440	13.7
61.41275	3.3
67.05516	65.9
69.03439	29.5
69.07077	19.8
69.17171	16.8
69.17594	5.5
71.05004	11.7
72.68980	3.1
79.05494	46.9
81.03429	100.0
81.07064	68.2
83.04993	25.9
83.08623	35.2
85.02924	10.5
85.06550	6.8
91.05486	46.3
93.07054	39.8
95.01347	3.6
95.04983	36.3
95.08610	30.4
97.02905	10.4
97.06574	9.0
97.10177	63.0
98.22946	16.7
98.97558	4.2
99.04499	10.1
105.07043	53.3
105.34668	3.3
107.04976	13.0
107.08592	33.1
109.02889	55.8
109.06528	16.3
109.10170	26.3
111.04463	13.9
111.08100	14.2
117.07016	23.7
119.08597	30.8
121.02895	5.5
121.06512	18.9
121.10190	16.7
123.04419	5.1
123.08076	68.5
123.08911	6.0
123.11701	9.3
125.09646	62.8
127.03924	49.2
129.07028	16.2
131.08578	40.6
133.06526	9.6
133.10126	17.7
135.08076	14.8
135.11703	5.3
137.06021	5.0
137.09642	13.3
141.07173	4.5
143.08614	8.4
143.10648	4.3
145.06508	7.8
145.10164	27.5
147.08044	10.8
147.11742	8.4
148.11243	27.6
149.06029	3.8
149.09680	10.5
149.11565	10.8
151.07553	3.5
153.09157	10.6
153.12758	8.7
155.08609	9.0
157.10117	13.0
159.08063	7.1
159.11725	11.0
159.72508	3.3
161.09645	7.9
163.07578	3.5
163.11188	18.2
165.09161	15.5
169.10175	4.3
170.99626	4.0
171.08018	4.0
171.10255	7.0
171.11766	10.5
173.06056	6.3
173.11844	4.1
173.13255	4.7
175.11189	7.3
176.14706	3.5
185.09785	3.6
185.13338	4.9
187.11232	3.4
187.14880	12.3
189.00761	6.4
189.09401	6.4
189.11241	70.4
189.12811	7.1
191.10663	7.7
193.12297	20.0
197.13257	23.8
203.14391	5.1
205.08655	5.9
209.11815	7.6
211.13281	29.5
213.09198	3.8
215.14357	14.4
227.12775	7.1
233.15390	55.0
235.13109	4.2
235.17084	5.9
245.19101	4.4
251.16428	72.6
255.17557	10.4
268.93719	3.6
273.18494	47.9
279.12363	3.5
289.17996	3.8
291.16302	4.8
291.19553	82.9
292.20056	4.0
297.13431	4.6
299.05484	3.9
301.14359	6.1
309.20566	6.5
313.18027	4.0
315.14444	6.1
315.19568	6.0
319.15292	8.9
333.16437	3.4
333.20572	5.5
337.08981	3.7
337.16507	9.8
341.17529	4.2
355.17514	19.7
359.18613	8.2
377.19669	13.3
395.20654	47.2
399.21753	12.0
417.22739	31.8
435.23813	40.0
437.14890	6.6
453.24875	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.078
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01603	0.4
51.02378	0.9
53.00315	0.3
55.01880	0.2
56.96561	0.1
69.03427	0.6
70.29643	0.3
72.28665	0.1
79.01860	5.7
81.03445	0.8
83.01347	0.3
85.02923	0.2
97.02900	1.4
98.97599	0.7
99.04460	0.3
103.05461	0.2
107.00664	0.2
107.01339	1.3
109.02905	1.0
110.97581	0.3
111.04433	0.2
113.17358	0.1
116.98597	0.2
119.96333	0.2
123.00816	0.2
125.02354	2.8
125.03207	0.2
127.03925	4.1
128.98616	0.2
131.00134	0.2
131.04893	0.2
133.02849	0.2
143.03415	6.6
143.20885	0.1
145.04974	0.9
147.04419	0.3
153.01842	100.0
153.02911	5.7
154.02174	1.5
157.02808	0.1
159.04395	0.2
163.03905	0.3
170.99660	0.3
173.02528	0.2
174.03183	0.1
175.03944	0.4
177.05530	0.2
179.03404	0.4
185.02315	0.3
187.03906	0.8
189.00722	0.7
191.03412	0.5
195.02931	0.3
201.01831	0.4
203.03436	0.6
205.05011	0.4
207.03009	0.3
213.01964	0.8
215.03391	1.1
219.02953	0.4
229.01360	0.7
231.02931	3.5
233.04443	1.0
237.03886	0.1
241.01297	0.6
245.38922	0.1
247.02383	0.7
249.02835	0.1
257.00867	0.6
259.02399	6.7
260.02902	0.2
261.04037	1.0
275.01862	2.2
276.02628	0.7
277.03458	18.8
278.03751	0.5
279.05008	0.4
285.00424	0.5
291.03906	0.3
297.05920	0.6
303.01373	12.1
304.01703	0.3
321.02283	0.2
363.03473	0.4
385.05396	0.2
429.04626	0.3
437.14749	0.4
447.05276	0.5
455.01617	0.2
455.15857	0.2
539.96576	0.2
557.18958	0.8
599.06683	0.2
617.07739	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	617.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.03418	0.6
58.82851	0.4
62.21970	0.3
67.05513	2.1
69.07066	0.8
70.24308	0.4
79.05492	1.8
81.03425	1.3
81.07053	3.0
83.05000	0.6
83.08625	0.9
85.02897	1.2
91.05458	2.0
93.07053	2.5
95.04975	0.8
95.08582	1.1
99.53983	0.4
105.07018	1.8
107.08575	1.1
109.10192	0.4
111.08119	0.5
117.07001	0.4
119.08602	1.3
121.06532	0.5
121.10175	0.6
123.08057	0.5
129.07047	0.4
131.08571	1.0
133.10193	1.0
137.09602	0.4
137.26620	0.4
143.08565	0.5
145.10170	0.5
147.11705	1.0
157.10133	1.0
159.11771	0.6
175.11205	0.4
175.41292	0.4
198.51328	0.4
207.62633	0.4
251.12505	1.8
307.15298	1.1
333.20331	6.3
367.77600	0.5
389.22955	2.9
519.29163	0.6
613.36261	0.4
617.36536	100.0
618.36975	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	617.3673
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
55.05519	0.7
57.03430	0.9
67.05511	2.2
69.05772	0.3
69.07087	0.8
76.33646	0.3
79.05511	1.4
81.03430	0.9
81.07075	2.6
83.08636	0.5
85.02927	1.0
91.05480	1.7
91.09304	0.3
93.07050	2.1
95.04987	0.8
95.08610	1.2
97.06580	0.5
99.25349	0.3
105.07054	1.2
107.08630	1.3
109.06516	0.4
109.10140	0.9
110.08498	0.3
119.08614	1.6
121.10166	0.5
123.11794	0.3
131.08603	0.6
133.10188	0.6
135.11728	0.7
147.11763	0.5
149.09673	0.5
157.10239	0.6
167.10835	0.3
168.52571	0.4
198.79457	0.3
204.80838	0.4
221.15283	0.5
251.12579	1.8
258.33264	0.3
307.15244	1.0
317.59058	0.4
333.20432	4.9
389.23022	5.0
535.42126	0.4
617.36646	100.0
618.37018	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	617.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89441	4.0
55.05516	72.1
57.07056	7.1
61.84352	4.1
67.05495	26.9
69.03417	11.3
69.07067	7.7
71.04984	5.4
79.05486	16.7
81.07046	23.2
83.04974	22.4
83.08614	100.0
87.04435	4.7
91.05482	26.9
93.07042	36.5
95.04971	15.5
95.08611	27.1
97.06532	23.5
105.07034	58.6
107.08596	60.9
109.06506	10.0
109.10143	18.8
111.08067	10.1
113.09647	18.0
117.07042	10.7
119.08562	44.7
121.06590	5.4
121.10139	36.7
123.08081	17.1
125.09678	23.6
129.06987	11.1
131.08582	30.9
133.10139	24.7
135.08066	11.4
135.11661	11.7
137.09631	4.5
139.11192	18.9
142.07785	13.4
143.08565	31.0
144.09196	6.6
145.10120	44.8
147.08076	6.2
147.11617	11.9
149.09625	6.4
153.12737	5.7
155.08548	14.3
155.10606	14.7
156.09212	7.0
157.10124	44.0
158.10774	5.6
159.08067	11.8
159.11703	17.0
161.09660	11.2
165.12820	5.0
167.08519	9.6
167.10681	21.1
169.10117	20.1
171.11639	26.0
173.13261	17.9
175.11165	5.8
179.08562	13.5
180.09306	8.8
181.10170	10.2
181.12209	22.8
183.11681	20.8
185.13280	11.2
192.09360	7.5
194.10834	10.1
195.11732	18.5
195.13748	7.9
197.13196	15.9
199.14902	10.5
207.11668	13.5
207.13748	5.7
208.12285	5.7
209.13232	17.8
211.14832	14.3
212.15225	6.1
213.16451	6.1
217.16003	9.8
221.13243	13.1
221.15341	12.3
222.13916	5.1
223.14810	9.2
231.11850	5.6
233.13306	6.2
233.15402	18.9
235.14861	10.1
237.16397	5.6
249.16220	5.5
263.17896	10.3
271.14688	6.1
283.20792	6.7
287.20081	6.3
299.20013	16.7
311.20120	8.7
339.20978	5.2
404.80365	5.2
413.28461	6.7
531.29144	6.9
563.38580	7.1
581.39844	10.4
617.34540	55.6
618.34448	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	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.63418	2.6
55.01860	3.7
55.05264	3.1
55.05513	43.2
57.07064	8.9
58.66625	2.4
65.03933	2.4
67.05505	14.9
69.03423	10.2
69.07065	5.1
71.04970	4.2
71.08149	2.5
71.19444	2.8
72.85480	2.5
76.53032	2.3
79.05504	14.3
81.07053	22.1
83.04962	9.9
83.08620	52.7
85.06539	8.0
87.04468	5.1
91.05475	25.9
93.07046	33.8
95.04964	10.8
95.08610	19.6
97.06516	16.4
105.07027	35.9
107.08595	36.7
109.06502	10.9
109.10160	8.6
111.08069	3.7
113.09639	7.5
117.07012	8.6
119.08588	36.2
121.06481	7.2
121.10155	19.2
123.08071	17.0
125.09597	13.6
128.06213	3.8
129.07005	6.9
130.07750	5.9
131.08574	22.2
133.06458	3.2
133.10139	16.6
135.08057	9.9
135.11710	4.2
137.09595	10.9
137.10561	2.9
139.11150	5.7
141.07005	4.7
142.07755	11.6
143.08574	12.3
145.10121	30.2
147.08028	17.9
147.11671	6.2
149.09641	5.0
151.07570	17.9
155.08560	6.4
155.10670	7.7
156.09340	5.3
157.10117	29.2
158.10721	2.6
159.08023	4.3
159.11682	11.9
161.09593	4.6
161.13243	5.4
163.11180	7.1
165.07057	4.3
165.09105	41.4
167.08615	2.8
168.09253	3.4
169.10060	12.4
170.10907	3.1
171.11623	13.0
173.09492	3.7
173.13293	7.9
175.11180	3.4
175.14764	3.3
179.08574	5.9
179.14342	2.6
181.10175	6.8
181.12238	17.4
182.10715	2.8
183.11659	11.8
185.13300	7.7
189.12701	6.3
193.10080	6.3
194.10820	4.5
195.11621	5.5
195.13739	3.2
196.12326	3.8
197.13254	18.9
199.14928	3.5
201.12779	3.6
203.14311	15.4
207.11778	5.1
207.13812	8.9
208.12419	3.0
209.13321	6.3
211.14864	6.6
221.13470	4.0
221.15350	100.0
223.14880	13.7
225.16525	3.4
227.14305	3.3
235.14758	3.3
247.16978	5.8
275.20355	2.8
286.19153	5.0
287.20126	7.7
299.19977	14.0
300.20673	4.1
311.19910	3.5
313.21509	3.5
325.21594	4.1
353.24402	3.3
365.24710	6.5
391.26160	7.2
419.29205	4.3
431.29031	4.0
536.43323	2.9
581.39844	3.4
599.40845	18.1
617.41895	38.9
618.42078	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	618.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.3
51.02375	0.8
55.01884	0.3
56.10152	0.2
65.03929	2.2
69.03436	0.5
69.50122	0.9
69.50475	0.3
72.06672	0.2
79.01389	0.3
79.01852	5.8
97.02876	1.3
100.35767	0.2
103.80497	0.2
107.01307	1.3
107.04951	0.4
111.04452	1.3
119.04922	0.2
121.02865	47.3
121.03875	1.9
122.03197	0.3
125.02355	3.1
127.03885	0.3
131.04918	0.4
143.03403	7.5
145.02846	0.4
147.04445	0.5
153.01825	100.0
153.02907	6.1
154.02116	0.9
155.49979	0.2
159.04379	0.4
162.03120	0.8
163.03941	1.2
168.23619	0.2
173.06049	0.2
175.03882	0.9
176.04697	0.2
177.05431	1.2
179.03577	0.2
180.00615	0.3
181.05046	0.2
183.29884	0.2
187.03960	0.4
190.02617	0.6
191.03384	7.2
193.04964	0.3
195.02899	1.1
197.04489	0.3
199.03854	0.2
204.04121	0.5
205.04939	2.7
207.02850	0.4
207.06497	0.8
209.04428	0.9
213.04005	0.6
215.03262	0.3
218.02106	0.4
219.06561	0.5
221.04411	0.6
223.06001	2.5
232.03525	0.4
233.04446	3.6
243.02884	0.6
247.06033	0.5
251.05499	18.0
252.05676	0.3
255.05042	0.7
260.03128	0.8
263.05472	1.0
275.05499	4.0
281.06659	0.3
293.06537	3.6
311.07526	0.5
413.08401	0.5
431.09750	0.5
463.08417	0.6
601.11890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05516	24.4
57.07079	4.4
59.05008	2.6
60.08181	1.9
65.03950	2.9
67.05514	18.7
69.03439	8.0
69.07081	10.8
69.66126	3.0
69.66512	3.5
69.82603	1.4
71.04994	4.6
79.05498	17.7
81.07067	25.6
83.04991	9.8
83.08624	33.8
85.02886	2.8
85.06572	4.1
86.09715	5.5
87.04503	1.8
91.05486	27.4
93.07047	34.9
95.04980	16.2
95.08626	16.4
97.06540	10.9
103.05511	2.4
104.10757	31.0
105.04552	1.7
105.07040	47.8
107.04953	3.9
107.08600	37.6
107.09257	2.8
109.06516	9.0
109.10171	17.1
111.08111	5.8
113.09667	6.5
115.05474	5.8
116.06188	1.9
117.07042	12.6
119.08595	41.9
120.09383	2.2
121.06519	7.1
121.10158	27.6
123.08098	9.2
123.11733	4.1
125.09663	10.8
128.06235	9.4
129.07018	10.4
130.07774	4.3
131.08589	23.7
133.10143	26.7
135.08090	6.7
135.11725	6.0
137.09650	3.1
139.11171	7.7
141.07005	5.4
142.07771	13.7
143.08572	23.4
144.09387	8.1
145.06496	3.6
145.10135	38.5
147.08105	7.7
147.11697	14.3
149.09616	11.7
149.13249	2.1
153.06996	2.7
155.08603	9.2
155.10684	9.0
156.09381	13.2
157.10136	33.0
158.10921	3.7
159.08023	9.2
159.11693	16.4
160.08887	7.0
161.09630	7.4
161.13266	3.3
163.11240	3.7
165.07059	2.7
167.08597	4.9
167.10693	9.8
168.09367	2.3
169.10135	16.6
170.10974	3.7
171.11684	19.4
172.12389	2.3
173.09653	6.0
173.13356	7.5
174.13695	1.8
175.11197	8.5
175.14841	1.8
179.08563	6.3
179.14250	3.0
180.09348	3.4
181.10176	8.4
181.12230	14.5
182.10921	6.2
183.11630	10.0
183.13873	1.8
184.12477	3.5
185.09734	3.0
185.13286	12.1
187.11230	3.7
187.14853	5.1
189.12756	3.2
191.14322	5.8
191.58925	1.5
192.09366	1.9
193.10178	7.0
194.10895	6.2
195.11710	10.6
195.13438	1.9
196.12482	7.0
197.09566	2.0
197.13277	19.2
197.14920	2.5
198.14104	2.0
198.96861	4.2
199.11269	3.6
199.14908	8.5
200.15533	1.9
201.12842	2.2
203.10582	1.8
203.14310	2.0
205.10130	2.3
206.10928	2.9
207.11761	9.1
207.13560	2.2
208.12434	4.1
208.14366	2.9
209.13249	11.1
210.13969	2.9
211.14851	10.4
212.15529	3.3
213.12830	4.7
215.14262	9.0
216.97916	2.4
218.16621	3.0
219.11710	2.1
220.12430	3.6
221.13239	6.0
221.15425	10.8
222.14012	2.6
223.14883	7.4
225.12885	3.0
225.14893	4.9
225.16684	2.7
227.14311	2.8
229.15819	2.4
231.11635	2.4
233.13266	2.6
233.15349	23.6
234.16086	2.5
235.14845	5.2
236.15637	1.9
237.16537	8.1
239.18016	2.3
245.13283	3.1
246.14052	2.0
246.16347	2.6
247.14784	3.6
247.17039	3.4
249.16386	6.0
251.17992	4.3
253.15948	2.4
255.17383	17.0
257.19165	2.5
259.14847	4.8
261.16507	3.6
263.18015	3.0
265.19501	3.4
267.17468	2.9
268.18433	1.7
269.19031	4.1
270.19772	4.9
271.20673	4.4
273.18616	3.1
275.17767	2.1
281.19006	3.3
282.19754	2.9
283.20792	2.3
286.19321	2.5
287.20309	2.7
294.19891	2.1
295.20657	2.9
299.20184	4.3
301.19424	2.8
334.16861	1.7
334.22910	1.7
335.22101	6.3
336.24683	2.0
337.20627	4.2
337.25146	2.3
338.20935	1.6
347.23947	2.0
348.24332	2.1
349.25323	2.4
361.25290	1.7
365.24759	6.1
367.26245	3.1
373.25055	2.3
383.25839	7.6
391.24478	2.3
399.26651	2.0
414.29254	2.7
455.93753	1.6
490.65765	1.5
558.28601	5.3
600.42102	2.6
618.36169	6.7
618.43524	6.0
619.38196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02379	0.8
53.00311	0.2
55.01870	0.2
69.03432	0.3
70.99976	0.2
79.01854	6.5
81.03416	0.4
97.02895	1.3
107.01323	1.3
109.02879	0.4
112.60413	0.1
123.00793	0.3
125.02352	3.1
127.03902	1.4
143.02242	0.2
143.03397	6.7
153.01830	100.0
153.02892	5.6
154.02159	1.5
159.04395	0.1
183.03052	0.1
205.04964	0.2
213.03931	0.2
233.04366	0.5
237.03967	0.3
261.03949	0.7
279.04962	0.8
297.06061	0.4
304.20599	0.1
305.02914	0.3
311.72308	0.1
315.13388	0.8
316.13638	0.3
343.10413	0.1
386.73441	0.1
419.62387	0.1
444.68243	0.1
449.07095	1.4
467.08105	0.3
484.24905	0.1
501.99850	0.1
619.09082	0.2
619.41541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02377	0.7
53.00318	0.1
53.03967	0.1
55.01870	0.2
68.99819	0.1
69.03420	0.2
69.98661	0.2
69.99022	0.2
71.05003	0.1
79.01861	5.6
80.02203	0.1
81.03423	1.6
81.67858	0.1
92.05447	0.1
97.02895	0.8
98.23205	0.2
99.04459	0.1
99.80862	0.1
107.01324	1.4
109.02901	0.6
113.48751	0.1
123.00795	0.4
125.02354	2.7
127.03925	6.6
131.72891	0.1
143.03404	6.7
153.01840	100.0
153.02902	5.8
154.02176	1.3
163.03922	0.3
187.16379	0.1
191.03395	0.7
197.07622	0.1
209.04582	0.1
213.03949	2.3
233.04521	0.1
235.06145	0.1
237.03925	1.5
261.03961	0.4
279.05023	2.3
297.06052	0.3
449.07208	1.2
467.08606	0.1
618.24231	0.1
619.08502	0.2
619.24768	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
51.02382	0.9
69.03434	0.2
71.44147	0.2
79.01860	6.1
81.03423	0.8
97.02896	1.2
107.01311	1.3
109.02882	0.9
118.98137	0.2
123.00832	0.2
125.02361	2.8
127.03919	1.7
143.03403	7.0
147.04468	0.9
153.01842	100.0
153.02910	5.6
154.02159	1.9
159.04385	0.2
184.55461	0.2
191.03386	0.3
197.32475	0.2
205.04974	0.3
212.99835	0.3
213.03992	0.5
219.02850	0.2
222.61963	0.1
233.04405	0.5
237.04022	0.6
243.03183	0.2
261.03937	0.5
279.05066	1.0
279.20477	0.2
283.12289	0.2
297.05991	0.5
305.02524	0.2
390.30588	0.2
449.06973	1.1
471.80249	0.2
543.09216	0.2
559.20630	0.2
588.21899	0.2
619.09131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03944	0.9
54.12739	0.8
55.01871	1.2
55.05498	1.3
67.05500	1.6
70.03320	1.4
70.03653	2.0
74.36791	0.8
77.03904	1.1
79.05503	2.3
81.07060	1.3
91.05498	2.5
93.07038	1.1
94.06562	1.5
95.05000	2.1
96.08131	2.4
105.03373	1.0
109.10137	1.3
110.06033	1.6
118.06554	1.2
120.08096	1.0
122.06030	1.4
123.04430	46.4
124.07589	3.6
135.04424	1.9
135.08194	0.9
136.07573	2.3
137.02345	2.7
138.05498	1.4
146.06017	1.5
148.07593	1.2
150.05496	5.1
150.84200	0.9
152.07047	10.5
153.01857	9.3
163.03966	2.2
164.07083	5.5
164.08307	0.9
165.05490	1.1
166.08636	8.7
167.03394	7.2
168.06587	9.9
180.06596	3.2
184.09972	3.9
191.03380	13.2
192.06580	7.7
192.60138	1.0
194.08083	1.9
195.09232	1.6
197.10727	6.6
203.03403	1.4
209.04451	1.3
209.10703	1.1
210.07616	19.5
211.12260	1.7
213.10234	2.4
219.38654	0.9
219.97253	1.0
225.10229	7.7
228.08958	1.0
237.10291	2.9
238.11015	1.4
239.08115	1.2
239.11772	5.5
241.09714	4.3
242.10692	1.1
243.11255	1.3
255.11195	2.7
256.08392	6.0
257.12836	3.9
265.09735	6.8
267.11346	2.5
269.09125	4.9
273.12390	2.8
279.11230	1.1
281.09305	1.0
283.10800	5.2
285.12296	9.2
286.12924	1.3
289.15524	2.1
293.09192	27.1
299.10233	1.2
299.13803	1.3
300.10883	2.3
301.07092	7.4
301.11749	7.3
303.13412	2.0
307.10938	1.7
311.10257	8.5
315.13367	20.8
316.13333	1.1
317.14960	25.2
327.13446	5.9
329.11319	6.1
335.10400	1.4
343.12875	2.7
345.14450	24.5
346.15051	1.2
353.11292	3.8
363.15414	2.0
371.12369	100.0
372.12726	3.6
389.13284	2.6
435.10483	1.1
468.21231	15.2
469.21158	1.5
470.22879	18.0
494.19165	12.6
495.19147	1.2
496.20694	30.7
496.84540	0.9
512.20129	1.5
514.21606	4.2
619.26990	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	619.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.0
57.03437	0.6
65.03923	0.4
67.05506	3.4
69.03429	0.5
69.07078	0.9
69.19523	1.1
69.19935	0.8
69.66637	0.3
71.04980	0.4
79.05476	1.7
81.03432	1.2
81.07051	3.1
83.04996	1.3
83.08627	2.3
85.02905	1.4
85.06519	0.5
86.09698	0.3
87.04470	0.4
91.05476	2.9
93.07045	3.0
95.04980	2.0
95.08598	1.9
97.06536	0.9
97.10152	0.4
104.10758	2.2
105.07030	3.2
105.11062	0.5
106.07380	0.4
107.08612	2.1
109.06544	0.7
109.10179	1.1
111.08095	0.5
113.87635	0.3
117.07018	0.7
119.08591	2.1
120.08899	0.8
121.10160	1.9
123.08181	0.5
125.09651	0.4
128.06300	0.4
129.07013	0.5
131.08546	1.6
133.10078	1.8
135.08098	0.7
135.11636	0.4
137.09651	0.3
142.07788	0.7
143.08551	1.0
145.10104	1.6
146.10481	0.4
147.08089	0.4
147.11714	0.9
149.09604	0.3
153.01871	0.5
155.10741	0.4
156.09300	0.4
157.10129	2.0
158.10529	0.7
159.11688	0.9
163.11267	0.4
167.08572	0.5
167.10689	0.5
168.09346	0.3
169.10153	0.6
169.43582	0.4
171.10083	0.3
171.11671	0.7
175.11197	0.5
179.47612	0.3
180.95805	0.3
181.10297	0.4
181.12289	0.6
182.10817	0.5
183.11687	0.6
185.13406	0.5
193.10310	0.4
193.12216	0.7
194.11110	0.3
195.11607	0.6
197.13280	0.7
198.96857	0.4
208.12325	0.5
209.13306	0.4
212.15123	0.4
215.14429	0.4
216.59071	0.3
223.14771	0.4
233.15460	0.7
251.12607	0.9
255.17471	0.6
271.20416	0.5
283.01987	1.1
307.15256	1.1
335.21918	7.6
391.24460	2.8
619.38123	100.0
620.38525	5.1
635.03491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.03452	0.6
60.85699	0.4
61.65222	0.4
65.03952	0.5
67.05511	3.2
69.07078	1.1
69.83271	1.5
75.15424	0.4
79.05495	1.6
81.03429	1.6
81.07066	3.2
83.08622	1.0
84.94844	0.5
85.02902	0.7
91.05492	2.3
92.05532	0.4
93.07060	1.6
95.04983	0.8
95.08622	2.0
105.07074	1.5
107.08614	1.0
109.10170	0.8
119.08568	1.0
121.10153	0.9
133.10153	0.9
147.11697	0.9
190.13156	0.4
200.78252	0.5
217.40048	0.4
251.12547	1.2
283.01892	6.8
307.15265	1.1
335.21896	4.5
336.22546	0.5
337.27548	1.2
384.24966	0.4
391.24460	2.4
543.18414	0.5
601.37268	0.7
602.14856	0.5
619.38196	100.0
620.38568	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	619.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.32940	0.5
56.81212	0.4
56.81520	0.5
57.03453	0.6
57.07067	0.6
61.06329	0.5
67.05513	3.1
71.04995	1.2
79.05502	1.2
81.07063	3.1
87.04481	1.5
91.05486	1.6
93.07037	1.9
95.08615	2.1
105.07010	0.6
107.08588	1.2
109.10174	0.6
114.31213	0.6
115.34367	0.5
115.76958	0.5
117.07053	0.6
119.08576	0.8
120.90701	0.5
121.10178	1.1
123.11723	0.7
131.08568	0.8
133.10107	1.0
135.11717	0.8
159.11684	0.5
224.60738	0.5
267.15683	3.2
271.14877	0.5
278.18890	0.5
301.20752	0.5
319.22409	1.7
323.18253	3.0
375.25150	1.7
505.38983	0.6
529.35101	1.5
619.41815	100.0
620.42163	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	620.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19993	0.7
54.61201	0.8
55.01857	1.0
59.09863	0.8
59.73421	0.9
67.05499	1.0
69.03427	2.2
69.48169	2.7
69.48579	2.0
81.03433	2.1
81.07028	1.0
85.02901	9.0
86.56028	0.8
86.65066	0.8
95.01318	1.0
97.02871	3.5
109.02856	1.3
110.76486	0.9
113.02379	3.7
123.04462	3.1
125.02368	1.3
126.03135	5.9
127.03906	2.9
135.11687	0.9
141.01831	9.8
141.24646	0.8
145.04955	1.9
153.01768	1.5
167.03426	4.6
168.03764	1.3
191.03392	2.0
203.03358	4.1
204.04047	1.0
231.02881	3.9
232.03575	2.0
234.09457	0.9
241.01291	2.7
257.00858	1.6
259.02429	4.5
260.03198	3.0
269.00748	1.9
271.99570	1.1
273.00400	1.7
283.99521	2.9
285.00366	3.0
286.01181	2.9
287.01859	12.4
294.91287	1.0
299.99127	1.1
300.99744	4.5
301.03430	6.3
302.00580	5.4
315.01340	44.3
316.02133	21.2
317.02917	13.0
371.12329	1.8
441.04526	100.0
442.04718	2.9
540.92877	1.0
543.08966	0.9
589.97626	1.1
619.28320	3.5
620.28528	3.0
621.29321	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	620.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31591	1.0
59.62292	1.0
67.05508	3.5
69.03432	2.9
69.07053	1.6
69.24691	1.0
69.47034	5.2
71.01360	5.9
71.04991	70.9
84.64161	1.0
85.02950	1.1
85.06568	0.9
89.02394	28.1
95.04963	7.9
98.22748	1.4
99.09034	1.1
113.06006	89.7
127.53680	1.0
131.07036	89.8
149.08096	33.7
151.88692	1.0
153.01811	7.0
154.02202	2.2
173.08044	2.0
243.12437	1.3
261.13333	100.0
262.13660	1.7
423.18283	1.5
446.73712	1.1
466.10956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.24802	0.7
55.01871	0.8
55.05508	5.4
57.03437	7.1
57.07074	0.8
59.04989	2.1
61.02916	3.1
65.03943	1.1
65.89628	0.6
67.05505	55.5
68.05852	0.8
69.07069	6.9
71.04988	2.7
73.02925	1.2
78.66669	0.7
79.05497	9.4
81.03408	1.4
81.07057	28.6
83.04973	1.9
83.08616	7.3
85.02901	2.8
85.06548	2.5
86.54580	0.7
87.37537	0.5
91.03943	1.5
91.05487	7.6
93.07045	18.5
95.04984	2.2
95.08607	7.6
97.02910	1.2
97.06525	3.5
97.10143	0.6
98.23464	1.1
99.08100	1.1
99.13982	0.6
105.07024	1.5
107.08601	9.9
109.06535	0.8
109.10159	43.9
110.10483	1.1
111.08077	3.8
117.07028	1.6
119.08584	3.7
121.10159	5.4
131.08514	3.2
133.10124	2.6
135.11716	3.2
137.09636	2.2
149.02425	0.9
149.13249	10.9
150.13792	0.6
155.10680	3.1
159.11723	3.7
173.11732	11.7
177.12727	1.3
193.04967	1.3
195.13782	4.9
202.71075	0.6
211.13287	0.9
229.14345	36.4
230.14859	1.0
258.06689	0.7
269.17480	31.1
270.17892	1.5
365.50140	0.7
423.27399	100.0
424.27792	6.6
441.31409	0.6
540.08765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43457	0.3
50.52832	0.3
54.98629	0.3
55.57244	0.3
56.96568	14.2
61.19467	0.3
69.51410	1.4
69.51789	0.4
74.97644	0.4
81.00220	0.4
84.40511	0.3
85.85502	0.3
97.02885	0.5
98.23550	0.4
98.97583	68.1
100.99146	6.3
110.97569	3.0
112.99158	0.3
113.93350	0.4
116.98621	19.5
119.00177	1.8
124.99123	4.3
128.98607	3.3
134.99677	2.9
140.98636	0.5
141.02238	0.5
142.00414	0.3
143.00174	12.8
146.99640	0.5
151.00632	0.6
152.98621	0.9
152.99733	0.4
153.01840	0.4
158.99651	7.0
159.03267	0.7
160.99864	0.5
161.01224	11.4
169.01718	9.7
170.99664	0.9
177.00722	4.3
179.02344	1.7
180.83380	0.3
180.97470	0.4
181.01656	0.4
185.01244	2.8
185.04892	0.4
187.02786	26.0
188.03160	0.4
189.00812	0.7
189.98001	0.4
191.14586	0.3
191.52129	0.3
199.02773	0.8
201.00758	1.5
203.02248	5.1
203.05978	0.6
204.44656	0.3
205.03842	14.3
208.98915	0.5
210.04321	0.5
211.02774	38.1
212.03004	0.9
219.01764	7.6
221.03342	0.8
223.02864	0.5
223.04907	1.1
224.02798	0.6
229.03838	100.0
230.04207	1.5
233.03313	0.7
237.02788	7.8
238.02875	0.4
247.04897	44.3
248.05267	1.0
252.05556	0.8
255.04094	0.4
259.04858	0.8
261.02887	0.9
265.06015	2.4
268.05322	0.6
270.06519	0.6
271.04880	12.2
279.03766	0.7
289.05951	33.7
290.06259	0.5
307.06940	2.3
321.09048	0.4
329.05441	1.9
329.08945	0.3
330.06284	0.4
331.06900	0.9
336.47519	0.3
340.07266	0.4
347.06622	1.0
349.01520	0.7
349.08060	19.5
349.58066	0.7
350.08276	0.6
363.06003	0.5
367.03131	1.3
367.09125	24.3
371.06525	3.1
388.78375	0.4
390.10782	0.4
423.09604	2.2
438.32339	0.4
441.10706	1.6
473.09424	0.6
485.07788	1.7
485.58148	0.6
486.07541	0.5
583.12164	0.4
621.16943	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.05253	0.4
59.53959	0.4
70.72350	0.5
70.72673	0.5
71.84344	0.4
79.30888	0.4
132.33217	0.5
132.77467	0.4
133.97675	0.4
140.04637	0.4
300.15009	0.5
312.90366	0.4
374.15140	1.0
375.15976	0.8
376.17227	0.6
387.16238	1.1
388.16864	1.3
389.17630	3.1
390.18536	1.4
391.19153	0.9
399.15613	0.5
401.17926	1.0
402.18402	1.6
403.19354	5.5
404.19965	3.1
405.20697	3.5
415.19614	0.9
416.15744	1.1
416.20712	0.8
417.17020	3.7
417.21106	2.6
418.17117	1.0
418.22119	0.9
419.22284	8.7
420.22754	1.1
426.18796	0.5
429.16879	0.7
430.17804	1.3
431.18097	8.3
431.23627	0.8
432.18872	3.9
433.20087	3.3
443.18640	0.6
444.19943	0.5
445.20270	6.9
445.25061	0.5
446.20978	5.6
447.21765	8.4
448.22339	0.6
459.21994	1.9
460.18222	0.7
461.19824	1.7
473.19379	1.1
473.24597	0.6
474.20398	4.5
475.21262	5.9
476.21820	1.0
477.22824	0.8
487.21414	1.9
488.21994	1.3
501.22955	1.2
505.26193	0.9
533.25476	13.5
534.25641	0.7
546.22711	0.6
561.16162	0.9
561.24908	19.7
562.25348	1.7
593.27307	2.6
621.27039	100.0
622.27307	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90107	0.9
51.42245	1.0
62.86132	0.9
63.46921	0.9
69.40081	0.9
70.72712	1.3
123.07513	1.1
189.05437	1.0
204.22197	0.9
260.92963	1.1
277.22083	1.2
300.75824	1.0
375.15689	1.4
381.70859	1.3
387.16132	1.3
389.17496	6.5
390.18246	2.8
402.18961	1.9
403.19345	9.2
404.19876	5.7
405.20758	3.7
415.19641	1.7
416.15677	1.6
416.20422	1.8
417.16943	5.6
417.21002	6.4
418.21976	2.4
419.17767	1.6
419.22458	13.1
430.17789	2.9
431.17865	12.4
432.19238	4.5
433.20279	2.9
443.18567	1.9
445.20096	12.2
446.21057	10.6
447.21802	18.8
448.22388	1.6
459.17218	2.3
459.22348	3.5
460.18439	2.1
461.19543	1.8
473.19174	1.7
474.20435	17.4
475.21149	23.4
476.21780	2.3
487.21350	6.6
488.22055	2.2
491.20267	1.2
501.22928	3.6
505.26556	1.8
529.22809	1.6
533.25494	20.7
546.23071	1.6
561.24945	92.9
562.25464	6.9
589.24261	2.3
593.27838	3.8
621.27063	100.0
622.27277	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	621.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76528	0.1
54.47601	0.1
59.16488	0.1
67.19128	0.1
69.16825	0.9
69.36124	0.1
81.03419	0.2
81.07060	0.2
85.02921	0.2
91.05488	0.2
93.07046	0.2
98.23414	0.4
105.07027	0.2
109.10165	0.2
118.38612	0.2
119.08567	0.2
123.04456	0.3
133.10168	0.2
137.02422	0.2
147.04411	0.2
149.05733	0.2
153.01828	0.7
163.07396	0.2
191.03435	0.2
203.17947	0.1
251.12633	0.4
252.80885	0.2
301.07080	0.4
349.19281	0.1
367.20996	1.9
405.34344	0.2
431.91229	0.2
439.23865	0.1
467.25967	0.2
495.25705	0.6
505.20126	0.4
511.25092	1.8
533.23468	0.6
603.27887	0.5
621.28796	100.0
622.29120	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	621.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00860	0.3
68.46065	0.3
69.91476	0.3
70.05855	0.8
70.06239	0.6
77.08261	0.3
81.07051	0.5
90.77493	0.3
95.48667	0.3
98.22770	0.4
119.06829	0.4
121.02842	0.7
122.03160	0.4
123.04431	2.5
137.05997	0.8
153.01878	1.4
174.21584	0.3
179.07039	0.4
189.12065	0.4
191.03384	0.7
209.04579	0.4
251.12619	0.7
298.32904	0.3
344.71179	0.3
367.21048	3.2
459.27451	0.4
479.18918	0.7
495.25620	0.7
511.25189	2.5
533.23627	0.7
561.29285	0.7
621.28790	100.0
622.29022	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	622.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48445	0.8
53.68379	0.8
57.02274	0.8
66.23484	0.8
66.51125	1.1
67.05512	1.1
69.03420	1.8
71.04762	1.1
75.42234	1.0
77.03941	1.1
79.78441	0.9
81.07027	1.0
82.98415	0.9
95.04960	2.4
105.03395	1.6
109.10185	1.0
121.02895	0.9
123.04433	100.0
129.05496	1.9
133.06422	0.9
135.04445	3.7
137.02397	5.1
143.03310	0.9
145.02917	0.9
147.04437	2.2
151.46544	0.9
153.01836	15.7
153.02957	1.1
154.02164	1.0
163.03999	4.7
165.05473	4.3
182.90077	0.9
187.03868	1.1
191.03389	24.3
259.06110	5.0
287.05566	2.0
288.05817	2.3
301.07080	21.4
313.06998	1.5
435.10651	5.8
501.96402	1.2
622.28522	1.3
623.30536	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	622.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02390	0.6
55.01876	0.5
67.05498	0.7
68.99794	0.4
69.03417	0.3
70.59436	0.2
70.59786	0.2
71.45634	0.2
77.03937	0.9
79.01836	0.8
79.05491	0.4
81.03435	0.3
81.07079	0.2
89.03900	0.4
89.29550	0.1
91.05471	0.3
93.03380	0.4
95.04967	1.6
105.03387	1.5
105.04518	0.4
107.04971	0.8
109.02914	0.2
117.03400	0.4
119.04964	0.5
121.02903	0.2
123.04432	100.0
124.04778	1.8
125.02374	0.3
135.03458	0.1
135.04416	4.0
137.02354	5.5
137.03346	0.2
141.01820	0.2
143.03424	0.8
145.02849	0.5
147.04408	3.4
153.01833	13.8
153.02911	0.8
154.02219	0.3
161.02324	0.3
161.05951	0.3
163.03906	6.0
165.01819	0.9
165.05484	4.9
167.03506	0.3
171.04417	0.2
175.03972	0.2
177.01811	0.3
179.03275	0.1
183.02962	0.4
185.05975	0.2
187.03923	0.4
189.05487	1.0
191.03394	29.0
192.03766	0.8
203.03415	2.6
207.02841	0.4
213.05530	0.8
217.05019	0.8
241.04878	0.9
259.06012	4.6
260.06467	0.2
267.10626	0.2
271.06088	0.8
275.05539	0.3
283.06064	0.4
295.09601	0.3
299.05536	1.2
301.07071	26.1
302.07425	0.9
303.50235	0.2
307.06201	0.2
313.07062	1.7
325.07001	0.8
336.69879	0.2
393.09708	1.1
435.10785	9.4
436.11115	0.7
495.09467	0.3
605.13104	0.4
621.28766	0.5
622.29230	0.9
623.30322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48690	2.7
53.03931	5.7
55.01864	8.7
55.05511	18.9
57.03423	5.1
57.07059	3.7
57.15325	2.7
67.05499	45.2
69.03407	15.1
69.07066	17.6
69.28037	15.8
71.04993	25.6
71.08618	8.0
71.18839	3.0
74.73775	2.6
79.05482	31.0
81.03422	36.3
81.07061	66.4
83.04977	11.0
83.08616	11.2
83.70766	2.7
85.02908	13.3
85.10179	5.5
85.94113	2.6
90.98659	2.9
91.05489	27.6
93.07047	46.0
95.04973	15.7
95.08623	24.0
97.02865	15.5
97.06526	10.7
97.10165	5.7
99.04471	5.7
99.08076	8.5
105.07040	21.0
107.04946	8.9
107.08594	24.3
109.02878	28.3
109.06509	6.4
109.10133	7.2
111.04436	5.5
111.08083	11.5
113.06002	14.1
113.09626	4.8
117.07024	9.2
119.08573	13.2
121.06501	5.0
121.10135	20.2
123.08081	3.9
123.11703	5.5
125.09599	5.2
127.03914	27.3
129.07018	3.6
131.07060	12.9
131.08549	14.0
133.10135	19.4
135.08098	5.0
135.11658	13.8
143.08603	5.3
145.04980	4.3
145.06569	4.0
145.10124	5.2
147.08052	4.2
147.11667	10.4
149.13248	29.7
151.11172	12.0
155.08549	3.6
157.10078	6.8
159.11673	15.6
161.13275	4.1
161.15123	3.4
163.11179	8.3
165.12787	8.2
173.04446	4.9
177.12772	8.6
193.12183	3.4
195.13811	40.5
213.14854	22.6
233.15268	3.2
243.67903	2.7
259.20651	8.2
267.15979	5.4
271.94403	2.9
275.20074	4.2
277.21597	38.8
295.22842	6.3
303.15842	6.4
321.16876	12.9
339.18054	100.0
340.18539	3.4
345.16876	3.0
357.19095	12.2
369.24207	7.6
385.23767	3.7
403.24741	8.7
421.25711	13.2
443.27841	5.6
461.29199	26.5
605.32904	3.5
622.32721	4.5
622.48157	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	623.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
50.16932	0.4
50.42672	0.3
51.02391	1.0
53.03974	0.4
55.01883	0.8
55.15324	0.3
62.74949	0.3
65.03935	2.6
67.05523	0.9
68.99794	2.4
69.03439	0.7
69.43261	1.6
74.05906	0.4
77.03949	1.0
79.01862	3.0
85.02940	0.4
89.03934	0.4
91.05466	1.9
93.03412	4.3
95.01362	0.5
95.04971	1.5
97.02892	0.9
105.03394	1.4
105.04483	0.4
107.01338	0.6
107.04951	1.3
111.00824	4.2
111.04449	14.5
113.02348	0.4
113.28967	0.4
115.05470	0.6
119.04935	2.8
123.04434	100.0
124.04784	1.5
125.02325	0.9
127.03927	2.0
128.24132	0.4
133.06503	1.4
135.04402	3.3
137.02359	6.6
137.03366	0.7
137.05995	0.7
139.03906	78.7
140.04251	1.0
143.03398	3.2
143.04916	0.9
145.02881	0.6
145.06433	0.9
147.04413	17.8
148.05083	0.6
151.03915	10.1
153.01839	32.8
153.02946	2.5
154.02110	0.9
157.06522	0.6
158.50941	0.4
161.05995	3.3
163.03917	9.3
163.07552	3.9
165.01817	0.3
165.05478	6.3
169.04941	0.4
171.04341	0.5
179.03430	1.6
179.06992	0.6
181.04964	34.0
182.05315	0.4
183.02904	0.5
185.05995	0.8
187.03900	0.8
189.05478	13.4
191.03395	13.4
192.03732	0.4
199.07642	0.4
203.03391	2.1
203.07011	0.9
205.04976	0.5
207.02844	0.5
207.06578	1.2
213.05484	2.6
215.06902	0.4
217.05125	0.5
221.04393	2.8
227.07030	0.4
231.02977	0.4
231.06566	3.5
233.04434	0.6
237.05646	0.3
241.04941	1.0
243.06563	0.9
245.08031	0.5
247.06015	0.8
255.06543	2.6
259.06039	1.5
265.05072	0.7
271.05957	1.7
273.07584	44.2
274.07953	1.0
275.05637	0.6
283.05820	0.5
289.07220	0.5
291.08658	9.3
299.05554	1.0
299.09088	1.3
301.07114	2.8
307.06073	1.1
313.07172	2.1
317.06540	1.2
319.08142	5.6
325.07074	5.3
331.08044	1.4
334.05930	0.4
343.08130	4.2
375.08310	0.4
393.09436	1.4
411.11105	0.6
435.10806	4.4
443.09531	1.4
443.86768	0.4
453.11838	4.7
471.12766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27660	3.0
63.94324	3.0
98.22774	3.5
98.23325	3.3
128.89409	3.2
139.14650	3.5
145.79668	3.2
229.03902	3.4
331.07919	100.0
332.08401	3.8
354.16946	3.4
587.23883	3.9
589.69916	3.6
623.19427	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
67.05508	1.1
69.07053	0.4
79.05510	0.8
81.03413	1.0
81.07065	1.2
91.05497	0.6
93.07076	0.7
95.05013	0.3
95.08627	0.7
105.07029	0.8
107.08627	0.5
115.05444	0.3
117.07024	0.4
119.08600	0.5
132.08080	0.3
134.05966	0.3
144.08122	0.4
145.10133	0.6
155.08621	0.4
159.11736	0.5
161.06064	0.4
169.38640	0.3
180.07953	0.4
183.09253	0.7
184.09915	0.4
186.17900	0.3
194.09695	0.5
195.09222	1.0
195.26604	0.3
196.09932	1.3
197.10670	1.1
199.73183	0.3
207.09045	0.4
208.09944	0.7
209.10721	3.7
210.11433	2.2
211.08745	0.8
211.12238	2.8
212.13193	0.4
221.10715	0.6
222.11409	0.7
223.08727	1.0
223.12253	4.0
224.09560	0.7
224.13081	5.1
224.15149	0.4
225.10123	1.7
225.13766	2.3
235.08690	0.6
235.12370	0.5
236.09566	0.8
237.10283	2.8
237.13904	3.5
238.14783	1.2
239.11966	0.3
239.15483	1.7
240.16090	0.4
247.12219	0.5
248.12938	0.4
249.10347	1.0
250.11082	1.0
251.08229	0.4
251.11844	1.0
252.12492	0.6
253.13559	0.7
261.14001	0.5
263.08398	0.4
263.11646	0.3
263.15442	0.4
265.09793	0.6
265.13446	2.7
266.10684	0.3
266.13971	0.7
267.11179	0.4
267.14969	0.7
273.13519	0.3
275.20123	0.4
277.09784	1.0
279.11292	0.4
281.12924	0.4
282.13705	0.4
288.15005	0.6
296.11536	0.6
297.12497	1.1
299.15405	0.7
300.15421	0.4
302.16553	0.5
303.17554	0.4
305.09192	0.5
309.12549	0.9
311.13956	3.6
312.14969	0.3
323.10385	0.4
324.11319	0.4
324.14740	0.4
326.16714	0.3
330.19614	0.4
337.11874	0.8
338.12997	0.6
340.14655	0.4
342.16129	0.4
354.15897	0.4
377.17969	0.4
390.18466	0.4
391.19266	0.6
392.20328	0.6
403.15408	0.4
404.16083	0.8
405.16614	0.5
405.21039	0.7
412.84634	0.3
415.16428	0.4
417.17191	0.9
418.17487	1.6
419.18332	1.6
419.23468	0.4
431.18738	0.8
432.19629	1.0
433.20352	2.1
434.21130	0.6
435.21500	0.4
444.20517	0.4
445.20502	0.6
446.21509	0.6
447.17975	1.0
447.22705	0.7
448.18350	0.7
448.23260	0.4
449.23776	0.7
454.17706	0.5
460.18640	0.6
461.19110	1.7
462.20346	0.4
463.21164	1.5
473.18701	0.4
475.21466	1.2
476.22055	2.0
477.22946	2.5
492.25171	0.4
503.24588	0.9
520.24634	0.8
521.25427	1.1
522.25592	0.4
525.36078	0.5
531.24072	1.0
533.22101	1.1
534.22913	0.7
535.26569	3.7
548.23975	2.5
549.24695	0.7
563.26532	19.7
564.27069	1.3
591.26105	3.0
594.23956	0.4
595.28754	1.0
623.28607	100.0
624.28888	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	0.4
98.22586	0.4
99.40929	0.3
147.42896	0.4
213.26895	0.4
214.02934	0.4
375.16125	0.6
377.17514	0.5
380.65161	0.4
388.16595	0.4
389.17654	1.0
390.18454	0.4
391.19110	0.7
401.17599	0.6
402.18579	0.6
403.19467	1.6
404.20151	0.8
405.20889	1.4
406.21353	0.6
407.22336	0.9
415.19424	0.9
416.20425	0.7
417.16238	0.9
417.21585	1.8
418.17337	0.5
419.17560	0.6
419.22913	2.1
420.23251	0.7
421.24353	0.4
429.21176	0.6
430.17807	1.1
431.17850	2.0
431.23679	0.5
432.18878	0.6
433.20071	4.1
434.20050	0.4
435.21552	0.4
443.18719	1.3
444.19022	2.2
445.19788	3.0
446.21118	1.4
447.22086	3.4
448.22662	0.6
449.23245	0.5
458.20932	4.1
459.21579	3.4
460.22614	2.6
461.19302	0.5
462.20297	0.6
463.21417	1.3
473.23627	0.5
475.20737	0.5
476.22076	0.8
477.22992	1.2
480.55075	0.3
503.24271	0.4
504.25928	0.4
517.22754	0.7
518.23035	3.5
519.23822	0.5
521.22156	0.8
531.24054	0.4
533.25452	5.2
534.26379	0.6
535.27661	0.8
545.25549	1.5
546.26550	0.6
563.26349	5.3
564.26776	0.7
573.24927	0.5
605.27557	7.7
606.27258	0.6
623.28595	100.0
624.28796	6.8
647.60266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
54.25303	1.0
55.01855	3.6
55.05515	16.6
56.79235	0.9
57.03434	6.0
57.07050	1.5
57.11640	0.9
57.82893	1.0
61.02926	17.7
65.03924	1.9
67.05502	33.6
67.05862	1.9
69.03418	4.5
69.07068	13.4
71.04987	4.6
72.80322	0.9
73.02906	4.5
79.05040	1.6
79.05492	28.1
81.03417	8.7
81.06564	1.6
81.07056	32.8
83.04983	4.1
83.08614	8.8
85.02904	17.3
85.06554	2.0
87.04501	1.2
91.03961	8.0
91.05478	41.4
92.13841	1.0
93.07036	29.7
94.07382	1.0
95.04967	9.6
95.08609	19.9
97.02886	8.7
97.06522	5.5
97.10153	4.3
99.04463	1.8
99.08078	1.2
103.05470	1.5
105.04523	1.4
105.06355	1.7
105.07030	29.2
107.04958	5.1
107.08595	13.6
109.02862	2.3
109.06553	6.5
109.10151	7.9
111.04459	1.3
111.08051	2.0
113.06086	1.1
115.05447	2.7
116.06201	1.2
117.07016	23.6
119.04970	0.9
119.08575	18.7
119.51191	1.1
121.06532	5.5
121.10140	10.4
123.08043	1.7
123.11700	1.7
125.09647	3.3
127.03940	2.5
128.06238	6.7
129.06996	30.3
130.07755	1.6
131.04929	2.5
131.08565	30.5
133.06487	4.9
133.10126	12.0
135.08012	4.8
135.11681	4.1
137.09592	3.0
139.07558	1.2
139.11189	1.6
141.07007	13.0
141.08064	1.8
142.07745	2.4
143.08566	24.1
145.05115	1.3
145.06471	8.1
145.10136	14.4
147.08022	6.9
147.11688	6.0
149.09644	4.9
149.13289	2.2
151.11191	1.8
153.06998	2.8
154.07767	1.1
155.08549	17.3
156.09363	1.6
157.06416	2.4
157.10118	14.0
158.10811	1.1
159.08028	4.7
159.11668	7.8
161.09636	3.0
161.13240	1.3
163.11134	1.1
165.07010	2.9
166.07805	1.4
167.08554	9.1
168.09177	1.1
169.06467	1.0
169.10107	13.7
171.08023	3.0
171.11703	7.6
173.09578	2.7
173.13268	2.6
175.11206	3.1
177.12747	2.3
179.08508	3.2
181.10080	9.6
183.08035	1.4
183.11658	6.9
185.09621	2.7
185.11777	1.3
185.13220	6.1
187.11168	1.8
187.14801	1.7
189.12755	1.7
193.10141	4.9
193.12238	3.1
195.11734	8.1
195.13437	1.4
197.09714	1.6
197.13246	6.2
199.11171	2.5
199.14856	3.0
201.12762	2.6
201.14624	1.1
203.14317	1.6
205.10130	1.7
206.11073	1.1
207.11649	3.1
209.13243	6.7
211.11171	2.8
211.13118	2.4
211.14835	3.3
213.12814	3.2
213.16325	1.8
215.14284	4.7
217.15926	1.8
219.11723	1.2
221.13251	6.3
223.14751	4.0
225.12811	2.5
225.16339	1.2
227.14334	2.7
229.14133	1.1
229.16122	1.3
231.13811	2.1
231.17424	1.0
233.13208	1.2
233.15273	1.2
235.14842	3.6
237.16460	1.4
239.14305	4.0
241.15932	2.2
243.13934	1.6
245.15373	1.9
247.14882	1.4
249.16515	2.2
251.14317	1.3
253.15848	3.0
255.17303	1.1
257.15347	2.7
259.17020	1.3
271.16956	3.2
273.18491	1.2
285.18558	1.9
293.18817	1.0
303.19513	1.2
311.49237	0.9
323.23676	4.5
333.22089	8.5
341.24561	6.8
351.23163	30.5
352.23337	1.4
359.25897	1.4
369.24255	29.6
370.24503	2.4
387.25287	18.0
407.25867	2.2
415.28348	1.6
425.26828	6.3
433.29578	1.5
443.27911	100.0
444.28146	4.9
461.28986	79.8
462.29221	4.0
485.29218	2.7
503.29901	2.6
569.30737	2.2
587.31989	2.5
605.32831	1.4
623.34467	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	625.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01866	0.4
55.05508	0.6
57.03442	1.5
61.02930	3.6
61.69222	0.3
67.05504	8.4
67.58429	0.3
69.03436	2.5
69.07068	1.3
69.08367	2.0
71.04982	0.8
73.02913	2.7
79.05491	1.8
81.03425	2.3
81.07061	5.2
83.05002	0.8
83.08612	1.6
85.02920	3.0
91.03945	2.5
91.05473	1.8
93.07029	3.1
95.04967	0.6
95.08622	1.3
97.02893	3.2
97.06537	0.9
99.04481	0.6
99.08153	0.4
101.02356	1.6
103.03997	0.4
105.07032	1.1
107.08586	2.2
109.02902	0.5
109.06537	0.5
109.10149	5.1
111.08083	0.7
115.03936	0.4
116.73463	0.3
117.07030	0.8
119.08585	1.0
121.10149	1.2
123.11689	0.4
127.03954	1.8
131.08595	1.0
133.10123	0.6
135.11716	0.4
137.09647	0.3
149.13232	1.9
155.10684	0.6
159.11758	0.7
173.04469	0.3
173.11746	1.7
173.13127	0.3
177.12746	0.7
185.04286	0.5
195.09943	0.9
195.13858	0.9
197.64468	0.3
229.14386	0.7
235.13005	1.0
243.08324	1.8
269.17487	1.8
291.15637	0.3
413.17725	6.6
413.22369	0.5
445.29825	0.6
453.20963	7.5
454.21542	0.5
463.31229	1.5
485.30139	0.3
526.03851	0.3
607.34814	0.9
625.31921	100.0
626.32239	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	625.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01860	1.5
55.05519	8.2
57.03438	1.9
57.07047	1.0
65.03923	1.1
67.05502	20.0
69.03437	1.4
69.07070	8.6
71.04995	1.8
77.03910	1.3
79.05498	17.4
81.03415	1.7
81.07058	24.7
83.04985	2.6
83.08627	5.5
85.02896	1.4
85.06534	1.7
89.50219	0.9
91.05486	22.9
93.06527	1.4
93.07051	18.8
95.04963	4.3
95.08611	13.4
97.06543	3.1
97.10159	2.9
98.98470	2.3
99.08110	1.1
103.05460	1.1
105.04537	1.7
105.07034	24.9
107.04942	1.8
107.08596	11.6
109.06514	2.3
109.10176	6.0
111.08067	2.0
115.05453	1.4
117.07001	10.9
119.08585	15.0
121.06480	2.0
121.10168	6.3
123.08099	1.1
123.11710	1.1
125.09626	2.5
128.06227	1.9
129.07031	9.5
130.07919	1.0
131.08571	21.0
133.06462	2.4
133.10126	10.2
135.08028	2.9
135.11681	4.2
141.06984	3.4
143.08583	10.9
145.06512	1.7
145.10121	11.1
147.08014	2.3
147.11691	3.2
149.09627	1.8
149.13289	2.1
155.08580	5.6
157.10162	6.5
159.08119	1.1
159.11676	5.9
161.09601	1.4
161.13298	1.1
167.08586	1.5
169.10155	4.3
171.11722	6.0
173.13242	3.9
175.11197	1.7
181.10123	2.7
183.11676	2.9
185.13223	2.6
187.11188	1.2
187.14813	1.8
195.11711	2.3
197.13281	2.9
199.14871	2.9
207.11684	1.6
209.13271	2.6
211.14803	2.5
301.25406	1.4
325.25064	1.8
335.23532	2.0
343.26282	3.6
353.24677	7.6
371.25797	9.9
389.26828	10.2
427.28494	1.8
435.32111	1.5
445.29504	100.0
446.29602	4.0
453.33591	2.1
463.30518	26.9
464.30975	1.6
509.36063	2.1
527.29266	1.3
527.37274	20.1
528.38110	1.0
607.34332	2.5
625.33209	3.4
625.43701	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	625.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.05306	1.2
55.05514	15.0
57.03434	5.8
57.07081	1.3
61.02914	1.3
61.35496	1.1
65.03922	1.7
67.05504	36.3
69.03448	1.7
69.07070	10.8
71.04981	3.8
71.45540	1.4
75.05605	1.2
79.05050	1.4
79.05491	24.4
81.03400	3.2
81.07056	35.5
83.04959	2.3
83.08626	7.3
85.06544	1.7
85.68385	1.3
91.05478	34.3
92.01163	1.1
93.07042	29.3
95.04967	5.0
95.08599	23.6
95.09196	1.3
97.02903	1.3
97.06515	4.8
97.10172	5.0
103.05463	1.6
105.04517	1.8
105.07022	33.1
107.04942	2.8
107.08599	14.5
109.06515	4.1
109.10165	10.5
111.08042	1.3
115.05453	1.9
117.07005	16.6
119.08570	23.0
121.06484	3.5
121.10148	11.7
123.08083	3.4
123.11694	3.4
125.09613	1.4
128.06230	3.4
129.06989	12.3
131.08559	27.9
133.10107	14.7
135.08032	3.2
135.11685	4.6
137.09625	2.3
138.32210	1.3
141.06976	5.1
143.08549	14.8
145.06441	2.5
145.10129	19.1
147.08028	3.5
147.11679	4.5
149.09590	2.3
149.13226	3.2
155.08559	6.7
157.10124	10.2
159.08060	2.6
159.11723	9.2
161.09669	2.2
161.13284	2.2
167.08553	3.6
169.10107	7.1
171.11687	7.5
173.11832	1.3
173.13220	4.4
175.11252	2.2
177.12819	1.1
181.10109	4.6
182.93480	1.1
183.11656	4.8
185.09572	1.4
185.13275	5.4
187.11194	2.2
187.14828	3.7
195.11674	4.6
197.13232	3.4
199.14796	3.3
207.11740	1.9
209.13246	3.8
211.14783	3.3
213.16533	1.7
215.14435	1.6
223.14810	3.0
229.15959	2.1
233.15384	1.3
247.16919	2.1
273.18689	2.3
275.19971	1.9
287.20111	1.6
325.25345	3.1
343.26306	4.3
353.24719	9.9
371.25818	14.3
389.26889	14.5
427.28058	2.5
445.29480	100.0
446.29599	4.1
463.30542	57.2
464.30664	2.2
527.36890	4.0
533.39581	1.6
607.43420	5.3
625.33319	3.5
625.44385	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03946	4.8
55.01870	35.2
55.05510	30.9
57.03433	10.1
57.07075	3.8
61.26513	1.1
64.51536	1.3
65.03935	4.4
67.05503	75.7
69.03442	3.1
69.07067	91.3
71.04989	4.7
71.08629	1.6
77.03946	1.3
79.05494	58.5
81.03442	8.3
81.07055	82.5
83.04980	10.9
83.08620	15.5
85.06544	4.6
91.05479	78.7
92.05778	2.0
93.07040	63.6
93.23365	1.5
95.01332	7.7
95.04962	15.8
95.08603	51.1
97.06532	49.5
97.10175	6.4
99.08072	2.7
103.05455	1.9
105.04565	4.5
105.07027	82.3
106.07315	1.7
107.04953	22.9
107.08600	32.4
107.74104	1.4
109.06535	5.5
109.10160	16.9
111.08105	4.8
115.05451	2.7
117.07019	29.1
119.08578	53.4
121.06541	5.9
121.10149	22.5
123.08092	5.9
123.11722	5.9
125.09644	6.5
128.06247	5.3
129.07016	22.2
130.07774	2.0
131.08562	46.8
133.06497	3.2
133.10129	51.9
135.08067	5.2
135.11682	16.2
137.09601	3.7
139.11205	2.1
141.06982	9.7
142.07800	4.1
143.08562	26.2
144.09290	1.9
145.06474	3.5
145.10124	47.6
145.11215	2.8
147.08040	2.8
147.11685	32.2
149.09648	10.3
149.13235	10.4
151.11208	1.9
153.07034	1.7
155.08536	15.7
156.09393	3.5
157.10130	29.5
159.08144	3.2
159.11696	32.9
161.09631	2.1
161.13254	22.0
163.11192	8.2
163.14783	3.2
167.08638	5.5
168.09338	2.8
169.10101	20.6
170.10846	2.0
171.08025	3.1
171.10248	2.7
171.11655	26.5
173.13257	21.6
175.11182	4.1
175.14816	9.8
177.12781	5.4
179.14348	6.9
181.10107	10.8
183.11670	19.2
185.09619	2.1
185.13240	21.6
186.13573	1.6
187.11200	5.8
187.14798	7.3
189.12752	3.0
191.14320	1.9
193.10258	1.6
195.11679	11.5
197.13249	16.5
199.11168	2.1
199.14778	11.3
201.12750	2.7
201.16428	4.5
203.14351	2.6
205.12262	2.2
205.15865	1.7
207.11717	3.8
209.13242	11.2
211.14853	9.1
213.12686	2.1
213.16472	5.4
215.14415	2.0
215.17929	2.2
217.19597	2.3
221.13303	3.6
223.14847	5.4
225.16452	5.0
229.19437	1.6
231.17725	1.7
231.21129	4.6
234.14272	1.7
235.14870	3.8
237.16444	3.9
239.17961	5.9
241.14172	1.7
241.19493	22.7
247.14775	2.1
247.17186	1.6
249.16585	2.1
251.17946	3.2
257.18982	10.6
259.20560	26.5
265.19638	2.0
271.20685	2.2
275.20084	47.7
277.21674	4.7
279.16101	1.7
279.21085	2.7
293.21262	5.2
297.22137	3.8
309.22195	2.4
311.20276	2.2
311.23721	2.9
313.21838	3.0
315.23254	7.2
321.22226	1.8
323.23593	1.6
325.21793	1.7
325.25537	2.2
327.23322	2.3
331.22958	1.5
333.24210	27.5
339.23215	2.4
341.24734	1.7
349.23688	37.6
350.24158	2.2
355.26477	1.7
393.27911	1.7
409.30875	2.3
417.31992	2.2
419.33542	2.5
419.64053	1.4
421.30566	1.8
435.32626	5.8
437.34225	15.8
453.33804	3.6
455.35358	2.6
463.31985	2.7
481.33411	2.0
493.36411	2.5
501.35876	3.9
509.36420	6.1
511.37735	14.5
513.35681	8.8
515.39014	6.9
527.37207	10.9
528.37500	1.8
529.39026	7.7
533.39636	8.8
538.36951	1.7
550.35205	1.5
551.41254	9.1
555.37012	4.7
556.37335	4.3
589.42383	2.3
597.45050	4.1
607.43549	74.3
608.44238	8.0
625.44586	100.0
626.44965	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	625.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
55.01884	9.6
55.05516	27.5
56.90411	1.2
57.03439	5.5
57.07083	4.0
59.05012	1.8
65.03949	4.0
67.05159	2.6
67.05512	46.5
69.03427	1.8
69.07072	25.6
71.04996	3.6
73.06572	1.4
79.05505	32.3
81.03410	1.5
81.07063	49.2
82.60186	1.4
82.84624	1.3
83.05000	5.1
83.08612	11.4
85.06561	3.4
91.00636	1.2
91.05490	33.7
91.48171	1.3
92.76435	1.4
93.07053	33.2
95.04993	6.9
95.08611	34.0
96.08943	1.7
97.06532	7.4
97.10171	9.3
98.22571	2.8
99.08100	3.0
103.05431	1.7
103.37475	1.4
105.04526	3.6
105.07040	31.4
107.04979	2.7
107.08606	23.4
109.06538	3.8
109.10169	14.8
111.08118	3.0
115.05490	1.9
117.07025	16.2
119.08601	24.8
121.06532	2.3
121.10156	12.9
123.08028	2.2
123.11750	7.7
125.09666	5.2
128.06247	4.2
128.79163	1.6
129.07014	14.1
130.07811	1.7
131.08583	22.5
133.10133	20.7
135.08104	2.0
135.11691	7.0
137.09631	2.3
141.06993	3.1
142.07739	2.8
143.08568	17.7
145.06516	2.2
145.10165	22.1
147.11703	14.6
149.09627	4.4
149.13301	5.3
153.06989	2.1
154.07794	1.5
155.08517	10.6
156.09337	1.6
157.10164	18.6
159.11705	15.4
161.13258	7.0
163.11203	3.9
167.08621	5.1
168.09421	1.8
169.10146	14.2
170.10829	1.5
171.11705	17.0
173.13258	9.7
175.11215	2.2
175.14851	3.5
179.08580	2.5
179.14403	2.4
181.10115	6.6
183.11736	15.8
184.12155	1.7
185.13255	12.2
187.13342	1.7
187.14851	5.8
189.11230	2.3
193.10130	2.4
195.11674	8.3
195.13597	1.6
197.13275	9.4
199.14845	7.2
201.16418	4.6
207.11748	2.9
209.13280	7.6
211.14931	6.6
213.12819	2.2
213.16479	3.6
215.17966	2.5
219.11705	2.2
221.13359	3.3
221.15329	2.0
223.14902	4.1
225.16472	3.1
227.12907	4.1
227.18056	3.0
235.14980	2.6
237.16621	2.3
239.18025	3.7
241.19548	3.1
243.15877	3.0
249.16528	1.9
251.17947	1.8
253.19543	2.1
257.19095	3.8
259.20615	6.6
261.22311	2.0
271.20636	1.8
273.18607	2.1
275.20175	7.9
291.19623	2.5
297.22162	2.7
301.21887	1.5
309.22388	1.8
315.23181	2.2
321.22345	1.7
333.24466	3.4
337.25320	1.7
349.23929	2.6
365.28439	4.3
395.29269	1.6
401.27200	1.8
403.30301	1.6
403.75278	1.7
421.31345	4.2
439.32227	2.7
445.31018	2.0
495.34625	2.1
513.35785	15.1
515.39423	3.8
527.37469	6.0
533.39911	8.1
551.40826	5.7
555.37286	2.8
589.42725	2.9
607.43628	46.4
608.44086	2.0
625.44623	100.0
626.45038	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86139	2.3
52.77021	1.9
53.03948	5.6
55.01870	17.7
55.05513	27.3
57.03431	9.0
57.07071	5.7
59.02848	2.3
60.51193	2.2
65.03939	3.7
67.05506	62.0
69.03413	2.6
69.07068	46.4
71.04990	4.7
71.08625	3.0
76.64353	2.2
79.05492	48.2
81.03411	4.5
81.06570	3.7
81.07050	63.2
83.04987	8.9
83.08615	12.2
84.03239	2.5
85.06561	3.1
91.05476	56.5
93.07043	42.8
94.05616	2.1
95.04959	13.6
95.08601	44.5
97.06526	23.5
97.10201	5.8
98.22642	6.4
99.08115	3.5
103.05420	2.6
105.04527	4.6
105.07031	52.0
107.04975	8.4
107.08587	35.7
107.42696	2.6
109.06514	5.6
109.10140	18.9
111.08092	4.5
117.07023	22.1
119.08585	41.2
121.06493	2.9
121.10136	22.6
121.93591	2.2
123.08064	5.2
123.11750	3.2
125.09621	3.5
127.11321	2.2
128.06252	7.4
129.07008	19.4
131.08572	32.1
133.06488	3.7
133.10136	26.3
135.08081	4.8
135.11693	15.9
135.95222	2.8
137.13420	2.2
137.56599	2.2
141.07010	8.1
142.07777	5.3
143.08556	22.6
145.10127	28.7
147.08162	2.4
147.11661	20.6
149.09645	8.4
149.13301	6.8
151.11215	2.8
155.08572	11.4
157.10123	22.2
159.08141	2.6
159.11719	24.4
161.13309	9.4
163.11212	5.3
163.14784	2.6
167.08540	4.3
169.10115	13.2
171.11685	17.9
173.09612	2.5
173.13251	14.7
175.14857	6.9
177.12733	3.3
179.14415	4.9
181.10150	8.7
183.11696	13.9
185.13220	15.1
187.14835	5.5
189.12791	3.6
193.10213	3.3
195.11699	6.9
197.13206	11.3
199.14847	8.9
201.16394	3.5
207.11633	3.0
209.13306	7.3
211.14897	6.9
213.16423	4.5
221.13316	5.4
223.14937	4.9
225.16364	5.1
233.15410	2.4
237.16457	3.7
239.17963	3.1
241.19630	9.0
253.19673	3.0
255.17433	2.9
257.18970	4.3
259.20670	9.6
263.19983	2.9
271.20682	3.5
273.18640	3.7
275.20111	21.4
277.21527	2.4
283.20395	2.7
293.21124	3.5
315.23126	3.3
333.24158	10.8
349.23685	13.9
435.32498	4.7
437.34396	5.8
463.17197	3.1
478.19949	4.7
479.20804	4.1
499.34216	3.0
511.37881	4.5
513.35681	13.4
515.38855	7.2
527.37433	8.7
533.39948	9.5
551.40436	6.3
555.36462	5.2
556.37622	3.4
565.24304	10.6
589.42090	3.7
597.44507	2.4
607.43512	52.8
608.44299	4.5
625.26752	31.7
625.44543	100.0
626.26880	5.8
626.44641	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	627.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.96573	1.0
57.03450	0.5
69.03423	1.3
69.78293	1.2
70.43678	0.5
72.38593	0.6
77.00947	0.6
81.03424	1.4
82.99866	1.4
85.02921	3.0
97.02911	4.3
98.23061	1.4
98.97580	2.5
101.00889	12.5
101.01551	0.9
105.00406	0.5
107.04967	0.4
109.02911	1.8
110.97626	0.7
113.00865	2.4
114.26187	0.5
115.02458	0.5
116.98634	1.0
119.01935	27.2
127.02431	1.9
127.03934	0.5
131.01917	7.1
133.03476	0.7
135.04445	0.9
137.02962	3.0
139.02440	1.1
143.00206	0.7
143.01913	14.3
145.03494	7.8
147.01428	0.5
147.03284	0.5
147.04463	1.4
149.02992	0.7
153.01849	1.8
155.01892	7.8
157.03481	5.5
159.01434	0.8
161.02974	34.7
162.03133	0.7
163.04012	1.6
167.01918	2.1
169.03502	1.4
173.02980	12.3
174.03235	0.5
175.04588	1.4
179.01888	2.4
179.04056	0.7
185.02985	12.1
187.04466	3.8
191.04077	1.0
197.02969	16.4
199.04504	0.5
203.04021	6.6
205.03505	1.0
209.03035	0.8
210.03598	0.6
211.00960	1.1
214.95445	1.1
215.04019	2.0
217.03500	1.2
219.01804	1.2
221.05127	2.4
223.04530	3.2
223.50803	0.5
226.95348	0.5
227.00568	0.5
227.04144	2.5
229.03624	1.1
232.96483	1.3
233.03113	0.6
233.05093	0.8
235.04546	12.2
237.02765	1.4
241.05658	0.6
245.05115	15.6
246.05479	0.6
247.04767	2.6
253.05615	7.0
257.05038	0.7
263.06207	3.6
265.05685	1.4
303.01422	0.6
313.07660	1.6
330.93130	0.6
337.04526	0.6
347.08319	2.3
355.08765	100.0
356.04324	1.2
356.08920	5.5
372.94394	1.1
373.06055	1.1
384.94382	0.9
426.95737	0.5
465.08804	1.9
474.97403	1.1
509.67279	0.5
585.01038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.77392	0.6
54.00450	0.5
55.01862	0.6
55.05495	0.7
56.05853	0.5
67.05495	2.1
69.07062	0.6
79.05509	1.5
79.16172	0.5
81.03419	0.5
81.07048	1.5
83.11855	0.5
86.92482	0.5
91.05490	1.7
93.07066	0.9
95.04993	0.5
95.08607	1.0
105.07073	1.0
108.08091	0.6
119.08602	1.0
122.14014	0.5
133.10129	0.6
136.07574	0.8
146.09637	0.8
174.09128	3.3
183.09206	0.6
187.08646	0.6
187.12302	4.3
188.10764	2.3
190.05147	0.7
197.07149	1.0
197.10715	1.0
211.08687	1.0
212.09375	0.8
213.10266	0.7
215.11861	2.2
223.08601	0.5
223.12384	0.7
224.09454	0.7
225.10239	3.2
226.10916	0.6
227.11859	2.3
235.08673	0.8
237.10223	0.7
239.11897	2.3
241.13400	2.3
243.11296	19.1
243.13768	1.0
244.11613	0.8
247.08865	0.6
249.10295	1.4
251.11766	1.8
252.08969	0.8
253.09856	1.6
261.10217	1.1
265.09732	0.7
265.13513	0.7
267.11282	5.5
269.12845	1.8
271.44968	0.5
277.09808	1.6
279.11288	1.2
285.12228	2.4
291.11209	0.9
292.10858	0.6
293.13019	0.8
295.10971	2.7
299.14078	1.1
301.12451	0.9
301.15588	2.7
302.12885	1.1
304.11157	0.8
309.12323	1.3
314.12970	1.2
315.13635	0.6
316.11060	1.1
316.14377	1.0
319.10812	1.2
320.13934	1.0
325.15527	7.0
327.13449	5.2
328.10846	1.4
328.14542	1.3
329.11664	1.8
330.12347	2.1
331.13196	0.9
332.13989	0.6
332.17789	0.6
334.15509	1.4
342.12436	1.9
342.15997	1.2
343.13214	2.8
344.13995	2.6
344.17712	1.0
345.14865	1.0
346.15649	1.9
348.13330	2.6
351.13370	1.1
354.12479	1.0
355.12964	0.9
356.14044	2.7
357.14963	0.7
358.15451	2.8
359.16107	0.7
360.17075	0.8
362.15314	0.6
370.15640	1.9
372.16992	3.4
384.17474	0.8
385.18045	0.7
386.14618	1.0
386.18796	2.0
398.14948	1.1
400.16785	1.7
401.17856	0.7
403.16031	1.2
405.17020	0.8
407.14969	1.1
416.16281	0.7
417.17236	0.6
418.17593	0.7
419.19080	1.5
420.17200	0.9
421.17084	1.1
422.17963	0.7
428.16263	0.7
430.17682	1.0
431.18616	1.4
432.19257	3.3
433.20697	0.7
435.14496	1.7
436.19958	1.1
437.19791	2.2
447.21786	2.0
449.15863	1.6
449.20593	0.8
450.16571	1.2
451.16986	0.8
451.22156	0.8
459.18570	0.5
460.18600	1.1
461.23721	1.5
462.24908	1.1
463.22076	2.6
464.18631	1.0
464.30902	0.7
465.18823	8.7
466.19638	1.2
473.19568	0.6
476.19940	0.7
477.19006	1.2
478.20255	0.7
479.20523	4.4
480.21603	3.3
481.22113	3.3
489.23105	0.6
490.22552	0.6
491.20947	1.5
492.21448	2.3
493.23019	3.2
494.22913	0.7
501.19147	0.6
504.21277	1.9
507.24036	3.6
508.21014	1.2
517.22223	2.0
520.21143	1.2
521.21844	0.9
535.23328	4.5
537.21259	0.7
549.25122	8.7
552.23340	0.7
553.24359	1.3
563.22754	0.8
567.26001	50.4
568.26208	3.0
577.24323	1.6
595.25537	35.0
596.26044	2.0
601.67822	0.6
627.28101	100.0
628.28613	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	627.2818
Annotation	Xylocarpin G
Peak:m/z	Relative Intensity
50.14668	1.4
55.05506	3.1
67.05489	4.4
69.07054	2.8
73.54826	1.5
79.05486	6.4
81.07050	6.1
91.05466	5.2
93.07045	3.2
97.10155	2.1
105.07044	3.3
105.29255	1.7
107.08584	3.7
113.79533	1.7
119.08589	1.8
121.10194	2.7
133.10083	3.3
149.02295	2.8
193.58168	1.7
196.09950	2.3
197.07318	1.6
197.10847	2.5
210.11417	4.2
211.08571	3.9
212.09407	2.0
225.10184	5.4
225.13881	6.3
226.10921	3.1
227.11809	3.6
227.39667	1.9
237.10197	4.2
238.10948	4.3
239.11833	8.3
240.12529	3.6
241.09656	2.7
241.13390	7.6
243.11455	2.9
251.11868	2.9
253.09680	5.1
253.13373	44.1
254.10439	3.3
265.09583	2.7
267.11264	4.5
267.93054	1.8
268.11996	2.6
293.08942	1.9
295.10800	2.4
327.13391	26.2
328.14096	2.2
328.18591	1.7
370.15604	3.7
385.18295	2.0
391.82974	1.8
398.15027	3.9
402.18286	2.4
412.16547	23.3
413.17310	5.8
414.18179	2.6
430.17862	3.7
444.19016	3.5
465.19177	6.4
479.20602	2.9
493.22385	3.1
507.23346	2.0
517.22369	2.5
529.37927	4.3
535.23462	3.4
537.21405	3.3
549.24780	3.1
553.24170	4.9
567.26044	59.0
568.26190	2.7
595.25500	100.0
596.25458	4.7
627.17468	2.0
627.28003	48.2
627.44391	2.4
628.27802	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	27.0
55.05514	30.3
57.03437	13.4
57.07073	7.0
61.43900	5.1
65.03949	6.0
67.05504	93.4
69.07069	53.6
71.08636	13.2
73.48078	4.8
79.05492	82.1
81.03444	5.0
81.07062	93.9
83.04982	13.8
83.08614	22.5
91.05486	76.2
92.69420	4.0
93.07050	100.0
93.07610	9.7
95.01313	8.0
95.04984	16.6
95.08604	73.1
97.06541	37.4
97.10168	7.6
99.08098	10.5
105.07018	78.0
105.07635	6.1
107.04949	25.6
107.08595	42.8
109.06535	8.9
109.10159	19.4
112.50067	4.3
115.05479	5.7
117.07024	22.9
119.08581	39.4
121.10153	31.8
123.08118	4.8
123.11706	5.3
129.06987	8.7
131.08578	43.8
133.10136	46.7
135.11710	16.4
143.08533	10.1
145.10103	22.8
147.11707	19.2
149.09595	7.7
149.13271	10.0
155.08591	6.1
159.11726	18.8
161.13298	12.8
163.11205	7.3
163.14853	5.0
169.10089	4.8
171.11652	5.4
173.13290	13.6
177.12665	5.9
179.14320	13.9
183.11699	7.6
185.13277	5.4
187.14848	10.0
192.28458	4.9
197.13240	6.7
243.20967	8.2
246.38312	4.8
257.19016	4.9
261.22153	11.2
275.20026	55.5
331.69852	4.6
335.25711	34.8
349.23877	29.2
489.35413	5.3
529.38861	22.6
609.45172	63.8
627.46436	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.05515	12.7
57.03432	7.1
57.07087	2.4
65.03938	2.8
67.05511	27.0
69.07067	7.2
71.08617	13.3
71.38019	3.4
79.05502	27.6
81.03419	38.2
81.03882	1.8
81.07059	24.5
83.04964	7.3
83.08623	10.9
90.57649	2.4
91.05479	20.2
93.07038	22.5
95.04977	12.7
95.08601	18.8
96.65644	2.3
97.06540	4.6
99.08109	10.1
105.07011	15.9
107.04990	4.3
107.08611	15.4
109.06534	3.8
109.10163	9.9
111.08099	3.2
117.07051	3.5
119.08574	13.7
121.10095	14.8
123.11748	2.8
125.09741	2.8
129.06989	5.0
131.08571	7.8
133.10138	11.0
135.11705	14.6
143.08487	2.9
145.10123	3.6
147.11722	4.0
149.09630	5.3
149.13243	4.6
151.11214	3.2
157.10100	6.1
159.11726	3.7
161.13330	6.9
163.11215	5.3
165.12706	2.5
175.11203	4.5
179.14320	29.2
193.12230	7.5
216.53978	2.4
238.17542	2.3
267.15909	54.6
267.70282	2.5
277.21637	25.8
335.26288	2.9
351.25278	17.5
352.25070	2.7
496.26163	2.5
530.38922	2.8
543.28436	5.5
543.36798	100.0
544.36792	7.4
628.30945	3.2
628.46887	3.9
629.36072	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01868	4.9
55.05514	22.0
56.16214	1.8
57.03440	10.4
57.07086	3.1
59.30199	2.0
65.03941	2.5
67.05506	71.8
67.05869	3.5
69.03443	3.9
69.07072	21.4
70.60941	2.9
71.04997	35.2
77.95213	1.6
79.05493	47.7
81.03418	4.5
81.07060	100.0
83.04987	10.7
83.08622	11.6
83.38073	1.7
85.06562	8.5
89.19380	1.9
91.05486	53.1
92.05789	2.0
93.07048	45.0
95.04978	12.4
95.08610	24.5
97.06527	13.5
97.10135	4.0
99.08112	3.3
105.07035	23.5
107.05001	4.4
107.08596	28.2
109.06520	6.7
109.10148	9.9
111.08083	5.5
111.38476	2.1
117.07015	12.2
119.08585	15.1
121.06517	4.4
121.10155	12.6
123.08102	3.3
123.11698	11.6
125.09667	3.1
129.07065	3.5
131.08594	13.1
133.10139	31.3
135.08046	2.5
135.11679	10.5
137.09647	3.2
145.10133	7.6
147.11731	7.8
149.09618	7.3
149.13217	9.0
151.11215	8.4
157.10202	3.7
159.11696	13.4
161.13258	2.9
163.11165	5.6
171.00858	2.1
171.11650	2.8
173.13287	3.1
177.12772	6.5
179.76846	1.9
183.13867	4.6
187.13301	4.4
195.13788	5.5
201.14879	4.0
227.12926	2.9
243.15997	2.8
251.16557	1.9
255.16019	3.2
267.15857	2.5
269.17407	8.1
275.20013	16.0
285.16785	2.1
293.21014	3.3
299.65436	2.2
301.20032	18.6
345.68637	2.1
349.23727	12.5
423.27338	9.9
432.03760	2.3
437.28873	15.7
449.28946	9.6
451.30780	10.7
463.30569	5.9
481.31647	6.2
495.33197	40.5
517.35309	27.0
531.37073	2.4
543.36353	5.4
569.98309	2.2
575.38995	7.0
593.39996	3.8
628.46161	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	629.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77295	0.4
69.39548	1.7
74.02446	0.6
87.10893	0.3
91.05482	0.8
98.22590	0.4
98.23185	1.3
115.05458	1.1
117.05763	0.8
117.07008	1.0
118.06542	19.5
130.06511	1.3
132.08093	5.1
137.02357	0.8
142.06520	1.8
143.07312	2.5
144.04408	0.6
144.06940	0.5
144.08086	13.1
146.06004	60.2
147.06349	0.9
153.01831	0.5
153.41226	0.3
159.09167	5.4
160.07553	1.0
170.06020	4.6
188.07063	100.0
189.07390	2.0
205.09724	45.6
206.10074	0.5
433.43103	0.3
467.13489	0.4
467.18967	3.8
569.11481	0.5
629.24115	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	629.2729
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.05525	0.4
56.58706	0.3
56.73893	0.4
61.87127	0.3
67.05508	0.7
67.77876	0.4
68.70048	0.3
79.05515	0.7
81.07068	1.1
93.07038	0.5
190.65778	0.4
317.53714	0.4
469.25674	0.4
509.68594	0.4
531.40332	2.2
629.27307	100.0
630.27661	10.1
630.38245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82978	3.4
52.07196	3.1
53.03959	6.2
55.01871	9.2
55.05513	37.3
57.03452	3.8
57.07077	8.3
59.04974	3.4
67.05505	29.6
69.03419	25.8
69.07066	59.8
69.69008	3.3
71.04996	4.8
72.33554	2.8
73.83124	2.9
78.07571	2.5
79.05484	19.8
81.03406	33.3
81.07056	100.0
83.04978	13.0
83.08606	7.8
85.02921	8.8
85.06532	9.3
91.05483	13.0
93.07035	41.6
94.01570	2.9
95.04981	19.5
95.08605	58.3
97.02908	6.1
97.06526	14.6
97.10165	60.7
99.04472	3.4
99.08099	5.2
102.65566	3.1
105.07044	28.5
107.04965	5.8
107.08584	42.0
108.72034	3.2
109.02884	33.5
109.06537	11.2
109.10168	31.6
111.04445	8.4
111.08056	20.4
111.11729	14.0
117.07024	6.3
119.08596	22.7
121.06504	8.2
121.10159	31.6
123.04436	5.0
123.08019	5.5
123.11701	56.2
125.06066	3.2
125.09622	10.3
127.03933	19.3
131.08568	12.4
133.10112	19.4
135.08022	7.2
135.11679	21.9
137.09621	9.1
137.13235	5.8
139.11168	42.3
143.08620	5.6
143.10692	5.3
145.06557	3.7
145.10179	17.2
147.08061	9.2
147.11678	22.8
149.09645	9.4
149.13281	9.0
149.50662	2.8
151.11183	9.6
153.05489	6.3
153.12770	7.5
157.10178	5.8
157.12238	19.5
159.11703	14.8
161.09561	5.5
161.13257	12.0
163.11145	12.6
165.12729	9.7
171.06558	3.4
173.09607	3.4
173.13248	9.2
175.11160	5.9
175.14912	4.1
177.12703	4.3
181.04947	37.7
185.09654	6.5
187.11333	4.9
187.13304	5.7
187.14928	4.0
189.12750	5.3
201.16422	4.3
203.10818	4.2
203.12820	8.5
213.12819	4.8
247.17119	4.5
251.16350	6.9
265.18088	4.5
275.23669	5.8
285.22141	5.5
291.23190	7.8
303.23187	33.2
321.24243	26.2
339.25140	5.7
340.92194	3.6
345.24133	3.0
346.07629	3.0
349.11948	3.2
353.24939	2.9
383.25912	3.0
405.26511	3.4
411.25308	11.6
429.26379	31.9
435.27570	5.2
447.27386	52.0
448.28146	8.2
453.28622	4.6
465.28448	59.0
466.29181	4.6
483.29572	16.3
569.65033	3.2
629.28973	31.0
630.29791	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	629.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01856	4.7
55.05256	4.2
55.05510	60.7
57.03425	4.3
57.07070	6.7
59.85583	2.3
67.05211	3.3
67.05507	35.7
69.03431	22.9
69.07067	51.3
71.04990	8.4
71.89822	2.2
77.23099	2.5
79.05495	27.6
81.03421	36.9
81.07056	100.0
83.04994	12.2
83.08621	16.4
85.02897	8.5
85.06534	9.5
91.05473	19.6
93.07040	47.9
95.04970	32.0
95.08607	78.1
97.02897	8.2
97.06511	15.6
97.10168	86.2
97.59544	2.7
98.22720	6.3
99.04450	8.5
105.07027	42.8
107.04977	4.1
107.08591	43.7
109.02881	37.4
109.06522	15.0
109.10153	53.2
111.04434	8.6
111.08086	9.5
111.11709	7.8
113.05930	2.6
113.09725	2.9
117.07008	8.4
119.08559	29.2
121.06512	8.9
121.10155	38.2
123.04446	7.6
123.08076	9.4
123.11709	43.7
125.06003	2.6
125.09624	25.4
127.03922	18.8
129.07030	5.6
131.08575	13.5
133.06497	3.9
133.10091	14.9
135.08066	9.0
135.11687	22.5
136.37746	2.5
137.05975	3.9
137.09602	9.3
137.13243	8.5
139.11192	16.5
139.36649	2.6
141.09152	3.1
143.08548	7.4
143.10640	24.1
145.06464	3.2
145.10135	22.1
147.08047	6.9
147.11678	23.4
149.06003	4.1
149.09618	8.6
149.13248	13.6
151.07574	11.3
151.11157	8.1
153.01877	3.4
153.09111	3.1
153.12735	4.9
153.46095	2.5
155.08586	2.7
157.10155	7.8
157.12181	5.0
159.08057	4.6
159.11697	23.0
161.09630	6.6
161.13232	14.2
163.11186	9.2
163.14810	3.7
165.09099	6.2
165.12784	7.2
167.14314	3.6
169.10214	4.4
171.10249	2.9
171.11729	8.2
173.09605	7.3
173.13246	8.9
175.07663	3.1
175.11066	4.0
175.14819	7.4
177.12766	4.8
177.16331	3.3
178.46419	2.8
179.10622	3.9
183.11549	3.5
185.13158	4.8
187.11058	2.8
187.13272	6.5
187.14835	6.5
189.09032	3.2
189.11272	6.3
189.12785	5.6
189.16264	4.9
191.10661	4.2
191.14281	3.1
197.13248	4.2
199.14932	2.9
201.12772	3.4
201.16345	3.9
203.12749	3.7
205.15874	4.0
211.14793	4.5
213.12712	5.0
213.16393	3.9
215.14279	5.1
233.15349	2.7
245.15370	3.3
247.13451	3.6
247.16866	4.6
251.16391	3.4
267.21136	4.0
273.22150	3.5
275.23709	9.0
285.22052	3.9
291.23077	6.1
293.24573	6.4
303.23224	38.5
313.16348	3.3
315.14703	4.6
321.24249	22.2
393.24054	3.6
411.25168	9.7
417.26334	7.4
429.26331	32.5
430.26236	4.7
435.27573	3.0
447.27432	58.7
448.27744	5.5
453.28278	11.7
465.28488	56.8
466.28824	8.4
483.29364	17.9
504.43256	2.7
576.98987	2.8
600.26971	3.8
629.14490	5.5
629.28760	21.3
629.44318	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	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76720	2.7
53.03956	4.3
55.05301	2.4
55.05518	27.7
56.15777	3.1
57.03432	13.4
57.07061	8.4
65.03932	3.7
66.01630	3.1
67.05506	88.4
69.07068	27.2
71.04963	5.1
71.08266	3.8
71.08637	45.8
79.05494	73.6
81.07056	94.6
83.04971	7.7
83.08613	18.6
85.06547	3.4
91.05489	50.7
92.05838	2.8
93.07047	93.2
94.07390	3.0
95.04984	14.7
95.08611	63.4
96.08931	2.6
97.06526	12.3
97.10176	8.0
99.08092	21.1
105.07030	44.4
107.04943	6.4
107.08605	51.7
109.06542	3.4
109.10161	28.2
111.08100	4.1
113.09647	3.9
117.07016	12.8
119.08604	30.0
120.08895	2.6
121.06512	3.5
121.10150	37.8
123.08026	3.0
123.11697	4.7
127.11097	2.7
127.50716	3.1
129.07005	4.3
131.08568	18.2
133.10130	18.7
135.11703	34.8
137.09686	5.1
137.13237	3.8
137.97206	3.0
138.25581	3.0
143.08540	7.4
145.10110	12.5
147.11674	9.7
149.13243	14.6
151.11151	11.9
157.10138	4.9
159.11714	12.6
161.13242	18.8
163.11235	7.8
163.14807	8.9
171.11641	2.9
173.13226	9.2
175.14813	6.6
177.12708	5.3
177.16377	4.4
179.12836	5.5
179.14317	82.4
181.10260	3.6
185.13280	6.3
187.14783	6.5
199.14845	3.5
239.17967	3.0
241.19458	4.3
243.21118	13.6
261.22116	15.8
277.21680	57.9
317.24670	9.1
327.50043	2.8
331.95288	2.9
335.25842	64.9
336.25986	2.5
351.25311	48.0
515.36981	5.3
529.38300	3.8
531.40570	18.7
566.11926	3.1
611.46722	100.0
612.46802	12.7
629.47522	30.2
630.48047	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	630.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27151	0.9
53.03944	1.0
55.01865	1.7
55.05522	3.0
57.03442	1.4
61.02908	1.4
67.05505	3.6
69.03423	7.9
69.07063	5.9
69.57821	2.6
71.04990	7.8
79.05499	7.5
81.03422	1.7
81.07056	19.2
83.04985	8.9
83.08603	3.7
85.02903	14.8
85.06551	3.4
88.27461	0.8
91.05457	5.7
93.07042	23.1
93.07599	1.5
95.04956	7.0
95.08607	17.7
97.02901	2.9
97.06526	14.8
98.22820	1.1
99.04450	9.1
99.08094	0.9
101.06035	1.2
105.07027	15.0
107.04949	2.7
107.08588	13.4
109.02885	2.6
109.06518	14.7
109.10152	3.3
111.04453	2.1
111.08074	12.3
113.06022	2.6
115.07589	1.0
119.08557	8.3
121.06499	39.5
121.10158	2.3
122.06832	0.9
123.04440	2.0
123.08089	2.7
123.11700	6.1
125.05989	10.9
125.09615	0.8
127.03909	6.1
127.07545	6.4
129.07018	2.3
131.08583	3.1
133.06483	2.0
133.10118	9.4
135.04442	2.0
135.08076	7.2
137.02403	1.0
137.05995	2.7
137.09644	1.2
139.03957	2.2
139.07533	12.2
140.04222	0.9
141.05487	2.5
143.07021	8.1
143.08607	3.7
145.04939	1.6
145.10147	3.2
147.08075	3.1
147.11671	26.2
149.09636	0.9
149.13274	2.3
151.07526	0.9
151.11197	4.2
153.01868	1.9
155.08513	0.9
157.06508	1.0
157.08627	6.0
157.10153	9.5
159.06525	5.2
161.09602	1.6
161.13258	5.6
163.03937	1.0
163.11159	1.0
163.14828	1.0
165.12767	11.7
166.07771	1.4
169.12230	12.7
171.11679	9.0
173.09692	1.6
173.13271	1.2
175.07611	0.9
175.11169	20.6
181.10141	2.5
181.12296	1.4
187.06021	1.4
189.12761	13.6
189.14328	1.3
193.12242	21.8
199.11171	15.1
205.07068	7.2
207.13826	7.7
211.13286	18.1
211.15344	1.1
217.12233	47.3
223.13329	5.2
225.14928	1.5
229.14357	10.2
235.13278	51.0
236.13647	1.7
253.14337	100.0
254.14702	3.2
268.81885	0.8
271.15405	37.9
272.15833	0.9
289.16446	33.1
290.16763	1.6
303.05063	3.2
304.05325	4.0
374.12799	0.8
374.29691	0.8
379.17358	0.9
397.18555	7.7
415.19763	5.8
424.07468	1.2
433.20731	9.6
434.21222	1.1
482.66629	0.9
483.09216	3.4
484.09424	8.2
485.09213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.05511	34.3
57.07085	13.0
57.41103	4.9
67.05510	35.6
69.03437	20.6
69.07071	63.7
70.29844	6.7
70.30215	11.9
79.05506	24.2
81.03414	30.1
81.07056	94.6
82.88979	5.1
83.04974	12.2
83.08622	11.8
85.02908	10.1
85.06538	10.4
86.09712	21.1
91.05489	19.6
93.07033	68.8
95.04972	13.5
95.08606	100.0
97.02908	7.1
97.06538	14.6
97.10159	37.6
99.08113	6.6
104.10737	39.9
105.07047	37.0
107.04983	7.4
107.08585	62.1
109.02862	29.9
109.06536	9.6
109.10152	39.6
111.04455	8.9
111.08080	8.4
111.11724	15.9
113.17036	5.6
117.07025	6.8
119.08577	38.2
121.06503	9.1
121.10139	49.6
123.08064	7.3
123.11722	60.9
124.99973	7.4
125.09653	14.3
127.03909	16.2
131.08557	12.0
133.10143	22.9
135.07954	6.7
135.11691	25.1
137.09584	6.6
137.13272	16.6
139.11194	23.4
143.08553	8.0
145.10190	15.3
147.08043	5.5
147.11702	23.6
149.09613	7.2
149.13260	35.3
151.11110	9.4
157.10197	7.3
157.12230	12.7
159.11700	18.5
161.09576	9.2
161.13272	14.8
163.14807	10.7
173.09708	7.9
173.13268	9.2
175.14949	9.3
184.07324	18.9
189.16393	7.8
211.14905	5.2
213.12642	5.0
235.49353	5.5
259.24188	7.1
287.23752	6.3
305.24765	41.3
323.25867	16.8
389.26712	7.6
413.26868	29.7
431.27936	58.3
432.28391	6.2
437.28693	9.7
438.04272	6.0
444.90857	6.1
449.29028	82.8
467.30011	51.9
468.34738	7.6
630.30359	19.4
630.39709	11.5
631.30688	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27308	2.8
53.03963	3.6
54.20982	2.9
55.01838	3.4
55.05509	24.3
57.03428	11.2
57.07056	6.0
62.61719	3.0
67.05505	85.9
69.07065	20.4
70.58958	3.1
71.04990	45.3
71.08626	3.6
79.05497	53.9
81.03404	4.6
81.07056	100.0
82.08828	2.8
83.04972	12.6
83.08615	13.8
85.06540	13.0
88.13702	2.8
91.04945	3.6
91.05482	48.8
93.07036	55.0
95.04964	11.8
95.08601	37.7
97.06528	10.7
99.08083	5.9
105.07030	30.1
107.08598	30.4
108.08939	3.7
109.06509	11.0
109.10157	13.0
111.08083	7.5
116.50011	3.0
117.07011	12.3
119.08618	17.1
121.10144	11.2
123.11720	13.8
126.53503	3.6
127.43661	3.2
129.07059	3.4
131.08575	18.7
133.10150	32.3
134.83694	3.0
135.11678	14.0
139.11136	4.5
141.96698	3.6
145.10129	9.3
147.05327	3.0
147.11681	9.1
149.13243	22.5
151.11166	13.2
159.11673	13.3
161.13237	4.9
170.22220	3.3
177.12802	4.7
179.14429	3.3
181.10301	3.0
183.13780	14.6
187.13319	4.7
187.14932	3.2
195.13759	9.6
243.15849	3.8
243.20967	4.1
257.17413	4.4
261.22238	7.3
268.64758	3.4
269.17511	6.3
273.69128	3.6
277.21487	3.6
301.20148	12.6
335.25793	12.6
351.25095	3.7
451.30643	21.5
463.30466	4.0
485.36172	7.5
495.33093	33.3
503.31693	2.6
503.37399	23.9
511.38153	4.3
519.36432	6.7
529.38861	23.8
561.41187	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	630.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.9
55.05519	32.0
56.59237	3.9
57.03441	15.2
57.07077	4.9
59.69362	3.8
61.53952	4.3
63.62427	4.5
67.05510	76.0
69.03445	6.1
69.07080	15.0
71.04996	31.6
71.08638	17.8
75.05489	4.0
79.05501	44.6
81.03429	10.2
81.07065	100.0
83.04973	16.4
83.08642	20.3
85.06550	8.0
87.59303	4.6
91.05489	45.1
93.07051	59.2
95.04993	10.1
95.08627	30.1
97.06541	12.1
97.10202	13.3
99.08080	10.3
105.07056	32.0
106.81041	3.9
107.08611	30.9
109.06540	6.1
109.10181	17.4
111.08105	8.5
115.39063	3.8
116.69947	4.1
117.07020	9.0
119.08610	14.6
121.10142	9.7
123.08134	4.8
123.11725	11.8
125.09614	20.1
129.07065	5.3
131.08615	10.9
133.10118	23.2
134.66057	5.3
135.11746	15.5
143.08630	5.0
145.10114	5.0
147.11668	9.5
149.13235	10.6
151.11200	15.3
157.10069	4.9
159.11646	8.5
161.13289	10.1
163.11256	6.0
173.11812	4.1
183.13779	5.5
189.11229	7.1
193.12273	4.6
195.13814	4.9
218.16159	4.5
227.12744	27.2
269.17380	12.2
277.21674	12.7
301.16565	9.8
301.20078	14.6
335.25589	5.6
351.25214	21.0
417.44067	4.6
427.27029	23.5
437.28720	7.9
451.30719	6.8
495.33447	23.2
519.36768	36.0
527.37213	17.9
545.37952	32.2
577.40948	13.0
606.97473	4.9
630.35822	21.5
631.26428	5.5
631.37488	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	631.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01863	3.9
55.05508	24.8
57.00806	1.5
57.03433	3.2
57.07069	6.7
59.04982	1.3
65.03930	2.6
67.05504	28.6
69.03423	13.9
69.07069	42.7
70.45892	2.7
71.01371	1.5
71.04990	6.2
79.05495	17.5
81.03426	21.0
81.07058	100.0
82.07339	1.3
83.04972	5.1
83.08622	12.0
85.02914	4.1
85.06530	7.8
85.63779	1.4
91.05486	8.3
93.06440	2.2
93.07047	42.7
95.04447	1.9
95.04951	9.5
95.08607	72.5
95.11022	1.5
97.02883	9.0
97.06532	11.5
97.10170	21.8
98.66961	1.3
99.04482	3.0
99.08101	4.0
99.52409	1.5
105.04557	1.6
105.07027	25.7
107.04932	3.0
107.08598	48.5
109.02872	19.6
109.06512	4.2
109.10162	28.4
111.04436	5.3
111.08073	16.0
111.11725	7.4
117.06992	3.6
119.08572	18.7
121.06473	3.4
121.10147	31.7
123.08069	4.1
123.11707	57.0
125.09612	3.9
127.03918	12.9
129.07008	1.9
131.08571	6.3
133.10124	13.2
135.08028	2.8
135.11687	18.1
137.05962	2.6
137.09625	4.4
137.13245	19.1
139.11172	17.8
141.12717	2.7
143.08533	3.8
145.10120	8.5
147.08043	2.1
147.11719	12.5
149.09592	3.6
149.13255	31.1
151.11182	4.8
151.14822	3.6
153.12750	9.2
155.08527	1.7
155.14371	1.9
157.10152	5.4
157.12244	8.2
159.08090	1.6
159.11678	8.4
161.09637	4.0
161.13290	9.8
163.11096	3.5
163.14806	7.8
165.09137	2.6
165.12735	2.7
167.14304	2.1
169.10144	1.7
169.12204	5.0
171.11717	3.9
171.13831	3.2
173.09622	3.0
173.13266	5.3
175.11215	2.2
175.14828	4.6
177.12738	2.4
177.16367	2.8
179.14345	3.0
185.09720	2.1
185.13344	2.4
187.11295	3.6
187.13310	7.5
187.14825	2.9
189.12721	1.7
189.16379	4.5
190.67151	1.4
193.15912	2.4
195.13779	1.5
198.10405	1.7
199.14868	1.9
201.16469	2.8
203.10913	2.4
203.12793	6.2
203.18011	2.1
207.17403	1.6
209.15376	2.0
217.14270	2.0
217.19608	2.0
229.19485	1.9
231.13676	2.5
235.20607	2.0
245.15428	1.5
249.18671	1.5
268.27417	1.8
275.23676	3.7
277.25287	3.7
285.22421	1.6
287.23682	4.8
289.25275	3.2
293.24728	8.9
295.15515	1.7
303.23251	3.5
305.24738	27.7
313.16547	11.8
323.25867	12.2
331.17682	2.9
335.25885	1.9
347.25629	2.1
373.27417	2.2
389.27252	2.0
395.25760	4.2
401.26797	6.0
413.26819	11.0
419.27945	6.5
431.27991	17.7
437.28781	11.0
449.29010	22.8
455.29871	6.3
467.30075	19.4
473.31128	3.4
485.31259	7.1
523.05115	1.8
570.35773	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	631.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.0
57.07077	8.0
62.02300	5.3
67.05510	45.9
69.03430	12.8
69.07069	48.2
69.22494	34.2
79.05515	22.2
81.03020	5.7
81.03434	32.5
81.07063	100.0
83.08649	16.4
85.02903	15.4
85.06548	12.9
91.05486	17.3
93.07059	44.4
95.04979	17.9
95.08617	75.5
97.02892	11.7
97.06566	9.8
97.10201	25.2
100.73109	6.1
105.07069	26.5
107.08602	55.4
109.02894	19.3
109.10168	42.3
111.08102	11.6
111.11760	10.1
119.08566	29.3
119.77392	5.1
121.10174	44.9
123.04447	7.9
123.11716	47.4
125.09704	9.6
127.03974	18.9
131.08601	12.7
133.06525	5.3
133.10121	18.3
135.11707	19.3
137.13257	16.0
139.11212	21.7
145.10175	16.9
147.11714	17.2
149.09677	6.4
149.13246	29.3
157.12270	14.1
159.11739	11.3
161.13284	15.1
163.14845	9.8
165.12791	6.6
171.11827	6.1
173.13329	7.8
189.16406	8.5
204.19943	5.4
219.17618	6.7
287.23901	6.1
292.29990	6.0
293.24829	8.0
305.24847	27.4
323.25964	15.6
331.17300	6.1
345.20901	7.2
381.22614	14.5
413.26620	9.4
419.28012	8.3
431.28015	16.6
437.28964	8.4
449.28976	26.7
455.30081	13.1
467.30090	15.4
521.31281	5.9
631.30035	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	631.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.7
53.03951	5.2
55.01871	6.4
55.05516	25.4
57.03448	5.5
57.07081	8.3
65.03936	3.4
67.05506	35.7
69.03439	17.9
69.07071	39.9
69.13837	2.5
71.05001	7.7
79.01860	7.2
79.05499	25.7
81.03420	25.1
81.07058	100.0
83.04983	8.3
83.08600	15.1
85.02915	11.2
85.06567	15.0
91.05467	17.7
93.07050	80.6
95.04990	14.8
95.08611	83.5
97.02907	9.4
97.06548	16.7
97.10168	28.0
99.04424	4.1
99.08089	11.6
105.04518	3.2
105.07047	41.3
107.04984	3.2
107.08604	74.4
109.02870	16.7
109.06540	8.7
109.10159	57.3
111.04450	11.5
111.08099	20.1
111.11731	3.5
115.05431	2.7
117.07056	7.9
119.04932	2.7
119.08590	41.4
121.06504	3.8
121.10145	46.7
123.04437	8.6
123.08089	6.9
123.11726	36.2
125.02364	5.6
125.09644	9.7
127.03900	11.9
129.07010	3.5
131.08554	17.2
133.10126	30.7
135.08063	5.9
135.11697	30.5
137.02269	3.7
137.05980	2.9
137.09641	8.0
137.13260	9.1
139.11208	9.9
143.03419	7.6
143.08578	8.7
143.10699	6.2
145.10114	19.5
147.08102	3.6
147.11685	25.0
149.05983	2.8
149.09613	5.7
149.13272	51.8
151.03914	68.3
151.05020	6.0
151.07690	2.9
151.11177	14.7
153.01831	98.3
153.02954	7.0
153.12750	8.8
154.02107	2.6
155.08609	4.1
155.10689	3.3
157.10156	9.7
159.08133	3.3
159.11710	21.3
161.09637	5.1
161.13301	14.4
163.11194	7.9
163.14813	15.9
165.09149	3.8
165.12775	5.8
167.03398	17.5
167.14276	2.7
171.11720	7.6
173.13274	13.0
175.11166	3.9
175.14807	11.5
177.09052	3.2
177.12769	4.2
177.16365	4.0
179.10748	3.4
183.11693	3.0
185.09616	3.0
185.13254	5.2
187.11232	4.1
187.14854	9.5
189.11183	2.8
189.12758	3.5
189.16476	9.3
191.03424	7.1
191.14287	16.5
193.15982	4.4
195.02812	2.6
195.17496	2.7
197.13271	3.3
199.14850	6.3
201.16399	3.1
203.14413	4.3
203.17804	3.1
205.04900	2.8
205.12286	3.4
205.15881	3.1
209.13489	5.2
209.15311	22.8
211.14983	3.1
213.16388	6.6
215.14377	2.7
217.15952	2.7
218.01804	2.7
223.17012	6.5
231.17584	3.6
233.15253	3.6
235.16983	3.9
239.14453	3.6
243.91084	2.7
249.18471	6.0
251.05498	10.2
269.22614	6.5
275.23752	4.5
285.22018	4.9
287.23727	16.6
293.06723	4.0
303.23242	5.9
305.24744	25.1
317.17609	3.3
317.24826	2.4
323.25781	7.2
335.18558	4.9
353.19507	11.3
367.21338	4.9
371.20578	6.0
389.21768	2.8
389.26480	2.7
395.25790	6.6
413.26953	19.6
419.27820	5.1
431.27994	28.5
432.28348	2.8
437.28726	5.8
449.28979	39.5
467.30060	23.1
485.31509	4.7
631.29333	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	632.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03938	1.1
55.01862	0.8
55.05267	0.4
55.05511	5.9
57.03435	17.5
57.07062	0.8
61.02922	2.2
65.03933	1.1
67.05501	24.7
68.58492	0.4
69.03430	1.1
69.06709	0.5
69.07065	7.8
69.50691	1.8
71.01346	2.7
71.04994	2.5
73.02917	0.9
79.05488	24.2
81.03406	4.2
81.07053	22.4
83.04984	3.7
83.08616	8.5
84.56309	0.5
85.02895	2.3
85.06533	1.5
89.06042	0.5
91.03951	0.9
91.05476	10.3
93.07040	34.1
95.04967	3.6
95.08598	10.8
96.08979	0.4
96.22873	0.4
97.02892	1.3
97.06536	3.3
97.10159	0.9
98.23418	0.8
99.08083	0.9
103.05506	0.5
105.04498	0.5
105.07036	5.1
107.04950	1.7
107.08585	11.1
109.10149	5.5
111.08070	2.0
113.05939	0.4
117.07030	3.0
119.08564	2.8
121.06492	1.0
121.10139	22.4
123.08076	1.3
123.11720	1.0
125.09611	0.7
129.06990	0.7
131.08553	5.2
133.10118	2.8
135.08043	0.5
135.11700	1.9
137.63831	0.4
139.11159	4.4
143.08638	0.4
145.10158	0.7
147.11697	1.6
149.09619	3.8
149.13248	6.1
151.11186	0.6
157.35532	0.4
159.11707	3.3
161.13231	0.7
166.99124	0.4
167.10663	5.3
167.49771	0.4
171.11717	0.8
173.11720	1.0
177.12755	1.4
185.04712	0.4
195.13808	3.1
207.13860	1.3
213.14931	0.4
223.13335	1.2
229.14294	4.7
241.14322	34.4
242.14688	1.2
269.17447	15.8
270.17822	0.4
281.17468	2.6
435.27380	100.0
436.27744	4.2
579.31329	0.9
632.33411	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	632.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.63874	0.6
55.05511	6.6
57.03437	22.8
57.37470	0.6
61.02913	1.3
65.03945	1.0
67.05507	25.0
68.96419	0.6
69.03433	0.9
69.07073	7.0
69.95433	0.8
69.95750	1.6
71.01358	4.2
71.04983	2.0
77.03938	0.8
78.81419	0.6
79.05496	25.4
81.03416	2.7
81.07057	27.5
83.05003	3.6
83.08620	10.4
85.02901	2.4
85.06541	1.0
91.03941	1.0
91.05491	8.9
93.07043	37.7
95.04954	3.6
95.08602	11.2
97.02887	0.9
97.06519	3.4
97.84508	0.7
103.03930	0.7
105.04521	0.8
105.07027	2.7
107.04958	1.1
107.07920	1.2
107.08591	12.2
107.83427	0.6
109.10159	3.6
111.08084	2.4
117.07012	2.2
119.08549	1.7
121.09271	1.4
121.10146	27.7
123.08089	1.6
129.07018	0.8
131.08585	5.1
133.10139	3.1
135.11674	2.0
139.11166	7.1
147.11647	0.9
149.09592	3.8
149.13249	11.7
152.61223	0.7
159.11671	4.9
167.10695	6.2
177.12778	2.2
193.04955	1.0
195.13820	3.7
196.14430	0.8
228.23090	1.5
229.14461	2.1
229.23573	1.3
241.14343	43.4
242.14684	1.1
269.17471	26.1
326.94797	0.8
435.27426	100.0
436.27747	4.8
632.33105	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	633.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.5
51.02379	1.0
51.56508	0.1
53.00303	0.1
55.01871	0.2
58.49952	0.1
65.03930	0.1
67.05532	0.1
67.88815	0.1
68.99807	0.1
69.03448	0.4
69.40613	0.1
69.40937	0.4
77.96796	0.1
79.01859	7.8
79.05481	0.1
81.03405	0.2
82.60908	0.1
85.02903	0.5
91.05486	0.2
93.03349	0.1
93.82558	0.1
95.04959	0.1
97.02904	1.5
98.23152	0.3
102.02859	0.1
107.01320	1.6
107.04949	0.1
109.02895	0.1
109.10184	0.2
112.01327	0.1
115.05395	0.1
119.04951	0.1
123.00784	0.3
125.02360	3.4
127.03947	0.2
131.04955	0.8
133.02852	0.2
135.08032	0.1
137.09593	0.4
138.03146	0.1
143.03407	7.7
147.04413	0.2
150.03137	0.2
151.03931	0.5
152.01091	0.1
153.01839	100.0
153.02902	6.2
154.02127	0.9
157.04907	0.1
159.04407	1.3
162.03122	0.1
163.03886	0.1
163.07599	0.1
165.09087	0.2
166.02620	0.1
167.03403	1.8
167.04778	0.1
171.02890	0.2
175.03928	0.3
176.04691	0.9
177.01843	0.6
177.05463	0.2
178.02629	0.2
179.03415	1.3
180.00536	0.4
181.04956	1.2
187.03915	1.9
190.02673	0.1
191.03384	0.8
191.07054	0.4
192.04123	0.1
193.04985	0.4
194.02167	0.2
195.02907	3.1
197.04463	0.5
199.03958	0.4
201.05499	0.1
203.03380	0.3
204.04170	2.3
205.04926	0.6
207.02948	1.3
207.06512	0.1
209.04483	1.6
213.03949	0.4
215.03407	1.2
216.04132	0.3
218.01994	0.1
219.06537	3.7
220.06973	0.1
221.04459	0.3
223.06062	0.2
229.04900	0.2
231.06519	0.2
232.03687	1.3
233.04424	0.9
235.02388	0.1
235.06123	0.2
237.04021	0.5
238.09875	0.1
243.02838	0.2
245.04480	0.2
247.06029	6.7
248.06453	0.2
251.05492	1.0
255.05043	1.9
255.07523	0.2
257.04443	0.5
260.03140	0.7
263.05536	1.3
275.05515	7.6
276.05902	0.1
281.06775	0.2
293.06573	6.1
294.07053	0.2
305.02927	0.3
309.13214	0.1
311.07489	0.2
327.14471	0.1
403.06680	0.1
403.90021	0.1
427.06805	0.2
445.07773	0.7
463.08691	1.3
481.10028	0.2
512.58752	0.1
633.24066	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	633.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02377	0.5
53.00315	0.1
55.01883	0.3
65.97468	0.1
68.99804	0.3
69.03436	0.4
70.51277	0.1
70.51607	0.1
79.01859	6.9
79.05496	0.1
81.03424	0.1
85.02901	0.2
91.05508	0.2
97.02899	1.2
98.23306	0.1
107.01320	1.5
107.04953	0.3
109.02908	0.1
116.13486	0.1
119.04978	0.5
121.02939	0.1
121.06561	0.1
123.00805	0.2
125.02358	3.4
131.04921	0.4
133.02922	0.1
134.03639	0.1
135.04395	0.2
138.03130	0.1
143.03407	7.6
144.03709	0.1
147.04468	0.5
149.02432	0.1
150.03122	0.1
151.03944	0.2
152.01044	0.1
153.01837	100.0
153.02890	6.0
154.02153	1.3
154.03357	0.1
158.40501	0.1
159.04399	0.5
162.03125	0.9
163.03900	0.9
164.04672	0.1
165.01877	0.1
167.03374	0.2
171.02885	0.1
171.04312	0.1
173.02373	0.1
175.03934	0.8
176.04649	0.2
177.01828	0.1
177.05519	0.7
178.02725	0.1
179.03392	0.4
179.07083	0.1
180.00540	0.3
181.04987	0.1
187.03847	0.3
190.02634	0.6
191.03403	6.1
192.04074	0.3
193.01479	0.1
193.04944	0.4
194.02051	0.1
195.02905	1.2
195.06624	0.1
197.04517	0.4
199.03900	0.1
203.03462	0.1
204.04161	0.4
205.04964	2.2
207.03046	0.3
207.06546	0.6
208.03709	0.2
209.04469	1.1
209.06322	0.1
211.02403	0.1
213.03938	0.4
215.03429	0.4
216.04153	0.2
217.05048	0.1
218.02087	0.4
219.02969	0.2
219.06544	0.7
220.18054	0.1
221.04489	0.5
222.05264	0.1
223.06026	1.3
223.08226	0.1
225.04138	0.1
229.04979	0.1
231.03122	0.1
232.03731	0.2
233.04460	2.3
234.05054	0.1
235.06018	0.5
237.04015	0.2
243.02798	0.4
245.04474	0.1
247.06032	1.2
248.06409	0.1
251.05516	12.7
252.05876	0.2
254.25101	0.1
255.05046	0.9
260.03140	0.7
263.05524	0.8
275.05508	3.2
276.05896	0.1
281.06586	0.3
293.06555	3.0
294.07034	0.1
305.03046	0.1
311.07736	0.5
333.05917	0.1
403.06326	0.1
445.07538	0.3
463.08807	0.5
481.09753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01421	0.2
50.01630	0.4
51.02407	0.6
53.03966	0.4
55.01868	0.7
67.05533	0.2
68.99845	0.2
69.03454	0.5
69.07095	0.2
69.09534	0.1
69.51199	0.7
79.01855	5.9
79.05492	0.2
81.03415	1.9
81.03836	0.2
91.05485	0.2
96.33160	0.1
97.02885	1.0
98.22741	0.4
107.01324	1.6
107.04968	0.3
109.02885	0.3
119.04973	0.6
123.00854	0.3
123.04481	0.2
125.02342	3.0
127.03922	0.8
131.04916	0.4
135.67461	0.2
137.02348	47.8
137.03439	3.8
138.02658	0.7
143.03395	6.6
147.04456	0.8
151.03918	0.2
151.26604	0.2
153.01826	100.0
153.02887	5.6
154.02168	1.6
159.04428	0.5
162.03119	0.6
163.03908	1.4
167.03403	0.2
175.03949	0.9
176.04665	0.3
177.05487	0.8
179.03368	0.2
180.00578	0.3
187.03926	0.5
190.02603	0.6
191.03383	8.1
192.03835	0.2
193.05048	0.3
195.02876	1.4
195.06654	0.2
197.04443	0.6
203.03343	0.2
204.04123	0.4
205.04956	2.5
207.02869	0.3
207.06480	0.7
208.03622	0.4
209.04474	1.2
213.03853	0.5
215.03401	0.5
216.04251	0.3
218.02077	0.5
219.06497	0.5
221.04410	0.6
223.05997	1.7
225.03894	0.3
232.03658	0.2
233.02248	0.3
233.04420	3.6
235.05925	0.4
239.05440	0.6
243.02734	0.5
247.05981	1.2
251.05504	17.7
252.05794	0.5
255.04932	0.7
260.03146	0.8
263.05423	0.7
275.05481	3.8
281.06433	0.3
289.03308	0.2
293.06558	3.9
300.78333	0.2
311.07434	0.6
333.05624	0.2
429.07791	0.3
445.06998	0.3
445.46429	0.2
447.08557	0.4
463.08142	0.6
465.09821	0.7
617.10449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02372	1.1
52.02700	0.2
53.00299	0.5
53.03952	0.5
53.50297	0.2
55.01870	0.5
55.05509	0.7
57.03428	0.5
67.01861	0.3
67.05505	5.4
67.21572	0.2
69.03432	3.1
69.07091	0.4
69.40665	1.1
71.01341	0.3
71.04991	0.5
71.19596	0.2
77.44168	0.2
77.63907	0.2
79.01855	7.7
79.05495	0.5
80.02187	2.0
81.03417	5.9
81.07059	3.2
85.02909	2.8
91.05491	0.5
93.07031	1.2
95.04942	1.5
95.08608	1.9
97.02897	3.4
98.03220	0.3
99.04440	1.3
99.08154	0.3
107.01313	1.7
107.08588	0.7
108.01648	0.4
109.02882	5.6
109.06538	0.3
109.10160	15.7
110.10521	0.4
111.04423	0.6
119.08584	0.9
121.02885	0.3
123.00798	0.4
124.83340	0.3
125.02335	3.7
125.05986	0.8
126.02721	1.0
127.03917	5.4
131.04929	0.7
137.09615	34.3
137.94736	0.3
138.09923	0.4
143.03412	8.2
144.03726	2.2
145.04930	0.5
147.04430	0.5
147.08047	0.4
151.03870	0.8
152.01015	0.3
153.01831	100.0
153.02916	6.9
154.02165	33.5
154.03233	1.9
155.02281	1.4
155.10674	2.7
159.04362	1.3
160.04727	0.6
165.09117	33.3
166.02597	0.3
166.09482	0.7
167.03362	1.6
168.03719	0.6
171.02846	0.4
175.03914	0.3
176.04677	0.8
177.01840	0.5
177.05234	0.6
179.03412	1.4
180.00549	0.5
180.03735	0.5
181.04961	1.3
182.05339	0.7
183.10165	4.3
187.03885	1.5
188.04309	0.8
191.03360	0.7
192.03842	0.4
195.02878	2.4
196.03230	1.2
197.04462	0.5
199.03918	0.3
201.11221	7.4
204.04141	2.1
205.04637	1.3
206.05367	0.4
207.02908	1.3
208.03194	0.6
209.04388	1.1
210.04800	0.9
213.03955	0.3
213.99776	0.3
215.03383	0.9
216.03812	0.7
217.04533	0.4
218.01981	0.4
219.06520	2.7
220.06825	2.1
232.03691	0.9
233.04243	1.1
234.04718	0.6
235.06111	0.3
239.88461	0.3
244.03287	0.3
247.06006	4.4
248.06308	4.8
248.08702	0.4
251.05548	1.1
252.05804	0.5
255.05002	1.4
256.05325	1.1
260.03113	0.4
261.03656	0.5
263.05576	1.3
264.05899	0.7
275.05521	4.8
276.05878	4.7
277.06137	0.4
281.13794	0.4
291.12225	2.1
292.92294	0.2
293.06573	4.2
294.06857	3.7
309.13309	8.3
327.14389	11.2
327.18311	0.6
328.14832	0.4
345.15393	1.7
355.14008	0.3
369.15503	0.3
435.16537	1.1
446.07935	0.7
453.17560	3.8
464.09134	1.2
468.53036	0.3
471.18625	4.8
487.88562	0.2
489.19733	2.0
623.96942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0886
Annotation	Corilagin
Peak:m/z	Relative Intensity
50.01603	0.4
51.02391	0.7
52.47333	0.2
53.03944	0.2
55.01883	0.3
56.38908	0.2
57.02895	0.2
61.23560	0.2
69.03436	1.8
70.47013	0.2
70.76138	0.4
79.01865	6.6
81.03427	1.8
83.66088	0.2
85.02926	0.7
85.57667	0.2
91.05510	0.5
97.02917	2.5
99.04479	0.5
103.05479	0.7
107.01325	1.3
107.01948	0.2
109.02890	1.2
119.04955	0.4
125.02359	3.2
127.03931	3.6
131.04921	1.2
143.03419	8.5
145.04990	0.7
147.04410	1.0
153.01848	100.0
153.02924	5.6
154.02156	1.6
157.02861	0.8
159.04399	0.5
163.03914	0.6
171.02924	0.9
175.03931	1.2
179.03363	0.5
185.02345	1.0
187.03922	3.9
189.05511	0.3
191.03424	1.0
195.02745	0.3
201.01781	0.6
201.42813	0.3
203.03426	2.7
205.04953	0.7
207.02895	0.7
213.01924	3.1
215.03397	3.5
219.02957	0.6
224.80280	0.2
229.01340	0.8
231.02910	16.0
232.03261	0.5
233.04480	1.3
237.04037	1.2
241.01329	2.8
247.02495	0.4
257.00888	0.7
259.02417	26.2
260.02750	1.0
261.03931	1.0
275.01874	1.8
276.02515	0.5
277.03455	91.1
278.03790	1.8
279.05017	0.6
285.00278	0.6
297.06003	1.6
303.01389	12.9
304.01587	0.5
315.07059	1.1
321.02429	1.3
363.03247	0.6
447.05566	0.3
465.06973	0.4
617.07813	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	635.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76656	0.5
51.02386	0.9
69.03426	3.3
72.80688	0.5
79.01864	5.5
81.03448	1.5
97.02898	1.5
103.05451	0.7
107.01321	1.3
109.02923	0.8
125.02331	2.5
127.03939	4.4
139.13922	0.6
143.03413	7.4
145.04988	0.6
147.04399	1.0
153.01842	100.0
153.02890	4.7
154.02156	1.3
157.02910	1.2
163.03966	0.6
171.03104	0.5
175.03920	2.0
185.02351	1.0
187.03932	5.1
191.03488	0.6
203.03343	2.8
205.04907	0.6
213.01830	3.0
215.03409	3.8
229.01268	0.7
231.02887	16.0
233.04424	0.9
237.04039	0.9
241.01305	2.4
247.02481	0.8
257.00888	0.7
259.02411	27.5
260.02579	0.6
261.03946	1.0
275.01904	2.0
276.02634	0.8
277.03448	97.0
278.03717	2.6
285.00366	0.8
297.05792	0.8
303.01364	13.0
315.07007	2.5
318.45163	0.7
321.02563	1.5
540.40259	0.6
555.22168	0.7
617.07672	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	635.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42603	0.3
55.28762	0.3
59.60441	0.3
65.28130	0.3
67.51794	0.3
70.38133	0.3
71.45061	0.3
76.68262	0.3
79.01872	0.4
110.79689	0.3
115.95264	0.3
143.03227	0.9
153.01843	3.9
167.03464	0.4
185.04218	1.1
203.05275	9.5
205.98586	0.3
229.05214	0.3
231.13660	0.4
249.14656	5.3
251.11378	0.3
251.12645	0.3
269.12439	0.5
293.13632	3.0
311.14648	19.0
312.14935	0.6
318.59314	0.3
353.15204	0.5
411.19928	5.3
413.17581	0.9
424.04349	0.4
455.18954	0.7
473.19943	15.6
474.20206	0.6
635.25232	100.0
636.25629	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	636.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02374	0.7
55.01876	0.8
65.03922	0.7
65.73827	0.5
65.85220	0.5
67.05490	1.3
70.83327	1.0
71.04969	0.5
75.77787	0.5
77.03913	0.8
79.05476	0.9
81.03417	0.9
89.03906	0.6
93.03469	0.5
95.04967	2.1
105.03400	0.8
105.52409	0.6
106.15611	0.5
107.04967	1.7
107.08568	0.5
109.10147	0.7
123.04437	100.0
124.04807	1.6
135.04422	5.5
135.85495	0.5
136.83624	0.5
137.02354	5.6
145.02870	1.0
147.04413	2.3
151.03864	0.9
153.01816	2.4
157.04979	2.1
163.03926	6.8
165.01846	1.2
165.05453	4.3
167.03406	22.1
177.05470	0.6
185.06133	0.7
187.03940	0.9
189.05518	1.1
191.03401	32.6
203.03464	3.6
213.05479	1.0
217.04865	0.9
222.53224	0.7
241.05008	0.7
259.06018	6.4
279.08868	0.5
301.07083	27.3
302.07510	0.7
311.82254	0.5
313.07156	1.6
315.08640	0.7
324.09396	0.6
325.07135	1.1
332.13986	0.6
393.09744	1.5
435.10831	8.2
494.18875	0.7
503.75531	0.6
590.10614	0.6
636.27332	1.3
636.37885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
55.05517	0.9
61.73656	0.6
65.03939	3.7
67.05526	1.1
68.02655	0.6
68.99812	0.7
71.01347	0.6
71.44292	0.7
77.03951	0.6
79.05514	0.8
81.03439	0.9
83.05004	1.6
91.05510	0.6
93.03450	1.0
95.04993	1.6
96.02146	1.0
105.03406	1.1
107.04970	1.3
111.04445	0.8
117.03444	0.7
123.04447	76.6
124.04825	1.5
125.02369	1.6
131.04985	0.6
135.04440	7.9
137.02370	10.4
139.03923	0.9
141.01833	0.9
145.02884	0.7
147.04436	5.1
153.01883	0.9
153.05487	0.7
157.04973	10.5
159.04404	0.6
161.05971	1.0
163.03934	14.0
165.01868	1.8
165.05499	6.2
167.03413	100.0
168.03775	1.5
175.03944	0.9
179.03464	0.7
185.04485	0.5
185.06036	1.1
187.03905	1.2
189.05528	2.3
191.03413	48.0
192.03781	1.2
203.03439	3.8
213.05409	1.5
217.04980	1.1
241.04991	1.2
259.06061	6.1
271.06067	2.8
283.05850	0.9
301.07108	33.3
302.07230	1.1
307.06241	1.0
313.07123	5.9
325.07181	4.1
329.06622	0.6
331.07980	0.7
343.08218	1.1
375.08170	0.7
393.09500	1.3
417.09601	1.1
435.10828	15.4
436.11514	0.6
453.11530	1.6
509.10596	1.3
636.26105	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	636.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01881	1.5
55.05511	9.9
57.03437	11.0
57.03701	1.2
59.05003	3.2
61.02930	4.7
65.03939	2.5
67.05503	65.3
68.05840	0.9
69.03426	3.8
69.07065	3.8
69.79433	1.5
69.79796	1.2
71.05000	3.9
73.02928	1.7
73.82827	0.7
79.05492	12.9
81.03418	32.2
81.07056	18.9
82.03751	0.6
83.04982	7.1
83.08617	15.6
85.02904	15.7
85.06570	3.1
91.03974	1.8
91.05477	18.2
93.07048	8.6
95.04964	12.5
95.08607	8.9
97.02916	4.0
97.06541	2.2
97.10152	1.7
99.04443	1.0
99.08105	0.9
102.25228	0.6
105.04610	0.7
105.07033	11.0
107.04967	3.6
107.08588	3.5
109.06529	2.6
109.10156	58.4
110.10505	1.3
111.04449	1.0
111.08076	7.0
113.06018	1.1
119.08578	13.5
121.06497	1.7
121.10134	4.6
123.08079	1.6
123.11736	1.0
125.09628	1.4
127.11215	1.0
129.06989	4.8
131.08553	6.3
131.98781	0.7
133.06511	1.8
133.10101	6.3
133.10829	0.6
137.09593	3.4
138.09869	0.6
142.07848	1.2
145.10150	1.1
147.08044	2.0
147.11670	8.9
149.09572	3.2
151.43871	0.6
155.10664	4.4
157.10117	7.5
165.12769	1.9
168.51392	0.7
173.11725	14.7
175.11160	8.4
193.12238	22.7
193.13972	1.4
194.12639	1.1
211.13289	36.6
229.14342	61.3
230.14761	1.1
267.15936	14.5
268.16348	0.9
285.16943	30.8
299.51547	0.6
421.25851	17.0
422.26343	0.9
439.26907	100.0
440.27325	5.1
583.31177	1.2
636.33240	1.9
637.35095	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	636.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
51.53016	0.6
52.91768	0.5
53.03945	1.3
55.01873	1.1
55.05515	9.1
57.03439	9.4
57.07075	1.1
59.05003	2.7
61.02927	3.6
65.03954	1.4
65.05875	0.6
67.05510	63.5
68.05836	0.7
69.03420	3.0
69.07065	4.3
71.05003	3.7
73.02917	1.1
79.05499	10.2
81.03424	32.4
81.07061	19.2
81.19793	0.5
83.04987	7.0
83.08624	14.2
83.09099	0.9
85.02911	15.1
85.06544	2.4
91.03974	2.0
91.05488	16.1
93.07050	9.7
95.04977	12.8
95.05533	1.1
95.08607	8.4
97.02900	4.2
97.06543	1.9
97.10187	2.0
99.08108	1.0
105.04513	0.8
105.07039	7.6
107.04983	3.3
107.08599	4.3
109.06530	2.3
109.10165	51.3
110.10484	0.6
111.04446	1.2
111.08092	6.5
113.05998	1.7
115.05502	0.8
117.07021	1.1
119.08591	12.1
121.06538	0.7
121.10154	4.1
123.08078	1.0
123.11704	0.9
125.09663	1.3
127.11240	0.9
129.07004	4.5
131.08565	4.5
133.06531	1.7
133.10155	5.6
137.09616	3.9
142.07761	0.9
147.08086	1.0
147.11696	5.8
149.09665	3.3
155.10695	3.6
157.10138	8.5
161.97298	0.5
165.12781	1.7
173.11745	14.2
175.11192	8.0
193.12256	22.9
193.13972	1.2
211.13304	33.1
212.13669	1.4
224.26973	0.5
229.14362	60.9
230.14703	1.0
233.64908	0.6
267.15936	14.4
274.75348	0.7
285.16983	31.3
286.17334	1.2
402.90784	0.6
403.24643	1.5
421.25867	17.4
422.26437	1.3
439.26929	100.0
440.27271	5.9
583.30865	1.1
633.59430	0.6
636.34668	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50065	0.9
71.19902	1.1
79.05511	0.9
80.84937	0.8
82.93669	1.0
83.08633	1.0
95.71333	0.9
105.07067	1.0
132.37531	1.0
255.94591	1.2
277.11896	1.0
377.17841	1.0
391.19498	1.7
392.19812	1.5
393.20807	3.4
399.16055	1.9
400.16934	4.0
401.17529	4.3
402.19208	0.9
407.22195	3.6
413.17221	2.2
414.18402	4.5
415.19211	10.9
416.20175	2.1
421.20200	2.7
427.19357	1.8
428.19781	3.6
429.21265	8.7
430.21198	2.9
435.21817	2.1
441.16946	1.8
442.17880	2.1
443.18164	3.8
443.22516	3.9
444.19397	4.6
447.18301	1.3
456.19614	2.0
457.20575	5.0
458.20990	3.6
471.22223	8.7
472.23288	5.2
473.19504	4.3
474.20291	1.5
484.18567	1.4
485.19635	3.6
486.20410	5.7
487.21426	1.7
488.22116	1.1
499.21356	9.8
500.21652	3.6
500.82306	1.1
503.24124	3.0
513.19495	1.3
516.21387	1.3
517.21942	4.6
527.21039	1.9
531.23901	10.9
539.39191	1.4
543.23828	1.7
549.25226	1.0
559.23358	80.2
560.23553	5.5
587.22876	11.9
619.25476	100.0
620.25439	5.7
637.26605	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	637.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05521	0.4
57.03437	2.8
61.02922	2.4
67.05501	3.0
69.03429	1.4
69.07063	0.5
69.64537	1.0
69.64893	0.8
71.01350	0.6
73.02918	1.5
79.05493	3.1
81.03425	1.5
81.07047	2.6
83.08620	1.3
85.02894	3.5
91.03957	1.6
91.05486	0.5
93.07045	3.8
95.04985	0.5
95.08611	1.2
95.59543	0.4
97.02907	2.3
97.06529	0.6
99.04487	0.9
101.02351	0.9
103.03940	0.4
104.81980	0.4
105.07044	0.5
107.08611	1.3
109.02859	0.9
120.68124	0.4
121.10148	3.8
127.03953	0.7
131.08530	0.5
139.11241	0.7
140.19150	0.5
140.27866	0.4
149.13248	1.0
159.11729	0.5
167.10707	0.9
183.06589	0.4
185.04214	0.7
235.13098	1.4
241.14497	0.8
243.08487	1.3
245.13950	0.4
263.12427	0.5
273.63278	0.5
337.15652	0.4
413.18048	0.4
425.17767	9.6
453.20981	4.5
516.65015	0.4
637.31879	100.0
638.32147	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	637.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01856	0.4
55.05505	0.9
57.03440	2.7
57.15683	0.3
59.38112	0.3
61.02929	3.1
63.56673	0.3
67.05510	2.5
69.03429	1.6
69.07067	1.0
71.01360	0.5
71.04992	0.6
73.02905	2.6
74.34704	0.3
79.05497	3.0
81.03419	1.2
81.07061	2.5
83.04987	0.7
83.08627	1.0
85.02910	3.6
85.06522	0.3
91.03960	2.4
91.05469	1.4
93.07040	3.4
95.04942	0.4
95.08600	1.4
97.02895	3.1
97.06530	0.5
99.04458	0.7
101.02386	1.1
105.07033	0.7
107.08607	1.4
109.02896	0.6
109.10191	1.1
111.39431	0.3
117.06980	0.3
119.08603	0.4
119.86984	0.3
121.10125	2.7
127.03914	1.2
131.08600	1.0
133.10117	0.6
135.11743	0.5
139.11206	0.6
145.04965	0.5
146.89975	0.3
149.09618	0.5
149.13301	0.5
159.11719	0.4
167.10727	1.1
173.11909	0.4
185.04335	0.6
195.13799	0.6
207.10002	0.5
235.13037	0.7
241.14423	0.9
243.08411	1.6
269.17490	0.6
413.17892	1.2
425.17825	7.6
453.21036	4.3
465.20911	0.6
472.32477	0.3
637.31927	100.0
638.32373	5.8
649.68909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84869	0.8
55.05501	1.1
57.03437	1.3
57.26412	0.7
61.02925	2.3
67.05499	4.3
68.10454	0.7
69.03430	2.3
69.07059	1.5
71.04993	1.2
73.02916	2.0
79.05492	2.4
81.03436	3.4
81.07056	3.9
83.08631	1.3
85.02911	2.6
91.03955	1.6
91.05464	3.4
91.71104	0.6
93.07062	4.0
95.04971	0.9
95.08611	1.3
97.02902	2.3
101.02401	1.3
101.16300	0.7
105.07046	1.4
107.04924	0.9
107.08611	2.0
109.10169	1.5
111.08094	0.8
113.15894	0.7
119.08647	1.2
121.10168	2.8
131.08582	1.2
133.10158	0.9
149.09631	1.3
149.13260	0.9
167.10672	0.8
193.12364	0.9
207.09937	1.5
241.14301	1.2
243.08420	1.6
263.12576	1.0
272.25931	0.8
425.17789	9.4
453.20782	6.3
637.31885	100.0
638.32001	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	638.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24250	0.3
55.21360	0.3
55.78019	0.3
57.03418	0.7
57.43396	0.3
65.03936	0.6
67.05499	2.6
69.03429	0.7
69.07052	0.4
69.56139	0.4
69.56517	0.5
71.01343	1.1
71.04990	7.9
85.02900	5.2
89.02370	1.8
95.04971	3.6
95.87959	0.4
97.02844	0.4
103.03932	1.5
107.04942	0.4
113.06001	5.5
119.04965	0.4
121.02869	1.0
131.04939	0.6
131.07034	6.4
133.02846	1.4
137.02347	0.6
138.03094	0.5
143.03305	0.3
145.04945	1.4
145.19025	0.3
147.04364	0.6
149.02377	1.7
149.08115	0.8
150.03110	4.6
151.03827	0.5
153.01840	2.1
153.02878	0.3
153.05499	0.8
154.02097	0.7
159.04341	1.5
162.03143	0.5
163.03851	0.6
165.05501	1.6
166.02574	0.8
175.03851	1.0
177.01826	10.3
177.05418	0.8
179.03383	0.7
181.04959	5.9
187.03865	1.1
191.03386	4.5
193.01286	0.3
193.05017	1.8
194.02100	8.1
195.02899	1.8
197.04478	2.1
197.08200	0.5
204.04153	0.6
205.04939	4.6
207.02850	0.5
207.06577	0.4
209.04442	100.0
210.04808	2.2
211.02463	0.4
215.03346	0.8
215.09138	9.7
217.04982	0.4
219.02867	0.8
219.06546	1.8
221.04425	2.6
223.02316	0.3
223.05984	1.2
231.02859	0.3
233.04454	4.5
233.10193	7.5
235.05939	0.5
237.03995	2.1
245.04517	0.8
247.05988	3.2
249.04024	0.4
251.05492	9.2
257.04474	0.5
260.03265	0.6
263.05579	2.7
267.20593	0.4
275.05435	4.0
281.06577	1.0
293.06500	4.0
311.07626	3.7
329.08667	6.3
366.63651	0.4
423.12927	2.6
441.13925	17.8
442.13974	0.9
459.14914	2.9
487.19171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51855	1.5
95.04975	0.4
98.23280	0.7
147.04428	0.4
153.01862	0.6
168.01456	0.4
205.04721	0.6
228.76071	0.4
237.46410	0.4
250.98050	0.3
367.13599	0.8
385.14737	1.7
409.14700	0.4
477.17328	8.4
513.19397	0.4
519.18317	2.0
529.18939	1.4
639.22583	100.0
640.23022	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	639.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71437	0.5
69.58450	2.1
71.88450	0.5
116.58899	0.6
130.37540	0.6
131.48866	0.6
134.68095	0.6
153.01903	0.7
153.05202	0.7
184.45248	0.6
185.07915	0.8
207.83842	0.6
221.76309	0.7
315.10510	89.0
316.10895	2.2
347.13147	100.0
348.13440	2.5
406.07965	0.6
453.01758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2819
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05511	0.5
57.47451	0.3
67.05505	1.2
69.07059	0.7
79.05502	0.9
81.07051	1.0
91.05489	1.1
93.07056	0.8
95.04972	0.4
95.08602	0.7
98.23520	0.7
105.07028	1.1
107.04914	0.4
107.08638	0.5
117.07015	0.5
119.08618	0.8
120.08164	0.3
125.16904	0.3
129.07047	0.3
131.08589	0.8
133.10158	0.5
143.08556	0.4
145.10155	0.5
147.11734	0.3
163.11226	0.3
172.04036	0.4
183.09302	0.3
194.14328	0.3
204.06561	0.7
225.10483	0.4
227.11954	0.3
239.11902	0.3
249.10272	0.5
250.32323	0.3
257.19144	0.3
273.10269	0.4
275.20132	0.6
291.19550	0.8
314.13110	0.4
327.14029	0.5
328.14563	0.4
356.17764	0.4
391.15408	0.5
392.15808	0.5
393.17148	0.9
405.17184	0.5
406.18015	0.5
407.18671	1.8
418.18567	0.4
419.14548	0.6
419.19351	0.8
420.15063	0.6
420.19855	1.0
421.20477	5.1
422.20923	1.8
423.21936	0.8
432.19418	1.0
433.15829	0.5
433.20822	0.8
434.16943	1.5
435.17181	1.8
435.23010	0.6
436.23145	1.7
437.23080	0.4
446.17093	0.3
447.23071	1.8
448.18594	2.1
449.19626	8.6
450.20383	2.3
451.21228	0.7
458.17697	0.4
459.18088	0.9
460.18661	0.5
461.19720	1.6
462.20618	0.7
463.21674	4.8
464.22202	4.9
465.23044	1.0
474.20685	0.8
475.21451	1.3
476.18771	0.3
476.21353	0.3
477.18878	4.8
478.19714	2.1
479.20645	0.7
481.22568	0.5
491.21140	1.0
492.21341	0.6
493.22321	0.7
495.24374	0.5
503.21262	0.4
505.22491	1.0
507.23935	1.0
509.21625	0.3
519.21411	0.3
521.21936	0.6
523.23370	2.8
533.21960	1.1
535.23529	3.4
536.24158	1.7
537.21985	1.2
547.23425	0.6
549.21558	1.0
550.25757	0.9
551.26593	3.4
552.26758	0.3
561.25092	3.4
562.25281	0.4
563.22913	0.4
564.23724	4.4
565.24310	2.4
567.26117	0.6
579.26123	6.5
580.26355	0.5
581.24005	0.9
592.23578	0.6
595.25568	2.9
596.26215	1.1
597.27368	0.5
607.25519	1.2
610.28046	0.8
611.29010	0.5
621.27258	2.8
622.27374	0.5
624.25909	5.2
625.25726	0.4
639.28143	100.0
640.28436	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	639.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41013	0.6
52.75339	0.6
59.35180	0.6
67.05486	0.8
69.92883	2.0
72.20862	0.7
98.23406	0.8
109.10130	0.8
169.78029	0.6
196.54472	0.7
263.03802	0.6
267.57529	0.7
339.84344	0.7
390.18420	0.8
405.20770	3.4
419.22308	1.9
420.23184	2.0
421.23697	0.9
433.24084	1.7
434.24725	1.0
435.25394	1.0
447.21854	2.4
449.19693	1.3
450.20569	1.4
463.21237	1.1
464.15930	0.7
464.22104	0.9
465.23105	2.9
467.37427	2.1
476.22632	0.7
477.22925	1.4
479.24420	20.8
480.24951	1.7
491.24756	1.1
492.25089	1.2
493.26056	4.2
507.27020	1.0
519.23901	0.8
533.25732	0.8
537.24695	0.7
547.26752	3.2
551.26538	6.1
564.27332	1.4
565.28174	4.1
566.28790	11.1
579.29663	10.5
580.30627	1.0
611.99445	0.7
639.31757	100.0
640.32001	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03182	0.9
53.03953	4.5
55.01865	4.8
55.05260	1.2
55.05511	20.3
57.03440	11.0
59.04985	1.2
61.02935	1.1
64.50744	0.6
65.03927	1.5
65.12049	0.6
67.05508	28.5
69.03429	12.8
69.07069	7.8
70.66595	1.1
71.01350	1.0
71.04996	5.8
73.02914	1.3
77.03899	1.0
79.05495	25.2
81.03418	100.0
81.07056	29.8
82.03764	1.0
83.04983	18.3
83.08116	1.3
83.08620	22.4
85.02908	21.3
85.06556	2.5
91.05482	30.2
93.03391	0.7
93.06448	0.9
93.07047	21.3
95.04971	29.9
95.08610	10.1
97.02893	15.1
97.06546	5.7
97.10178	6.1
99.04465	4.8
101.02416	0.9
103.05485	1.2
105.04519	2.0
105.07027	23.3
107.04947	9.4
107.08594	9.9
109.02880	14.8
109.06545	5.7
109.10152	4.2
111.04446	11.5
111.08077	9.1
113.06026	2.0
115.05492	1.7
117.07001	5.2
119.04961	1.2
119.08583	19.0
121.06512	3.8
121.10148	9.7
123.04464	2.1
123.08107	2.9
123.11733	2.9
125.05994	0.8
125.09631	4.8
127.03912	7.4
128.06169	0.7
129.05525	1.4
129.07002	13.2
131.04974	1.1
131.08574	13.1
133.06471	4.2
133.10121	10.8
135.08102	1.9
135.11734	2.9
137.06009	1.2
137.09689	1.5
142.07825	3.1
143.08607	2.2
145.06537	1.2
145.10153	3.7
147.04445	1.7
147.08080	4.8
147.11679	18.0
149.06018	1.5
149.09599	7.0
153.09193	0.8
153.12747	1.6
155.08600	0.8
157.06551	1.4
157.10120	13.6
159.08153	0.7
161.06009	1.0
163.11145	3.9
165.09155	0.8
165.12772	4.6
169.10254	0.8
171.08142	1.4
171.11734	1.8
173.04620	1.4
173.06026	1.1
173.09685	1.4
175.11177	14.2
177.12799	0.7
181.10312	0.6
181.12346	2.5
184.07181	0.7
185.09608	0.8
189.05620	0.9
189.11281	1.7
189.12822	1.4
191.10736	2.6
193.12242	37.6
197.09744	0.9
199.07635	0.7
207.13875	0.9
211.13284	58.9
212.13733	1.5
213.12892	1.0
217.12317	1.0
227.12657	4.8
229.14532	2.1
231.14021	0.9
233.15454	1.0
235.13458	1.5
243.13857	0.7
249.15009	2.1
255.13942	1.9
256.14154	0.7
259.13437	1.2
265.14523	0.9
267.15915	25.6
268.16498	1.0
273.14804	3.3
277.14447	1.1
283.15607	2.6
285.16992	17.4
285.19870	1.3
289.14560	1.0
301.14264	4.7
309.17096	1.8
313.16718	1.3
319.15643	2.8
337.16400	3.1
355.17438	5.4
356.17941	0.8
357.17337	0.9
367.22873	2.5
375.18503	2.1
385.23785	5.2
393.19452	3.1
403.25098	1.0
411.15918	1.4
411.20483	7.0
429.21106	4.3
459.27359	13.6
469.20786	1.0
477.28464	17.4
495.29553	14.2
501.29010	1.1
519.29913	1.4
543.30017	1.0
561.30756	1.4
573.31134	1.4
585.30536	4.0
603.31653	5.5
621.32642	14.6
621.42676	0.8
639.33899	46.4
640.33838	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	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.9
57.03440	8.1
57.06816	1.9
57.07080	27.0
65.03915	2.6
67.05160	1.9
67.05505	32.1
69.07069	17.1
69.42465	4.7
71.04974	2.2
71.08635	15.6
77.44205	1.2
79.05497	22.0
80.31164	1.1
81.03415	2.5
81.07057	37.3
82.91456	1.0
83.05013	5.1
83.08614	10.1
85.06535	1.3
85.10165	8.1
91.05486	19.4
93.07048	21.4
95.04970	6.0
95.08607	23.9
97.06534	6.3
97.10170	4.7
99.08081	1.8
103.05494	1.2
105.04509	2.2
105.07033	13.2
107.04954	3.1
107.08598	12.4
109.06509	3.0
109.10164	7.7
111.08096	2.6
117.07021	7.0
119.08595	10.5
121.06486	2.3
121.10137	7.0
123.08077	1.8
123.11721	2.7
131.08553	8.3
133.10135	7.2
135.08122	2.1
135.11678	7.3
137.09645	2.5
141.06961	1.5
143.08589	1.6
145.10107	6.3
147.11674	4.5
149.09622	4.9
149.13243	6.3
157.10159	2.2
159.11713	7.5
161.13284	1.4
163.11156	3.4
171.11662	1.3
173.13260	2.7
177.12744	2.7
181.12280	1.5
183.11707	1.3
195.13774	5.6
217.15952	3.1
229.19502	1.9
239.23706	5.6
247.20573	2.0
249.22939	1.1
251.16377	3.0
255.15901	18.4
257.18991	7.1
267.15979	1.8
269.17474	23.2
275.20087	27.0
291.19611	2.3
293.21228	1.8
311.25684	2.1
313.27365	83.2
314.27740	2.4
331.22559	2.0
341.26709	1.4
349.23734	19.6
367.24677	3.5
414.11093	1.4
449.86017	1.4
493.38840	24.6
494.39603	1.8
505.38718	2.7
507.40451	100.0
508.40594	5.3
523.39935	1.8
547.43616	2.6
587.46698	14.2
588.47430	1.3
605.47461	6.2
654.58252	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	641.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90707	1.4
56.96558	13.0
56.96753	1.2
69.36340	6.5
77.46573	1.4
81.79303	1.7
84.01599	1.3
94.93035	4.0
95.08540	1.5
98.23422	2.9
98.97587	59.2
100.99173	5.6
116.98631	20.3
124.99111	2.8
125.26283	2.0
134.99678	3.3
136.94040	3.6
143.00177	9.9
151.00691	1.7
158.99638	7.1
161.01253	13.6
163.13417	1.5
169.01752	8.2
177.00706	4.2
179.02217	2.1
185.01256	2.6
187.02786	28.1
194.94566	3.9
203.02309	7.3
205.03882	17.6
211.02780	36.5
212.03049	1.6
219.01781	4.5
229.03847	100.0
230.04213	2.0
237.02802	4.4
247.04907	31.7
248.89671	3.2
265.05994	3.5
271.04877	8.9
289.05945	24.6
298.95538	1.5
328.99088	2.1
331.07166	4.9
343.91180	1.9
349.08670	64.6
367.09177	26.6
387.04187	1.7
391.09131	4.8
409.10181	8.7
443.12061	2.3
461.13266	5.3
509.83795	1.6
558.21790	1.8
564.10828	1.6
641.20343	47.3
642.20264	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.297
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.67959	0.4
55.01869	0.8
55.05505	0.9
55.47207	0.4
57.03431	0.9
67.05508	4.3
69.07063	0.9
71.58530	0.4
79.05499	2.8
81.03424	1.2
81.07055	3.1
83.04973	0.7
83.06132	0.5
83.08602	0.6
84.04518	1.6
91.05485	2.3
93.07049	2.6
95.04985	1.3
95.08598	1.9
97.06542	1.1
97.10221	0.5
98.23445	1.0
99.08079	0.5
105.07050	1.9
107.08613	1.4
109.06538	0.7
117.07070	1.2
119.08606	1.8
121.06572	0.4
121.10132	0.8
125.09583	0.4
129.07069	0.4
131.08577	0.9
133.10149	1.6
135.11711	0.9
145.10136	0.6
149.09630	0.6
157.10222	0.6
159.11752	0.7
165.11496	0.5
176.90701	0.4
179.14377	0.9
207.64053	0.4
216.91164	0.4
239.11812	0.7
241.13612	0.5
243.31587	0.4
251.11852	0.5
257.12296	0.5
258.10831	0.4
275.13632	0.8
275.20096	1.5
277.21869	0.5
282.40851	0.4
349.23773	0.7
351.61823	0.4
377.17880	0.6
386.14926	0.5
389.27679	0.4
390.18326	0.5
391.19443	0.8
405.16656	0.9
405.21255	0.8
406.21808	0.7
417.17462	0.5
418.17825	1.0
419.18463	1.3
419.23233	0.6
432.19754	0.9
433.20151	3.6
434.20950	1.6
435.21793	1.2
445.29416	0.8
446.16949	0.7
447.21838	2.1
448.22729	1.2
449.23318	1.4
461.19559	9.8
461.24994	0.5
462.20300	3.3
463.21487	1.0
465.19678	1.4
467.24704	2.6
475.21475	1.4
476.22272	1.8
477.22913	2.5
479.20761	1.1
480.21658	1.0
488.57001	0.4
489.22971	1.4
493.22559	1.4
494.22430	2.5
495.23849	2.4
505.22122	0.7
507.24173	1.2
521.22473	1.6
533.21973	0.8
535.27649	0.9
539.22668	0.5
543.36890	3.5
548.24255	3.0
549.25159	1.7
553.28259	1.3
563.26624	6.1
564.26428	1.2
566.24683	0.6
576.23792	0.7
580.26440	0.5
581.27576	12.1
582.27673	1.2
593.24103	0.6
608.26202	1.9
609.26752	0.5
623.28662	1.5
641.29651	100.0
642.29840	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	641.2971
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
50.51472	0.9
50.96807	0.9
53.91946	0.9
55.01872	3.8
55.05517	5.5
62.42879	0.9
65.37489	1.1
67.05505	11.1
69.07075	7.0
71.11220	1.1
71.99170	1.1
74.42562	1.0
79.05497	10.3
81.07065	12.4
83.05000	1.5
91.05480	9.0
93.07054	7.3
95.04965	3.0
95.08611	5.8
97.06531	7.7
97.10220	1.3
105.07027	11.9
107.04968	3.9
107.08616	4.2
109.06521	1.7
109.10172	3.0
117.07022	3.8
119.08581	7.0
121.06504	1.3
121.10148	3.8
123.79941	1.0
125.09577	1.2
129.07005	1.4
131.08572	5.6
133.10094	4.9
135.08066	1.1
135.11707	1.7
145.10141	3.8
147.11684	4.8
149.09605	2.5
149.13292	1.1
157.10083	1.2
159.11725	2.9
161.13269	1.6
163.11221	2.2
171.11670	1.7
173.13260	1.9
179.14313	1.5
197.10828	1.6
209.10718	1.1
210.11572	2.0
223.12422	1.8
224.12784	1.2
225.13936	2.1
235.12607	1.3
237.13828	2.4
238.14691	1.6
239.11961	1.5
239.15446	2.3
249.13933	1.4
257.18890	1.6
267.15891	1.2
275.20023	16.7
277.16803	1.1
290.16473	1.6
291.19608	1.7
292.18030	2.6
293.21085	1.8
304.14410	1.5
305.18869	1.2
318.16086	1.5
319.16876	1.6
332.17590	1.4
333.18604	1.9
334.19073	1.3
344.17554	1.7
346.18738	1.1
349.23816	6.0
368.13968	1.1
369.14389	1.8
373.18524	1.5
384.17264	2.5
391.19458	1.8
392.19800	3.2
393.20572	2.0
404.20117	1.1
405.20679	2.2
406.21487	4.9
407.22333	6.4
412.16577	2.8
415.19098	1.5
417.20947	2.0
419.21985	3.7
420.23001	3.9
421.23740	8.7
422.24365	9.3
426.18066	1.1
433.24164	1.3
434.18350	1.3
434.24484	6.9
435.21808	2.4
444.18909	5.1
459.21664	3.1
462.20303	1.9
463.21121	8.3
473.23279	1.9
475.21237	3.2
476.21661	2.1
477.22803	3.5
487.24561	2.1
489.22833	1.2
491.24738	2.9
494.26703	1.9
495.27774	2.1
508.22620	2.0
518.23676	1.3
519.20123	1.4
523.26959	1.5
534.22156	2.1
543.36890	3.9
545.25702	6.4
547.27301	8.0
549.24908	14.9
550.25513	5.8
561.21100	1.8
563.27045	4.8
565.27979	1.6
576.23590	1.6
579.29382	2.4
581.27502	4.2
591.26050	40.1
592.26086	3.3
605.27435	6.4
609.27100	15.0
622.39575	1.4
623.28662	100.0
623.41736	4.6
624.28784	6.2
626.26587	1.3
640.40631	16.2
641.29376	17.2
641.40808	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	641.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
55.44770	0.5
57.03429	0.6
61.96229	0.5
67.05502	3.4
69.07072	1.3
69.96361	0.8
69.96692	1.0
71.08624	0.8
79.05492	2.6
81.03413	1.3
81.07059	4.3
83.08614	0.4
84.04510	1.3
91.05489	3.0
93.07031	2.4
95.04982	1.2
95.08620	1.7
97.06553	1.4
98.23418	0.6
101.36238	0.5
105.07047	2.7
107.04961	0.6
107.08569	2.3
109.10184	0.8
110.65682	0.4
111.08104	0.8
112.57137	0.5
114.04383	0.5
117.07048	0.6
119.08598	1.5
121.06522	0.6
121.10180	0.9
124.44424	0.5
128.76372	0.4
130.05020	0.6
131.08585	1.2
133.10181	1.0
135.08084	0.5
135.11700	0.7
143.08481	0.6
145.10144	1.1
147.11679	1.2
149.09598	0.6
151.11134	0.5
159.11746	0.9
161.13242	0.5
179.14357	1.1
202.28156	0.5
257.12601	0.7
269.17300	0.6
275.20187	1.4
277.21558	0.8
314.61218	0.5
342.16086	0.9
349.23892	1.1
404.15643	0.5
405.21121	1.0
406.21725	1.1
418.17743	0.7
419.18738	2.0
420.23392	0.8
421.24564	0.7
433.20432	2.8
434.21127	1.4
437.19943	0.7
445.29663	1.3
446.17068	1.3
447.17700	1.0
447.22433	0.9
448.22714	0.9
449.23242	1.4
461.19467	10.6
462.20438	3.9
463.21100	1.1
465.19235	1.6
467.24161	2.4
475.21347	1.9
476.22116	2.0
477.22897	2.7
479.20807	0.8
480.21301	1.0
493.22617	1.1
494.22726	2.6
495.23944	1.9
507.24127	0.9
519.20685	0.6
521.22400	0.8
533.20428	0.6
535.27057	0.7
543.36981	5.0
548.24219	3.3
549.24847	1.4
553.28186	1.0
563.26715	5.7
564.26160	0.8
576.24103	0.6
581.27582	9.5
593.24384	0.8
594.24701	0.7
608.26288	1.9
612.26953	0.5
623.27759	0.9
623.42773	1.2
641.29633	100.0
642.29498	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	641.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03447	1.8
61.02927	4.1
67.05508	5.9
69.03425	2.0
69.07075	0.6
71.01339	0.5
71.05000	0.8
73.02917	2.7
78.77833	0.3
79.05497	1.3
81.03417	4.0
81.07053	2.6
83.04986	0.4
83.08635	1.2
85.02902	4.7
85.06542	0.5
90.35560	0.3
91.03953	2.5
91.05469	2.5
93.07079	1.6
95.04959	1.4
95.08632	1.3
97.02892	3.6
97.06559	0.4
97.08779	0.3
98.22710	0.8
99.04469	0.8
101.02384	1.8
103.03935	0.4
105.07038	1.3
107.04958	0.4
107.08607	1.0
109.02886	0.5
109.06520	0.4
109.10162	6.8
109.10884	0.5
111.08089	0.7
115.03927	0.4
119.07867	0.3
119.08547	1.6
121.10171	0.4
123.11735	0.7
127.03902	1.5
129.06998	0.8
131.08543	0.5
133.10162	1.0
135.11707	0.4
136.19661	0.3
137.09663	0.9
147.11702	0.6
151.11134	0.4
155.10706	0.9
157.10158	0.9
165.09097	0.4
168.55362	0.3
173.11772	1.6
175.11249	0.6
175.90112	0.3
185.04280	0.8
193.12276	1.6
195.09998	1.1
203.05357	0.3
211.13365	0.9
215.67128	0.3
229.14423	1.1
243.08353	2.2
243.16086	0.5
251.12556	1.3
267.16190	0.4
307.15237	0.7
333.24359	0.4
335.85660	0.3
352.68201	0.3
413.17813	8.7
414.18024	0.5
461.28537	0.4
469.20413	7.6
525.22778	0.4
641.31384	100.0
642.31763	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	641.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05975	0.3
53.03946	0.7
55.01870	0.4
55.05504	1.2
57.03439	1.9
61.02929	3.9
62.35986	0.3
66.35355	0.3
67.05505	7.6
69.03432	2.8
69.07070	0.9
69.31904	1.7
71.01358	0.5
71.04996	0.9
73.02910	3.1
79.05483	1.8
81.03419	4.6
81.07053	3.9
83.04969	1.1
83.08626	2.0
85.02898	5.9
85.06535	0.3
87.04475	0.5
91.03950	2.2
91.05481	2.8
93.07048	1.9
95.04975	2.1
95.08608	1.2
97.02888	4.0
97.06502	0.8
97.10178	0.4
99.04466	1.1
99.08015	0.3
101.02368	1.7
103.03956	0.4
105.07043	1.0
107.04993	0.4
107.08579	0.7
109.02907	0.7
109.06517	0.6
109.10161	4.8
111.04433	0.5
111.08093	0.6
115.03915	0.3
119.08587	1.9
121.06542	0.4
121.10162	0.9
123.08069	0.4
123.11727	0.4
127.03928	1.4
129.07039	0.6
131.08571	1.0
133.10144	1.0
136.15094	0.3
137.09641	0.6
145.10164	0.4
147.11670	0.9
151.11066	0.3
155.10727	0.5
157.10150	0.9
161.13356	0.3
165.09065	0.7
173.11713	2.2
175.11180	0.8
177.12909	0.4
185.04283	0.5
193.12245	1.6
195.10023	0.6
203.05386	0.4
210.07112	0.3
211.13367	0.7
213.14943	0.3
226.85857	0.3
229.14369	0.9
243.08426	1.3
243.15891	0.4
251.12608	1.3
267.16016	0.8
285.16998	0.8
299.39127	0.4
307.15192	0.4
413.17746	7.7
461.28860	0.4
469.20511	6.8
479.30121	0.6
607.55664	0.3
623.34064	0.6
640.44794	1.0
641.31384	100.0
642.31787	6.1
668.35663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	1.7
55.05518	5.7
57.03434	1.1
58.79250	0.5
60.84849	0.5
61.02932	2.4
63.57715	0.4
65.03947	0.8
67.05169	0.6
67.05508	12.3
67.70486	0.5
69.03423	0.8
69.07073	5.0
71.04991	1.4
73.02912	0.8
73.33286	0.5
75.26121	0.4
77.03916	0.5
79.05496	12.3
81.03427	1.1
81.07057	13.6
83.04959	1.4
83.08629	2.8
84.04492	0.9
85.02884	2.4
85.06538	0.9
91.03958	1.1
91.04942	1.0
91.05481	14.4
93.07046	12.2
95.04977	3.6
95.08602	9.6
96.08934	0.5
97.02916	0.9
97.06528	2.0
97.10173	1.7
99.08092	0.5
99.56441	0.5
103.05519	0.8
105.07025	13.5
107.04941	1.3
107.05659	0.6
107.08595	7.2
109.06512	1.4
109.10152	4.4
111.08075	1.0
113.80736	0.5
115.05435	0.7
117.07029	7.7
119.08582	10.3
121.06525	1.1
121.10175	3.9
123.08047	1.4
127.03963	0.6
128.06212	0.7
129.06999	4.7
131.08560	12.6
133.06540	1.2
133.10123	6.2
135.08063	1.3
135.11705	2.7
137.09642	1.2
141.06999	2.3
142.07838	0.8
143.08551	5.2
145.06488	0.9
145.10114	6.9
147.08092	1.0
147.11711	2.4
149.09633	0.7
149.13251	1.3
151.11180	0.8
155.08545	3.4
157.10071	4.0
159.08086	1.0
159.11685	3.3
161.09666	0.7
161.13284	1.0
167.08542	1.1
169.10147	2.2
171.11688	2.7
173.13268	1.3
175.11156	0.9
177.12811	0.8
181.10081	1.3
183.11743	1.7
185.13290	2.0
187.14847	1.2
195.11739	1.7
197.13300	1.9
201.12689	1.0
209.13269	1.2
211.14853	1.2
213.12535	0.6
223.14838	0.8
225.16277	0.8
227.14452	0.9
233.15407	0.9
245.15329	0.6
247.16931	1.1
255.17500	0.7
259.17105	0.7
260.11261	0.5
261.18506	1.1
269.17328	0.9
275.20126	0.9
325.25510	0.8
335.23694	1.6
343.26437	1.5
350.24319	0.6
353.24628	3.8
371.25800	4.2
387.97760	0.5
389.26770	4.1
427.28073	0.6
445.29489	100.0
446.29834	6.2
463.30569	23.6
463.37222	1.0
464.30646	0.7
527.37207	2.0
544.36938	1.3
545.38104	1.1
607.34863	0.9
624.42847	0.7
642.29822	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	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85472	1.6
55.05521	10.6
56.88044	1.5
57.03435	4.6
57.06820	2.7
57.07076	29.3
67.05505	35.0
69.07066	12.5
71.08633	26.3
74.74586	1.4
79.05495	17.7
79.99992	1.5
81.07055	37.3
83.04977	6.4
83.08616	13.7
85.06545	1.5
85.10181	12.2
86.19037	1.5
91.05484	12.3
91.68554	1.6
93.07042	24.4
95.04961	5.2
95.08603	27.6
97.06534	5.2
97.10185	6.1
98.22744	4.4
99.08102	5.7
105.07018	7.9
107.08606	13.2
109.06596	1.5
109.10137	12.9
111.08128	3.1
117.07039	6.7
119.08580	3.5
121.10143	5.1
123.11726	3.0
126.39680	1.5
131.08589	5.5
133.10143	5.9
135.11674	4.4
139.11131	1.8
147.11760	1.8
149.13220	8.0
151.11182	4.8
158.31639	1.6
159.11705	4.6
163.11154	3.4
163.14867	1.8
174.16400	1.6
195.13841	5.7
239.23698	3.5
241.19489	2.1
269.17487	11.4
277.21649	5.9
313.27374	33.6
314.27753	2.2
320.70755	1.6
331.14462	1.6
351.25363	10.4
368.44339	1.7
507.40454	100.0
508.40790	7.3
589.47784	5.7
607.48071	2.4
615.68097	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	643.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	0.6
56.96563	9.5
60.89577	0.2
63.50850	0.2
84.95551	0.4
84.96027	3.8
85.02856	0.3
97.02905	0.3
98.04167	0.2
98.97579	44.1
101.00897	0.3
110.97565	19.5
112.99131	2.6
116.98619	12.3
120.43799	0.2
121.63203	0.3
124.99090	1.7
126.97068	0.5
128.98604	14.5
131.00157	1.5
134.99669	2.0
140.98625	2.3
142.43037	0.2
143.00151	5.0
143.01878	0.3
144.98076	0.9
146.99631	4.6
149.01154	0.5
152.98595	6.6
158.99635	4.8
161.01210	2.9
165.00578	0.3
170.99637	7.9
177.00729	2.6
179.02333	0.4
182.99643	0.4
185.01178	0.6
189.00717	3.6
194.99641	1.2
195.01421	0.3
201.00682	6.8
209.01215	1.1
213.00815	0.6
219.01758	51.8
220.02046	0.6
227.02223	2.7
237.02803	61.2
238.03142	0.9
239.02118	1.3
242.03372	0.6
245.01389	0.4
247.92307	0.3
251.02237	0.4
255.03787	2.3
257.03229	0.8
260.04416	0.5
261.02722	0.7
263.02286	2.9
269.03214	0.5
279.03922	0.6
281.03351	1.5
311.04306	1.3
329.05411	10.3
345.04904	0.4
347.06482	4.4
359.02881	0.3
363.06058	2.3
371.06479	100.0
372.06787	2.4
374.53769	0.3
389.07565	7.9
412.08884	0.4
455.08725	0.3
473.09732	2.2
477.09454	0.4
583.13538	1.5
636.44910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96323	0.7
56.96562	7.4
69.03400	1.5
71.82715	0.5
81.03421	0.6
82.99846	1.5
84.96030	3.5
85.02892	2.1
88.21898	0.6
95.04991	2.7
97.02880	2.6
98.22687	2.1
98.97580	34.3
101.00867	7.6
110.97565	14.1
112.99158	2.6
113.00871	1.2
116.98626	9.3
119.01917	13.0
124.99110	1.2
127.02394	3.3
128.97760	0.8
128.98613	10.9
131.00201	1.2
131.01868	3.6
133.03452	0.6
134.99678	1.5
137.00832	0.7
137.02940	1.0
139.02409	0.6
140.98586	1.8
143.00195	4.5
143.01891	11.3
144.98090	1.2
145.03476	17.0
146.99646	3.3
152.98586	4.3
153.04031	0.6
155.01903	6.3
157.03461	4.5
158.99629	4.1
159.01393	1.7
161.01254	2.3
161.02957	19.4
163.04633	2.9
167.01871	1.5
169.03464	3.7
170.99689	5.5
171.04985	3.7
171.06262	0.7
171.36751	0.6
173.02927	6.5
174.00282	0.5
175.04491	1.6
177.00656	2.9
179.01912	2.6
182.99643	0.8
185.02965	6.9
185.06509	0.9
187.02850	0.9
187.04509	10.9
187.08279	0.8
189.00691	2.8
189.06065	3.8
191.03932	1.1
195.04951	3.2
197.02959	10.7
201.00690	5.6
203.02133	0.8
203.04002	13.8
209.01280	1.0
213.06090	27.2
214.06255	1.0
215.02235	0.7
215.04016	1.5
219.01759	39.2
220.02150	0.9
221.05069	13.7
227.02223	1.1
227.04129	0.7
229.03622	0.9
229.05556	4.1
231.07140	22.4
233.03040	0.9
237.02800	43.1
238.03136	1.2
243.07265	0.9
245.05069	100.0
246.05264	3.2
247.06636	13.7
255.03860	1.7
255.07172	2.1
257.03464	0.9
263.02423	1.3
263.06128	21.7
264.06482	0.7
271.06628	0.8
273.08203	7.9
281.03256	0.9
286.07761	0.8
291.09262	2.0
311.04416	1.0
315.09149	1.1
319.12146	0.7
329.05515	6.4
333.10437	15.0
341.09164	1.4
341.59488	0.6
347.06351	2.9
351.11380	14.2
363.06046	1.7
371.06494	76.5
372.06927	2.5
375.11392	2.2
389.07550	5.4
393.12521	4.0
445.15308	1.7
463.16702	11.5
473.09503	1.6
481.17633	20.8
482.17868	1.2
583.13171	1.4
625.21594	4.4
643.22729	3.7
650.19012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44082	0.3
55.05478	0.4
67.05437	1.0
69.06999	0.5
79.05414	0.9
81.03345	1.2
81.06978	1.0
91.05428	0.8
93.07008	0.7
95.04915	0.4
95.08542	0.6
105.06974	0.7
107.08533	0.4
109.10101	0.5
133.10072	0.5
147.11591	0.4
267.15918	0.4
275.19977	0.3
396.12335	1.1
397.12973	2.0
398.13730	0.7
399.14542	0.6
406.83286	0.3
409.12988	0.8
410.13657	2.9
411.14441	5.9
412.15244	4.3
413.15918	2.6
423.14987	1.6
424.11301	1.5
424.15335	1.9
425.16245	11.3
426.16916	9.1
427.17603	2.2
428.18289	1.4
437.16150	1.2
438.13193	3.3
438.17624	1.1
439.13531	13.2
440.13879	1.7
440.19296	4.4
441.19290	33.0
442.19824	3.1
451.13617	0.7
452.14261	4.2
453.15311	15.4
454.15805	5.0
455.16891	0.5
456.13458	0.5
457.14902	0.4
463.14175	0.8
465.15189	0.6
466.12143	0.5
467.17203	24.0
468.17847	13.1
469.18781	12.0
470.19687	1.5
471.16586	0.5
479.17334	0.4
480.17566	0.5
481.14755	15.3
482.15289	4.9
485.18130	0.7
486.18723	0.6
494.15646	0.7
495.15927	3.2
496.17117	15.0
497.17700	3.2
498.18863	0.6
499.16727	0.6
508.19409	0.5
509.18298	2.2
510.19061	0.6
511.18970	0.3
512.20624	1.2
513.21594	0.4
514.22736	2.1
523.19641	1.3
527.23700	2.6
528.19531	0.3
528.22772	0.3
538.18042	0.4
540.19861	0.5
542.21301	0.7
545.38416	1.1
551.19458	0.5
555.22388	23.2
556.22729	3.0
568.19397	1.0
583.21881	100.0
584.22119	12.3
586.20941	0.4
587.24756	1.2
611.21521	2.2
614.23761	0.5
615.24512	9.9
616.24896	1.4
643.23889	79.7
644.13440	0.6
644.24072	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	643.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
62.60465	0.7
63.80135	0.8
65.46928	0.8
65.87689	0.7
67.05501	4.7
69.07075	1.2
69.12135	1.5
69.12536	4.4
71.08625	1.2
71.19853	0.8
74.53222	0.7
79.05491	3.4
81.07055	3.2
91.05509	1.8
93.07045	2.6
95.08624	2.1
97.10226	0.9
98.22720	2.2
105.07050	2.5
107.08577	1.0
109.10146	1.4
117.07024	1.0
119.08603	1.3
129.07088	0.9
131.08557	1.9
133.10123	1.0
135.11690	1.2
147.11571	0.9
159.11620	1.1
164.11522	0.8
168.55789	0.8
179.14438	0.9
183.67470	1.0
210.11490	1.0
211.12276	0.9
223.12352	1.0
233.10852	0.9
235.12158	1.0
261.13901	2.2
274.14117	0.9
275.15237	1.5
290.16373	0.8
291.19458	3.2
306.60388	0.8
311.14487	0.9
313.15744	0.8
316.17874	1.1
328.18341	1.4
329.18170	0.9
340.17938	1.5
352.18228	1.4
354.19644	1.3
363.16132	1.1
377.17612	3.8
378.18674	1.3
379.19272	3.5
381.20740	1.2
391.19278	6.2
392.19968	3.4
393.20657	3.0
394.17834	1.2
395.18689	2.3
405.20657	2.2
406.21506	2.6
407.22534	6.8
409.20190	6.1
421.24194	6.1
423.21777	6.2
424.22330	2.2
425.23514	1.4
440.23135	1.5
440.99872	0.9
448.21548	1.0
450.20908	0.9
451.21353	3.2
465.22794	11.4
466.23569	1.7
477.22928	1.0
479.24258	4.1
480.24792	1.3
481.22955	1.0
482.23141	1.4
493.25656	1.6
494.26364	2.2
495.28125	4.3
497.25455	2.7
507.27615	1.4
509.25623	1.3
511.27100	11.9
523.22809	1.1
525.28424	2.0
526.29907	1.1
537.24951	3.9
539.26447	1.7
541.27917	2.3
545.37964	2.3
552.27301	1.9
553.27625	1.3
555.26251	2.0
567.29626	18.2
568.30157	2.2
569.27747	4.6
583.29199	7.1
584.29382	4.7
599.32300	100.0
600.32483	8.8
611.28516	1.3
625.44287	2.5
643.31531	11.8
643.45679	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	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01871	0.8
55.05513	4.8
57.03210	0.4
57.03440	3.9
57.24210	0.4
58.16065	0.5
61.02634	0.5
61.02928	8.2
65.03941	0.4
67.05502	6.1
69.03427	2.4
69.07068	2.4
70.62124	0.5
71.04982	1.3
73.02915	2.9
79.05488	7.6
81.03417	32.7
81.07053	8.5
83.04982	6.1
83.08620	11.6
85.02405	0.8
85.02908	14.9
87.04461	0.4
90.60013	0.4
91.03963	7.0
91.05482	9.5
91.40124	0.4
93.07048	5.1
93.76047	0.4
95.04968	12.6
95.08599	3.1
97.02890	5.7
97.06519	1.5
97.10169	1.5
99.04465	0.7
99.08089	0.4
105.07021	6.8
107.04946	2.4
107.08569	2.4
109.06498	1.9
109.10160	0.9
111.04453	1.1
111.08073	5.4
113.05987	0.4
115.05428	0.4
117.06942	0.6
119.08577	6.7
121.06507	0.7
121.10127	3.5
123.08075	0.8
123.11701	0.5
125.09583	0.4
127.03909	2.6
127.07580	0.5
129.07024	3.8
131.08568	4.8
133.06488	1.4
133.10158	3.9
137.09637	0.5
142.07805	0.7
145.04951	3.8
145.10109	0.8
147.07993	1.1
147.11690	6.8
149.09613	2.1
157.08861	0.5
157.10133	7.8
163.06024	5.3
165.12740	1.6
166.91214	0.4
175.11200	9.5
193.12248	35.9
194.12558	1.1
211.13286	28.9
212.13608	0.7
229.14394	1.6
247.60062	0.4
267.15912	15.9
285.16962	100.0
286.17264	3.8
303.18015	1.1
385.46545	0.4
429.21152	0.8
447.22241	1.0
464.11462	0.4
626.23724	0.4
649.16632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01863	1.5
55.05509	4.4
56.03658	0.3
57.03174	0.6
57.03434	4.7
61.02924	6.5
67.05502	5.6
69.03421	1.6
69.07065	2.3
69.39587	1.8
70.63351	0.4
71.04983	1.7
73.02916	2.9
73.53384	0.4
77.03955	0.3
79.05491	6.0
81.03416	27.0
81.07052	8.1
83.04978	4.8
83.08620	8.8
85.02901	14.0
85.06552	0.4
87.04441	0.5
91.03950	5.5
91.05479	9.0
93.07037	4.9
95.04967	9.3
95.08607	3.5
97.02887	3.8
97.06528	1.5
97.10170	1.3
99.08035	0.5
105.07027	6.5
107.04939	1.6
107.08604	2.1
109.06506	2.2
109.10148	1.1
111.04424	0.9
111.08074	4.1
113.06004	0.9
115.05476	0.6
119.08587	5.8
121.06507	1.0
121.10135	3.5
123.08063	0.8
125.09572	0.5
127.03915	1.6
129.07011	3.8
131.08577	3.9
133.06496	1.3
133.10115	4.0
137.05983	0.4
137.09564	0.9
142.07791	0.7
145.04926	2.0
145.10057	0.6
147.08037	1.1
147.11682	6.5
149.09604	2.4
157.10133	5.7
163.06012	3.1
163.11180	0.5
165.12764	1.3
175.11177	6.6
181.44772	0.4
183.23714	0.4
189.12587	0.5
193.12233	22.4
194.12521	0.7
211.13284	17.5
212.13599	0.5
217.12294	0.5
229.14285	0.5
253.14291	1.3
267.15909	6.8
271.15454	0.5
285.16956	100.0
286.17313	2.9
289.16510	0.7
306.27747	0.4
403.81207	0.4
429.21378	1.8
438.63794	0.4
446.56561	0.3
447.22226	3.4
597.94110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67440	1.9
53.03947	6.5
55.05510	65.5
56.05843	2.0
57.03432	4.7
57.07071	3.7
59.05006	2.9
65.72504	1.9
66.45092	1.9
67.05509	25.2
69.03431	16.3
69.07068	50.5
71.01359	2.7
71.05003	16.4
73.02918	2.9
79.05486	25.0
81.03415	42.5
81.07053	70.6
83.04993	8.9
83.08614	10.1
85.02901	8.8
85.06525	2.8
91.05471	21.2
92.05786	2.1
93.07043	63.4
93.07603	4.3
95.04977	16.7
95.08604	56.7
97.02902	6.4
97.06533	11.1
97.10169	100.0
98.10497	3.5
98.22717	5.4
99.04478	8.7
99.08051	3.0
105.04501	1.9
105.07028	31.3
107.04964	5.9
107.08590	43.2
109.02863	33.1
109.06528	14.4
109.10156	42.6
111.04453	6.2
111.08072	5.4
111.11712	3.7
113.09652	2.6
117.06970	9.3
119.04947	2.6
119.06156	2.0
119.08582	30.0
121.06518	6.2
121.10139	46.9
122.10612	2.1
123.04431	5.4
123.08073	13.0
123.11700	12.0
125.09632	20.8
127.03910	17.4
128.06148	1.9
129.07008	2.7
131.08559	9.9
133.06500	3.4
133.10136	26.1
135.08060	8.3
135.11702	27.7
137.09613	10.3
139.07520	2.0
139.11191	21.3
141.09102	3.5
142.07747	2.9
143.08588	7.5
143.10667	20.9
145.10129	23.0
147.04407	10.8
147.08070	4.5
147.11687	15.0
149.09673	10.9
149.13268	14.0
151.07588	3.8
151.11186	8.5
153.12715	5.9
155.08521	2.8
157.10118	11.0
157.12228	7.1
159.08090	4.5
159.11665	16.2
161.05954	2.2
161.09621	10.5
161.13303	7.7
163.11217	12.5
163.14919	2.7
165.09114	5.8
165.12781	4.2
171.10191	2.7
171.11717	5.3
173.09676	3.6
173.13239	5.0
175.11162	9.9
175.14841	5.6
177.12755	6.6
179.10774	2.8
181.12216	12.0
183.11671	2.7
185.13281	5.3
187.14876	2.3
189.11270	6.1
189.12764	3.4
189.16492	3.2
191.10617	3.4
191.14284	3.1
195.13803	4.5
199.11244	2.4
199.14928	2.3
201.12796	3.2
207.13771	2.9
209.15454	2.5
211.11246	3.4
217.15733	2.6
231.13858	2.8
233.15366	2.0
247.16907	2.5
255.21051	2.8
257.19003	2.6
273.22122	9.1
275.19904	9.6
283.20517	6.0
291.22992	10.4
293.21085	6.7
301.21628	33.3
302.22131	3.3
307.22632	2.7
319.22659	36.0
320.23035	2.4
337.23666	17.9
381.09970	2.6
399.25269	3.2
409.23712	6.0
417.26004	3.7
419.24249	5.2
427.24762	13.6
433.25558	3.7
435.27261	4.0
437.25153	12.1
445.25922	18.8
451.26791	5.6
463.26877	77.2
464.27118	7.6
469.27444	3.3
473.19943	3.8
481.27960	43.2
482.28278	2.2
499.28809	6.3
644.32635	3.4
645.30603	36.1
662.93256	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	644.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01870	9.1
55.05514	39.6
57.03427	22.4
65.03947	4.0
67.05498	80.0
69.03439	5.5
69.07066	32.9
70.50335	3.4
70.52966	3.1
71.01716	2.6
71.04992	12.0
71.47906	2.5
79.05495	61.5
80.05830	2.9
81.03415	100.0
81.07053	89.6
83.04971	14.1
83.08618	33.8
85.06540	8.4
91.05474	61.5
93.07045	66.2
94.07410	3.8
95.04967	38.5
95.08599	40.7
97.06529	14.6
97.10166	18.0
105.07027	46.3
107.04945	15.4
107.08598	37.1
109.06509	9.2
109.10154	13.0
111.08085	9.4
117.07029	16.2
119.08572	42.9
121.06521	9.0
121.10111	23.4
123.08061	7.0
125.09622	13.1
129.07001	14.9
131.08565	31.3
133.06485	4.4
133.10114	27.7
135.08078	8.0
135.11696	17.1
137.09650	7.6
142.07793	3.8
143.08568	13.0
145.06499	3.6
145.10133	19.2
147.08089	5.0
147.11676	23.0
149.09573	14.8
149.13275	12.1
150.54303	2.7
151.11244	5.8
155.08612	5.0
157.10164	12.6
159.11693	14.1
161.09662	3.5
161.13297	4.8
163.11177	13.5
169.10144	5.8
171.11702	5.3
173.09621	2.9
173.13222	5.2
175.11229	9.7
177.12788	4.2
183.11745	4.6
189.11243	8.0
193.12230	33.5
197.13242	3.6
199.14799	5.0
211.13309	5.7
227.12735	19.5
239.18011	3.6
249.14755	5.7
255.15959	20.5
257.19034	5.6
267.15903	93.5
269.17526	29.6
271.88327	3.2
275.20090	26.9
349.23749	22.7
351.23279	3.9
367.24350	4.5
369.24313	5.4
382.86179	3.0
443.27875	8.6
447.27255	27.2
449.30392	3.6
459.26575	3.7
461.29013	81.2
462.29361	6.9
465.31302	3.7
493.31464	11.2
509.60556	2.9
541.35388	37.9
546.38513	4.7
559.36188	15.8
582.60248	3.3
591.38916	4.3
644.29437	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	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.2
69.07063	0.6
69.23087	2.1
69.93610	0.4
79.05486	0.7
81.07076	1.4
89.06025	0.8
91.05499	0.9
93.07040	0.5
95.08641	0.7
105.07077	0.6
109.10118	0.5
112.65296	0.4
114.89751	0.4
119.08609	0.5
121.10105	0.7
129.07005	0.4
129.76266	0.4
133.08682	0.6
133.10120	0.5
145.07651	0.5
173.07133	1.1
176.27498	0.4
179.62848	0.4
210.11656	0.4
223.12505	0.6
233.09180	1.0
235.12306	1.1
236.13138	1.9
237.13899	1.6
238.14682	0.5
249.13979	0.9
251.11855	0.8
251.15459	1.3
261.13925	3.8
277.21497	0.5
279.15012	3.4
280.15674	1.0
340.18011	0.6
354.18756	0.8
355.19498	0.5
358.19592	0.5
365.17850	1.3
368.20248	0.7
369.20828	2.0
379.19315	1.8
381.21021	0.6
393.20889	0.8
397.20221	1.1
408.19800	0.6
409.20090	0.5
411.17972	0.8
413.19583	0.5
422.18863	0.9
425.19742	4.2
427.21558	0.6
437.19678	1.1
438.20917	0.8
439.21414	2.7
440.21457	0.7
442.23471	0.6
449.17380	1.0
450.18198	0.8
452.21991	0.6
453.23087	0.7
455.21042	0.9
462.18158	0.6
466.19894	1.3
470.23532	0.6
471.24063	1.2
475.27155	0.8
481.22351	2.4
482.21265	0.5
484.21182	1.3
499.23361	9.4
500.23813	1.0
508.21463	0.6
512.24292	0.8
513.24994	4.9
514.25812	1.0
518.21057	0.5
525.24988	7.8
526.25153	2.2
529.28180	1.3
530.39313	0.8
532.27740	0.8
536.21948	1.1
539.26471	1.3
540.23944	0.6
547.39673	0.8
553.24292	0.6
554.25098	1.0
557.27911	2.7
558.28314	0.7
567.26471	1.0
568.25085	0.6
569.19214	0.8
569.27441	0.5
585.26868	6.2
586.27393	3.3
596.23773	1.0
613.26581	3.5
627.28131	3.7
645.29144	100.0
646.29517	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	646.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	1.3
55.05256	0.6
55.05510	6.8
57.03438	8.7
57.07066	0.9
57.18018	0.4
61.02924	1.6
65.03939	0.8
67.05505	30.8
69.06707	0.7
69.07067	10.0
71.01357	2.1
71.04993	3.1
73.02910	0.9
73.39432	0.4
77.03929	0.6
79.05494	22.5
81.03425	2.6
81.07057	28.3
82.07375	0.5
83.04980	5.3
83.08621	5.4
85.02934	1.7
85.06547	2.4
91.03923	0.4
91.05482	9.1
93.07044	32.0
95.04966	4.1
95.08598	7.4
97.02914	1.2
97.06531	7.2
97.10166	5.0
99.04452	0.4
99.08083	1.1
105.04529	1.4
105.07015	3.3
107.04957	1.1
107.08591	17.9
109.02888	0.4
109.06524	1.1
109.10162	2.3
111.08092	2.9
117.07014	3.2
119.08587	2.8
121.06503	0.6
121.09294	0.5
121.10142	7.7
123.11734	0.6
125.09614	0.9
131.08586	2.7
133.10109	3.8
135.08049	1.1
135.11690	23.1
137.09671	0.5
145.10112	3.7
147.11597	0.8
149.13245	10.9
153.12749	0.5
159.11693	4.8
163.11154	2.6
165.12813	0.4
177.11455	0.3
177.12747	2.1
181.12234	3.9
195.13776	4.0
199.13388	0.6
241.14786	0.4
247.61659	0.4
255.15910	27.9
269.17484	24.9
270.17862	0.3
286.63376	0.4
336.20862	0.4
356.67505	0.4
431.27777	0.5
449.28979	100.0
450.29385	4.1
453.66687	0.4
521.35699	0.4
611.68359	0.4
629.30029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05509	7.2
57.03223	0.6
57.03439	7.3
59.39508	0.6
60.91609	0.5
61.02920	2.1
65.03939	0.6
67.05504	27.9
69.03434	0.9
69.07066	10.2
70.73209	0.7
71.01337	1.2
71.04985	2.6
77.03930	0.6
79.05042	1.2
79.05492	21.7
81.03413	3.8
81.07055	26.2
83.04987	3.9
83.08619	6.0
85.02898	2.0
85.06539	2.3
91.05480	10.7
93.06442	1.4
93.07042	28.1
95.04967	3.5
95.08603	6.6
97.02917	1.7
97.06532	5.8
97.10162	4.4
99.08064	0.9
102.49600	0.6
105.04548	1.0
105.06415	0.6
105.07020	3.8
107.04963	1.0
107.08588	18.5
109.06534	0.9
109.10149	3.2
111.08095	2.3
117.06993	3.6
119.08582	2.4
121.06535	1.1
121.10165	6.4
123.11736	1.1
125.09652	1.0
129.60751	0.6
131.08575	2.9
133.10114	4.7
135.08142	1.0
135.11700	19.7
137.09657	1.0
145.10126	3.9
147.11676	1.1
149.13275	6.3
151.11090	0.6
157.10158	0.9
159.11671	3.2
161.63361	0.7
163.11201	3.0
177.12767	1.8
181.12242	2.9
188.46768	0.7
193.04897	0.8
195.13797	3.6
213.14867	0.8
218.47733	0.7
239.16354	1.3
255.15901	27.2
269.17480	15.1
431.27643	1.2
449.28964	100.0
450.29312	5.5
480.30276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01869	6.6
55.05511	42.5
57.03428	7.5
57.07078	6.9
65.03935	3.7
67.05505	28.2
69.03423	20.1
69.07071	60.4
71.04974	7.2
79.05474	17.6
81.03423	32.4
81.07059	90.6
82.07368	3.0
83.04987	11.8
83.08617	9.9
85.02895	12.0
85.06532	9.5
91.05482	18.1
93.07045	42.8
95.04958	23.2
95.08606	50.3
97.02872	8.4
97.06533	15.8
97.10172	64.7
98.23521	6.6
99.04458	7.6
99.08068	8.2
105.07054	25.2
107.04967	5.2
107.08582	37.6
109.02898	33.5
109.06539	14.6
109.10152	35.7
111.04444	6.9
111.08054	17.6
111.11710	13.8
117.07013	8.3
119.08575	29.8
120.59581	3.0
121.06477	7.3
121.10133	44.2
122.75195	2.9
123.04405	3.9
123.08070	10.6
123.10874	5.7
123.11702	63.6
125.05967	5.2
125.09631	9.9
127.03928	17.2
129.05504	3.0
129.07025	4.3
131.08531	13.4
133.10129	19.3
134.10307	3.2
135.08070	5.2
135.11710	26.9
137.09604	9.4
137.13263	7.3
139.04675	3.0
139.11186	39.9
143.08560	7.2
143.10675	5.0
145.10129	22.8
147.04407	6.2
147.08028	4.3
147.11693	22.3
149.09618	9.1
149.13254	9.0
151.11214	5.5
153.12746	7.1
157.10107	5.1
157.12228	19.2
159.08069	5.0
159.11649	17.2
161.09637	5.2
161.13234	10.7
163.11195	9.4
163.14755	3.9
165.09091	6.7
165.12769	8.3
169.10124	5.6
169.12225	4.4
171.08066	4.4
171.11720	5.0
173.13191	9.1
175.11186	6.0
177.12761	10.3
177.16362	3.9
179.10687	4.0
181.12178	3.5
183.11734	5.2
185.13278	3.7
187.11195	5.4
187.14783	4.7
189.12727	4.6
203.10660	3.6
203.12708	6.1
213.12776	5.2
227.14406	3.9
245.15291	5.7
251.16556	6.4
265.18005	5.0
273.05914	3.4
275.23688	4.1
285.22168	4.5
291.23087	5.1
303.23108	24.0
321.24142	26.8
329.15796	4.2
337.23849	3.3
339.25513	7.2
357.68872	3.6
361.13437	3.2
382.09412	3.9
387.25217	4.0
411.25241	11.6
417.26398	6.4
429.26321	32.4
431.24161	13.0
435.27179	7.8
447.27417	67.3
449.25146	12.8
453.28363	11.2
465.28497	100.0
474.19562	3.9
483.29407	37.4
501.30917	3.5
646.30969	44.7
647.30139	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	646.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95929	2.3
53.03932	5.3
54.90634	2.3
55.01867	6.9
55.05506	34.4
57.03441	20.8
57.07076	3.7
58.86991	2.4
59.63808	2.5
62.91286	2.2
67.05505	73.7
69.03428	5.0
69.07066	22.1
69.58627	5.1
71.04993	8.6
71.08620	11.4
73.06545	2.5
79.05492	54.3
81.03416	87.2
81.07053	68.1
83.04988	15.7
83.08615	29.0
85.06516	5.9
91.05479	45.0
93.07046	52.9
95.04974	34.1
95.08609	27.0
97.02857	2.9
97.06532	12.3
97.10163	19.5
99.08083	11.6
99.14653	3.0
105.04495	3.3
105.07017	38.6
107.04951	9.0
107.08583	31.2
109.06514	7.9
109.10157	15.8
111.08096	13.6
115.05466	4.0
117.07027	12.2
119.08584	23.9
120.54674	2.6
121.06509	6.5
121.10173	20.3
123.08099	7.3
123.11724	3.4
125.09634	18.4
129.07014	15.2
131.08560	22.1
133.06474	5.8
133.10129	18.4
135.08087	3.5
135.11664	5.3
142.07751	3.0
143.08577	3.0
145.06418	2.6
145.10143	7.2
147.08058	7.4
147.11684	14.1
149.09613	8.3
149.13284	8.3
151.11180	10.8
153.09100	3.1
155.08578	2.6
157.10121	14.9
159.11674	8.8
161.13271	5.4
163.11160	7.8
167.08591	3.3
171.11627	5.7
173.13112	3.5
175.11133	9.1
177.12746	3.4
180.27959	3.3
183.11662	2.9
185.13217	3.7
189.11205	11.1
189.12711	3.4
193.12250	24.7
195.13826	6.3
199.11148	3.0
221.15146	3.4
227.12756	23.5
245.13857	4.8
246.92081	3.3
249.14876	5.5
259.17807	2.8
259.20358	3.2
267.15918	74.9
269.17490	32.8
275.19855	3.4
277.21805	16.4
349.23767	3.2
351.25620	19.0
365.23145	2.9
369.24301	7.0
387.25430	4.1
437.25262	11.3
443.27930	11.8
445.29456	4.8
447.27444	7.1
451.31815	4.9
461.28955	100.0
493.31827	18.3
543.36871	42.5
561.37598	11.5
647.35883	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	647.1242
Annotation	3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.01592	0.5
50.22455	0.1
51.02359	0.4
53.00307	0.2
53.03936	0.1
55.01868	0.5
55.05514	0.6
62.38189	0.1
65.03936	2.0
68.02641	0.2
68.99790	0.3
69.03429	0.7
69.07053	0.1
69.46606	0.3
71.01339	0.4
74.46040	0.1
77.91434	0.1
79.01849	7.1
79.05477	0.2
80.02190	0.1
81.03396	0.7
81.07043	0.1
83.01331	0.1
83.04970	0.7
85.02895	0.2
91.05476	0.3
93.03414	0.4
93.07050	0.2
95.08564	0.1
96.02122	0.6
97.02891	1.4
103.05470	0.2
104.10728	0.1
107.01310	1.8
107.04940	0.3
109.02861	0.3
109.99961	0.1
110.03614	0.1
111.04431	0.8
119.04931	0.6
120.02084	0.1
121.10109	0.1
123.00746	0.3
124.01552	0.3
125.02348	4.2
126.03156	0.1
131.04926	0.5
135.04388	0.2
137.02319	0.2
138.03142	0.1
139.03870	0.3
143.03387	8.4
145.02840	0.2
145.85640	0.1
147.04410	0.8
148.05209	0.1
149.05974	0.1
151.03931	0.3
152.01053	0.7
153.01817	100.0
153.02885	6.3
154.02112	0.9
157.04951	6.5
158.05229	0.1
159.04384	0.5
162.03096	1.3
163.03885	1.5
164.04617	0.2
165.01865	0.2
165.05403	0.1
167.03380	72.0
168.03716	0.8
173.02338	0.2
175.03896	1.0
176.04666	0.3
177.05441	0.9
178.02652	0.1
179.03419	0.5
179.07031	0.2
180.00560	0.5
181.04939	0.3
187.03859	0.5
190.02576	1.1
191.03372	10.9
192.03961	0.3
193.01215	0.1
193.04930	0.5
195.01186	0.2
195.02859	1.9
195.06555	0.2
197.04477	0.5
199.03816	0.1
203.03406	0.1
204.04112	0.6
205.03020	0.2
205.04948	3.5
207.02869	0.3
207.06541	0.6
208.03551	0.4
209.04469	1.0
211.02328	0.2
213.03937	0.6
215.03331	0.5
216.04166	0.3
218.02060	0.6
219.02835	0.3
219.06482	0.9
221.04405	0.8
223.06006	2.2
225.03899	0.2
231.06573	0.1
232.03603	0.3
233.04424	4.2
235.05983	0.8
236.03142	0.1
237.03870	0.1
243.02800	0.6
245.04361	0.1
247.05995	1.6
249.03986	0.1
251.05487	18.9
252.05710	0.3
255.05087	0.4
257.04404	0.1
260.03152	1.1
263.05521	1.3
269.06549	0.4
275.05481	4.5
281.06445	0.3
293.06525	3.8
311.07541	0.7
319.04575	0.1
333.05890	0.1
403.06165	0.1
418.63269	0.1
445.07422	0.2
459.08838	0.1
463.08783	0.4
477.10205	0.1
495.11270	0.3
647.30133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.03442	1.1
59.29599	0.9
67.05506	3.0
69.32952	4.3
71.08653	0.9
76.20800	0.8
76.86615	0.8
79.05496	2.5
81.03413	2.2
81.07063	3.1
83.08628	1.0
88.76950	0.9
89.06050	1.4
91.05497	2.5
93.07047	2.5
95.04975	1.5
95.08609	1.4
97.06549	1.2
97.10180	1.4
99.04414	0.9
105.07063	2.8
107.08612	1.3
109.06548	0.8
109.10162	1.8
114.69279	0.8
118.28799	0.8
119.08591	1.8
121.10170	1.3
122.29168	0.7
125.09626	1.7
129.07048	1.1
131.08586	1.0
133.10159	1.1
135.08017	0.9
147.08101	1.1
157.10188	1.0
163.11125	1.0
171.11562	1.5
213.47412	0.9
227.12759	1.3
267.15942	1.4
365.70111	0.9
431.39417	0.9
452.93875	0.9
485.28741	2.9
543.36444	1.8
544.37402	1.2
589.45349	0.9
608.77875	0.9
647.33948	100.0
648.34216	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	647.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01869	6.4
55.05521	13.7
55.34613	1.5
57.03432	2.7
57.07075	3.8
65.03951	4.1
67.05505	14.4
67.37872	1.6
67.41516	2.0
69.03428	11.7
69.07069	23.8
70.17159	2.0
71.05000	2.2
71.44807	2.1
79.01856	5.4
79.05486	8.3
81.03423	14.3
81.07056	38.0
83.04974	6.8
83.08602	4.4
85.02892	5.1
85.06550	17.9
91.05482	6.9
93.07045	21.6
94.96603	1.8
95.04974	15.1
95.08603	24.5
97.02891	5.4
97.06532	11.8
97.10154	10.3
99.08083	5.2
104.10749	2.2
104.53192	2.0
105.07047	15.4
107.08591	21.6
109.02892	10.6
109.06525	5.6
109.10162	17.5
111.04475	5.3
111.08084	52.3
111.11736	6.8
119.08578	17.3
121.06516	3.2
121.10145	12.2
123.08037	1.7
123.11733	13.4
125.02386	2.1
125.09644	4.6
127.03875	10.7
131.08632	3.1
131.19284	1.7
133.10150	10.8
135.08028	4.1
135.11678	10.4
137.05940	3.0
137.09608	3.9
137.13286	3.5
139.11188	10.7
143.03418	6.7
143.08591	2.8
145.10155	5.1
147.04442	3.1
147.11716	8.6
149.09575	3.1
149.13287	6.3
153.01834	71.2
153.02927	4.0
153.12733	4.3
157.04987	11.1
157.10118	3.6
157.12254	4.1
159.11681	6.9
161.06000	2.1
161.13275	5.4
163.03798	1.8
163.11128	4.0
165.12712	9.6
167.03394	100.0
168.03694	3.0
175.11195	2.1
175.72197	1.9
177.02061	1.8
177.05370	2.6
177.09012	2.1
187.14874	1.9
189.16382	5.2
191.03403	6.5
195.02940	2.0
205.15805	2.0
209.04480	2.4
217.15993	2.1
223.06288	2.3
223.16924	2.6
235.16937	7.8
243.70035	1.8
251.05487	12.7
253.17979	25.6
275.05536	5.2
275.23743	4.1
303.23254	13.1
305.24951	3.9
315.19556	2.1
321.24249	28.7
339.25150	4.3
361.20074	5.3
367.85873	2.0
379.21045	9.7
391.42114	1.9
397.22165	17.8
415.23120	3.3
429.26422	5.0
447.27423	12.0
453.28391	2.9
465.28479	20.6
483.29404	8.6
615.23688	1.9
647.30548	36.7
648.29962	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	648.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.5
53.03919	2.3
55.01847	1.9
55.05511	12.4
57.03438	35.4
61.02901	2.1
65.03905	0.8
67.05505	18.8
69.03403	2.4
69.07076	7.1
71.01360	5.0
71.04996	3.6
71.19399	0.5
73.02901	1.1
77.03901	1.0
79.05495	37.9
81.03418	41.1
81.07056	18.4
82.03703	0.7
83.04534	0.9
83.04982	12.7
83.08620	25.5
85.02900	12.9
85.06520	1.5
91.03932	1.4
91.05479	21.2
93.07045	47.1
95.04974	18.1
95.08611	12.1
97.02897	3.4
97.06515	2.9
97.10121	2.4
99.08061	1.1
105.04485	1.6
105.07030	12.4
107.04936	5.3
107.08044	0.6
107.08599	7.2
109.06486	2.4
109.10135	1.8
111.04389	1.2
111.08089	5.8
113.05978	1.7
117.06988	1.5
119.08576	11.9
121.06471	1.9
121.10145	37.5
122.10470	0.8
123.08044	1.9
123.11741	1.0
125.09597	2.1
129.07018	6.6
131.08557	10.6
133.06435	1.4
133.10126	5.8
137.09586	1.2
139.11176	11.5
142.07738	1.5
147.08008	2.7
147.11703	8.0
149.09615	9.5
157.10121	8.5
165.12761	2.2
167.10675	9.8
175.11189	9.8
185.11726	1.5
192.09842	0.6
193.12245	26.3
211.13295	35.3
239.12831	1.0
241.14339	100.0
242.14684	3.7
267.15909	21.2
268.16150	1.1
269.17615	0.8
285.16968	25.5
286.17346	1.0
291.20871	0.6
389.23145	0.8
407.24298	2.0
433.25845	34.9
434.26135	2.1
451.26910	92.4
452.27423	5.4
612.51239	0.6
613.70892	0.8
678.49524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37125	0.7
53.03942	2.9
55.01869	3.2
55.05514	12.0
57.03436	19.6
57.07075	1.7
61.02918	6.2
65.03939	2.9
67.05503	65.6
69.03423	3.4
69.07064	21.2
70.84686	0.9
71.04997	6.0
73.02913	1.2
73.06562	0.9
76.41183	0.8
77.03925	1.4
79.05491	35.2
81.03415	63.7
81.07053	62.2
81.07564	1.2
82.07352	1.0
83.04980	8.5
83.08618	14.1
85.02900	15.0
85.06538	3.4
91.05478	77.9
92.05833	1.4
93.07041	64.5
94.07381	1.3
95.04970	9.2
95.08604	30.6
95.09214	1.7
96.08945	0.8
97.02894	5.8
97.06534	9.3
97.10158	1.8
99.04427	1.8
99.08102	2.1
105.04494	1.9
105.07033	11.6
107.04952	1.8
107.08589	28.2
109.06519	4.2
109.10156	17.4
111.08092	5.9
111.11687	1.1
113.06050	0.8
115.05418	1.1
117.07024	7.1
119.08579	87.2
120.08950	1.4
121.06504	6.8
121.10143	22.1
123.08087	2.8
123.11663	1.0
125.09596	1.2
129.06958	4.1
131.08542	7.0
133.10107	5.1
135.08049	3.5
135.11681	6.3
137.09612	42.5
139.11163	1.6
143.30507	0.8
145.04976	0.8
147.08049	9.4
147.11749	1.4
149.09700	1.3
149.13246	24.8
150.13658	1.6
157.10072	1.3
159.11703	12.2
165.09106	36.4
166.09427	1.2
177.12724	3.7
183.10167	13.3
193.12314	1.5
195.13815	10.5
204.38022	0.8
210.03201	0.9
211.13313	1.0
213.14793	1.5
221.11742	1.6
239.12772	44.0
240.13077	1.6
241.14352	3.2
257.13834	53.2
258.14285	1.0
267.15945	1.5
269.17462	95.4
270.17776	3.4
283.82355	0.9
343.28494	0.7
353.57413	0.9
369.18353	0.9
389.23297	1.0
407.24191	1.4
433.25839	96.0
434.26154	5.5
451.26886	100.0
452.27130	6.0
595.31549	1.1
648.29614	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	649.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46886	0.4
53.55074	0.5
53.76770	0.4
55.05502	1.0
57.03429	2.1
57.07067	0.6
61.02916	3.8
67.05499	2.3
69.03429	2.2
73.02917	2.3
79.05487	3.6
81.03424	2.3
81.07050	3.5
83.04986	1.1
83.08604	0.9
85.02885	3.0
87.04462	0.9
88.07642	0.9
91.03979	1.6
91.05480	4.3
93.07034	3.9
93.35022	0.5
95.04972	0.9
95.08601	1.3
97.02903	2.9
101.02373	0.6
103.61230	0.6
105.07043	1.9
106.08640	0.6
107.04977	0.7
107.08588	1.9
111.08038	0.5
117.07027	0.7
119.08575	1.0
121.10136	3.7
123.08076	0.6
127.03904	0.9
131.08589	0.8
133.10161	1.7
139.11221	1.3
147.11688	0.9
149.09659	0.8
153.01855	1.5
161.09598	0.8
167.10635	0.7
171.11816	0.5
189.12846	0.6
243.08478	1.6
247.13127	1.0
256.26370	0.6
274.27399	9.9
278.36014	0.5
294.48761	0.5
303.06683	0.5
392.98096	0.6
425.17798	6.6
437.17712	2.1
437.23331	0.8
440.45523	0.5
453.21005	2.8
465.21066	2.1
475.39993	0.5
563.85229	0.5
605.26245	1.1
649.31842	100.0
650.31952	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	649.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.7
67.05526	1.0
69.27976	0.7
79.05510	1.2
79.29955	0.7
81.07065	1.4
91.05488	1.0
93.07041	1.0
95.08630	2.2
98.23351	3.4
100.07124	0.7
105.07027	0.7
107.08622	1.1
109.10220	0.9
113.63975	0.7
119.08587	0.8
121.10146	1.0
123.04472	1.0
153.01848	9.6
153.03032	1.0
158.53006	0.7
229.37292	1.0
251.05760	1.2
395.24255	2.1
434.26624	1.9
539.28162	1.5
619.30914	1.9
649.31940	100.0
650.32306	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	649.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70547	0.7
55.05515	1.7
57.03439	1.7
59.88453	0.8
66.53829	0.7
67.05505	3.9
69.07069	1.5
71.43894	0.7
73.21439	0.7
79.05514	3.2
79.78889	0.8
81.03445	1.8
81.07079	3.2
83.05009	1.2
83.08642	1.8
91.05464	3.5
93.07050	3.7
95.04986	1.9
95.08634	2.6
105.07066	3.0
107.08636	2.5
108.15810	0.7
109.06566	1.0
109.10160	1.7
111.08051	0.7
117.07070	1.1
119.08640	2.2
121.10201	3.1
125.09746	0.7
129.07018	0.7
131.08546	1.4
133.10158	0.8
135.11684	0.7
139.11230	1.2
145.10165	1.5
153.01868	2.6
157.10146	1.7
159.11737	0.9
163.11221	0.8
167.10785	0.7
197.13272	1.0
207.11848	0.8
257.45642	0.7
283.15057	6.8
333.20322	4.1
339.17685	3.9
389.23260	1.5
390.47495	0.7
487.34708	0.9
491.11105	0.7
496.67297	0.9
649.39447	100.0
650.39752	5.3
661.51324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02380	0.7
54.01718	0.1
59.94532	0.2
69.03424	0.3
69.52172	0.3
69.52552	0.3
79.01853	4.5
79.05519	0.2
81.03447	0.2
81.97972	0.1
85.02904	0.4
87.30280	0.1
88.40291	0.1
96.08765	0.1
97.02862	0.9
107.01317	1.1
109.02880	0.2
111.04430	0.3
121.02843	0.2
123.00842	0.2
125.02341	2.8
131.04892	0.3
133.02852	0.2
137.02287	0.1
138.03152	0.2
139.03896	0.5
143.03395	6.1
147.04425	0.2
149.02298	0.4
150.03142	0.7
153.01823	100.0
153.02881	5.2
154.02141	1.6
159.04391	0.3
162.81592	0.2
163.03935	0.3
165.05382	0.2
166.02628	0.3
167.03394	0.4
175.03799	0.2
176.04585	0.2
177.01814	1.7
177.03229	0.2
180.00467	0.2
181.04959	1.4
187.03949	0.2
190.02618	0.2
191.03415	0.8
191.06900	0.2
194.02124	1.9
195.02863	0.6
197.04463	0.3
205.04971	0.4
209.04448	16.3
210.04839	0.4
217.80225	0.1
219.06549	0.4
221.04337	0.3
223.05968	0.3
233.04329	0.7
235.05980	0.2
237.03889	0.5
247.05952	0.4
251.05470	2.3
251.07819	0.2
255.05000	2.1
257.04581	0.2
263.05511	0.5
275.05463	1.2
293.06500	1.1
305.02911	5.1
311.07556	0.4
407.05969	0.4
445.07669	0.2
446.68979	0.1
463.08682	0.4
481.09772	0.4
617.28265	0.1
620.39587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.2
55.05495	12.8
55.38708	2.6
57.07071	5.1
59.04996	2.9
62.47617	3.0
66.84587	2.6
67.05494	21.2
69.07082	13.4
71.05000	4.4
71.39841	2.9
77.03917	3.2
79.05500	22.3
81.07059	34.2
83.04981	8.5
83.08618	8.0
85.02906	12.3
85.06552	5.5
91.05474	29.2
93.07046	41.5
95.04965	24.0
95.08598	36.5
97.06518	9.9
99.04449	4.3
103.05404	2.8
105.07029	54.3
106.07791	3.0
107.08604	42.1
109.06519	100.0
109.10136	28.9
111.04441	4.6
111.08088	8.5
117.07025	16.2
119.08573	65.7
121.10143	28.1
123.08072	5.7
123.11697	7.2
125.09596	5.1
128.06212	7.8
129.07005	8.6
130.07794	6.1
130.85555	2.7
131.08563	34.5
133.10136	37.2
135.08064	7.9
135.11702	13.8
137.09616	23.8
142.07767	11.8
143.08553	25.9
144.09344	10.0
145.10130	58.7
147.08034	6.3
147.11685	16.9
149.09615	9.1
149.13245	4.8
151.11134	3.3
153.01802	17.6
153.09151	3.3
155.08539	10.4
155.10663	45.9
156.09319	5.5
157.10114	38.6
158.10814	6.3
159.08064	3.9
159.11713	33.0
160.12140	3.9
161.09630	7.5
161.13281	4.9
163.11208	4.0
168.09334	5.8
169.10103	11.2
170.10890	6.1
171.11671	18.0
173.13231	20.7
175.11137	5.8
175.14871	17.2
177.12773	3.0
179.08572	5.8
181.10115	9.9
182.10828	6.1
183.11678	15.9
184.12349	3.5
185.13263	7.8
187.11137	4.4
187.14822	11.1
189.12737	4.6
193.10258	4.3
193.15800	3.2
194.10889	3.8
195.10121	4.0
195.11732	10.8
196.12463	5.6
197.13268	16.0
199.14803	5.8
201.12787	4.4
201.16422	5.2
203.14246	3.2
207.11650	6.4
209.13261	16.6
210.13902	3.5
211.11174	3.5
211.14737	8.8
219.17403	3.7
221.13271	6.3
223.14813	12.4
225.16458	3.1
235.15027	3.2
237.12695	3.3
249.16283	3.1
251.18031	3.6
253.19518	3.5
253.52133	3.1
265.19464	4.0
269.18875	3.1
271.20544	6.7
277.30228	2.8
283.20566	5.7
284.21283	2.9
285.22141	6.3
297.04285	3.3
297.22202	7.2
320.95255	2.9
328.23849	3.6
345.25681	3.4
363.26791	37.0
420.30243	36.1
436.30060	5.3
632.40472	3.9
650.40631	47.3
651.41284	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	650.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16026	0.3
56.05023	0.6
57.26596	0.3
58.06592	0.6
60.08162	7.0
67.05460	1.0
69.11919	2.0
71.07375	4.2
76.33267	0.3
79.26656	0.3
81.07041	0.6
86.09703	34.0
87.09988	0.5
88.39070	0.3
93.32241	0.3
98.22670	0.5
98.98463	3.9
104.10741	2.9
104.60433	0.3
109.10175	0.4
125.00002	23.3
153.01811	0.5
184.07336	100.0
185.07748	0.6
650.43970	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	651.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02371	0.7
53.00314	0.1
55.01884	0.2
57.03437	0.2
57.09959	0.1
58.78355	0.1
61.30333	0.1
68.99799	0.1
69.03423	0.6
69.34329	0.5
73.02908	0.1
79.01853	6.5
79.05499	0.4
80.02164	0.1
81.03417	0.3
85.02905	1.5
91.05463	0.1
93.03412	0.1
94.27382	0.1
94.39288	0.1
95.01333	0.1
95.05000	0.1
97.02890	1.3
103.03940	0.4
107.01313	1.5
107.04938	0.3
109.02888	0.3
110.03642	0.2
119.04965	0.2
121.02855	0.3
123.00790	0.2
125.01440	0.1
125.02353	3.3
125.06013	0.3
127.03905	0.6
131.04936	0.4
133.02882	0.5
138.03128	0.8
143.03397	7.5
144.03781	0.2
147.04405	0.3
149.02342	0.4
150.03140	0.8
151.03958	0.2
152.01102	0.2
153.01825	100.0
153.02888	6.0
154.02161	1.9
154.03360	0.2
159.04405	0.8
162.03139	0.4
163.03934	0.4
165.01860	0.1
165.05414	0.3
166.02603	0.8
167.03391	1.0
171.02902	0.4
171.06566	0.1
172.11121	0.1
173.02483	0.1
175.03938	0.3
176.04680	0.3
177.01820	1.6
177.05473	0.4
178.02667	0.2
179.03375	0.2
180.00563	0.7
181.04947	10.4
182.05330	0.3
187.03893	0.7
188.04707	0.1
190.02611	0.2
191.03387	2.3
192.08447	0.1
193.04912	0.5
194.02097	1.2
195.02881	4.3
197.04477	0.6
199.03891	0.2
203.03453	0.1
204.04189	0.3
205.04950	1.3
207.06448	0.2
209.04446	15.9
210.04808	0.4
211.02341	0.3
213.03850	0.5
215.03340	0.6
216.04143	0.2
218.02029	0.1
219.02991	0.2
219.06557	0.6
221.04362	0.9
223.06052	0.5
225.03931	0.3
229.05008	0.2
231.02911	0.2
232.03627	0.3
233.04422	1.6
235.06073	0.2
237.03970	0.6
243.02829	0.2
247.05991	1.9
249.03954	0.2
251.05499	5.0
252.05795	0.2
255.05019	3.3
255.07465	0.1
257.04364	0.2
260.03119	0.4
263.05493	1.2
265.06937	0.1
273.06003	0.1
275.05484	4.4
276.05969	0.2
281.06595	0.2
293.03268	0.2
293.06525	3.2
297.05969	0.2
305.02823	0.3
311.07642	0.7
330.82370	0.1
403.06021	0.1
407.05920	0.3
444.57782	0.1
445.07544	0.4
449.07047	0.1
463.08783	1.3
464.08395	0.1
467.08093	0.4
481.09628	0.4
615.08875	0.2
633.11151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.05502	1.3
55.33930	0.7
57.03428	2.5
60.20105	0.5
61.02922	3.3
63.39746	0.6
67.05508	3.6
69.03408	1.3
69.07086	1.0
71.01355	1.2
71.43866	0.6
73.02907	2.3
78.04630	0.6
79.05488	3.1
81.03419	2.7
81.07055	4.3
83.08623	1.6
85.02905	3.5
85.06535	0.7
91.03955	2.4
91.05473	1.2
93.07046	5.1
95.04980	0.8
95.08617	1.3
95.31350	0.6
97.02884	3.4
97.06560	1.2
101.02365	1.2
103.03951	0.7
105.07030	1.7
107.08582	2.5
107.09299	0.7
109.02819	0.8
109.10163	1.3
117.07051	1.6
121.10133	3.2
127.03928	0.9
131.08656	0.7
131.17453	0.7
135.08075	1.6
135.11745	0.7
148.03854	0.6
149.13269	0.8
153.01842	2.2
163.07629	0.8
163.11119	0.9
167.10663	1.0
221.07857	1.5
243.08440	2.5
370.71497	0.8
417.26407	0.7
425.17719	6.8
439.15869	2.9
453.20929	3.8
467.18942	2.6
651.29755	100.0
652.30029	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	651.3352
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
53.03952	0.4
53.51928	0.3
55.05508	0.9
57.03431	1.1
61.02921	3.3
67.05502	4.2
69.03423	2.3
69.07053	1.5
70.39771	0.6
71.01357	0.7
71.04994	0.6
73.02918	2.3
79.05480	3.0
81.03425	1.4
81.07053	4.5
83.04987	1.0
83.08627	0.7
85.02906	3.0
85.06531	0.4
87.04491	0.3
89.67585	0.3
91.03944	1.9
91.05471	1.7
93.07035	4.3
95.04982	0.5
95.08595	1.3
97.02882	2.6
97.06523	1.1
97.10178	0.5
98.23397	0.4
99.04471	0.6
101.02368	1.3
105.04494	0.3
105.07034	0.9
107.08582	2.9
109.02917	0.9
109.06564	0.3
109.10139	0.3
111.08051	0.4
118.54050	0.3
119.08615	0.4
121.10158	1.4
123.08058	0.4
127.03889	1.3
131.08604	0.8
133.10181	0.7
135.11659	2.7
144.39278	0.3
145.10149	0.5
147.11639	0.5
149.13271	2.3
153.01804	0.4
159.11693	0.8
177.12782	0.4
183.40659	0.2
185.04243	0.4
195.13797	0.5
215.71745	0.3
221.11584	1.0
235.13109	0.9
243.08403	2.4
255.15919	0.4
269.17706	0.4
277.14163	0.3
291.15817	0.4
369.76910	0.3
439.19357	5.5
453.20929	10.0
454.21387	0.3
473.42789	0.4
535.51508	0.3
631.48615	0.3
651.33429	100.0
652.33759	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	651.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05508	1.2
57.03429	1.4
61.02927	4.1
64.03148	0.4
65.03944	0.5
67.05508	4.2
69.03434	2.3
69.07053	1.5
69.95201	1.0
69.95503	0.6
71.01359	0.6
71.04991	0.6
73.02911	2.7
78.11980	0.4
79.05495	4.1
81.03416	1.8
81.07057	4.9
83.04967	0.7
83.08619	1.3
85.02907	4.3
85.06555	0.4
91.03965	3.3
91.05476	2.7
93.07045	4.3
95.04975	1.5
95.08629	0.9
95.38940	0.4
97.02895	3.3
97.06532	1.3
97.10159	0.5
98.23358	0.5
99.04411	0.7
101.02396	1.3
105.07030	1.8
107.08606	3.0
109.10188	0.9
111.08086	0.5
117.06993	1.1
119.08591	1.0
121.06527	0.6
121.10133	1.5
123.11725	0.9
127.03935	1.0
131.08586	0.7
133.10110	1.1
135.11710	2.5
143.08525	0.6
145.10089	0.9
149.13248	1.3
153.01839	1.1
157.10110	0.7
159.11612	0.5
167.10722	0.7
171.11652	0.5
181.12186	0.6
195.13814	0.8
211.23854	0.5
221.11497	0.6
233.13040	0.5
235.13138	0.8
243.08345	2.1
303.94394	0.4
332.17267	0.5
360.57559	0.5
439.19385	8.4
453.20889	6.4
454.21161	0.6
489.28650	0.5
651.33423	100.0
652.33881	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	651.3353
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
54.49007	0.3
56.89387	0.2
67.05492	0.4
70.40963	0.6
79.70403	0.2
81.03421	0.4
81.07051	0.4
81.64101	0.2
85.02928	0.4
93.07037	0.4
95.04984	0.3
95.08617	0.5
97.02906	0.3
97.06530	0.3
105.07060	0.3
107.08560	0.2
109.10121	0.3
111.04308	0.3
118.76997	0.2
123.04436	0.4
153.01854	1.3
154.02193	0.5
171.48151	0.3
188.61678	0.3
191.03493	0.4
195.13689	0.3
249.02425	0.2
281.17383	0.3
295.18954	0.9
397.25546	3.3
486.59213	0.3
525.30347	0.5
541.29675	2.2
603.30640	0.4
651.33472	100.0
652.33789	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	651.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
58.32906	0.6
60.58032	0.6
63.55499	0.7
64.07436	0.6
65.33930	0.5
67.05509	2.5
69.77028	2.4
79.05510	1.6
81.03448	0.7
81.07063	3.5
83.08633	1.0
91.05501	2.5
93.07074	2.3
95.04986	1.2
95.08630	1.4
97.87537	0.6
105.07036	1.0
107.08620	1.4
109.10169	1.4
119.08636	0.9
121.10196	1.0
129.94141	0.7
131.08597	0.9
133.10153	0.9
143.08678	0.6
147.11711	1.4
149.09689	1.0
153.01894	1.2
163.11223	1.2
179.08473	0.6
181.12308	2.8
283.15155	7.1
283.55408	0.7
284.15329	0.9
335.21805	4.8
339.17694	5.1
391.24756	2.6
489.36200	1.0
645.28107	0.9
651.40845	100.0
652.41223	7.0
677.14166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.82072	0.2
57.03435	0.3
66.06432	0.2
69.03427	5.1
69.06955	0.2
70.03764	0.2
70.69557	0.3
71.04995	0.3
73.02925	0.5
79.01858	0.3
79.02757	0.2
80.93754	0.1
81.03436	0.8
84.12859	0.2
85.02898	1.7
97.02884	0.5
99.04466	0.8
103.05505	0.5
109.02852	0.2
119.04937	0.3
126.24613	0.2
127.03920	2.2
131.04915	0.5
143.03432	0.2
145.04929	0.2
147.04407	0.6
151.52318	0.2
153.01822	4.0
153.03021	0.2
154.02115	0.2
157.02867	0.6
159.04451	0.2
171.03078	0.2
175.03909	1.3
185.02306	1.0
187.03912	3.2
188.04398	0.2
201.01985	0.2
203.03371	2.5
213.01840	2.5
215.03378	3.1
229.01353	0.6
231.02879	14.0
232.03290	0.2
241.01305	2.1
247.02510	0.4
257.00781	0.5
259.02377	25.3
260.02798	1.0
275.01782	0.6
276.02783	0.3
277.03421	100.0
278.03790	3.3
285.00351	0.3
290.52573	0.2
303.01346	9.3
315.01315	0.2
321.02377	2.2
429.04404	0.3
465.06799	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	652.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01894	0.3
56.37824	0.2
57.03453	0.7
69.03436	4.7
69.78480	0.3
71.01366	0.2
71.05004	0.7
73.02924	1.0
78.83420	0.2
79.01856	1.0
81.03432	2.8
83.01382	0.3
85.02921	2.0
87.04497	0.8
89.75233	0.2
90.49670	0.2
97.02915	1.3
98.23161	0.6
99.04477	0.7
101.02389	0.4
103.05499	0.5
107.01334	0.5
108.04485	0.3
109.02896	2.5
119.04949	0.3
125.02402	0.6
127.03922	5.6
131.04962	0.4
134.52853	0.2
143.03442	1.5
144.03773	0.2
145.04991	0.4
147.04408	1.8
153.01845	20.5
153.02907	1.2
154.02167	2.7
155.02246	0.3
157.02890	0.6
159.04437	0.2
163.03972	0.3
171.02946	0.7
173.02402	0.5
175.03947	1.4
181.05014	0.8
182.05255	0.3
185.02344	0.9
187.03925	3.7
191.03409	0.6
195.02954	0.3
201.01836	0.5
203.03397	2.4
205.05037	0.2
209.04399	1.0
210.04790	0.4
213.01833	2.9
215.01363	0.3
215.03409	3.5
216.03711	0.2
219.02986	0.5
229.01396	1.0
231.02908	14.4
232.03305	0.6
233.04408	0.4
241.01308	2.5
247.02441	1.4
248.06296	0.2
257.00824	1.9
259.02411	27.8
260.02795	1.1
261.03784	0.2
275.01843	2.6
275.04984	0.3
276.02664	1.4
276.05310	0.2
277.03452	100.0
278.03775	3.4
285.00327	1.4
297.06116	0.4
303.01379	26.2
304.01700	1.1
315.01419	0.2
315.07190	0.4
321.02417	2.0
343.00482	0.3
357.05829	0.3
385.05661	1.0
387.03525	0.6
411.03790	0.3
429.04364	0.7
446.99707	0.4
447.05606	6.3
448.05701	0.5
465.06723	4.4
472.38800	0.3
617.07599	0.3
635.08545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.3
57.01602	1.1
57.03449	5.5
57.07088	1.8
59.05012	3.4
61.02928	4.5
62.69672	0.9
65.03944	2.7
67.05509	100.0
69.03432	2.4
69.07072	4.7
71.04994	20.6
71.45853	1.1
73.02911	2.1
76.05928	1.1
79.05489	9.8
81.03404	1.9
81.07062	61.4
83.04995	1.9
83.08625	9.0
85.02911	6.5
85.03334	1.1
85.06542	10.5
91.03984	1.7
91.05488	16.6
91.97153	0.9
93.07058	10.9
95.04977	2.3
95.08604	9.1
97.02905	2.4
97.06574	3.4
99.08134	2.0
105.07043	5.7
107.04968	1.2
107.08595	7.8
109.10163	76.2
111.08049	5.6
117.07026	1.8
119.08587	5.6
121.10157	3.0
123.11728	11.6
131.08521	1.7
133.10129	12.6
135.11690	1.8
137.09615	3.8
145.10141	1.2
149.13264	3.5
151.11189	6.9
155.10706	4.7
159.11682	3.4
169.12279	1.4
173.11752	16.3
176.36151	1.1
177.12749	2.2
183.13756	2.3
187.13345	5.9
195.13747	1.1
201.14922	1.1
213.14821	1.2
229.14336	21.3
229.16354	1.9
243.15977	1.0
253.17896	1.3
255.88615	1.1
257.17532	2.3
265.38217	1.5
267.15900	1.2
269.17554	2.6
280.46164	1.1
281.17517	2.0
301.20145	13.5
397.25882	80.7
398.26175	4.5
411.27246	4.3
423.27432	40.4
423.33194	2.0
424.27863	2.8
455.30081	96.1
456.30356	5.3
473.28918	2.1
607.99652	1.1
652.34167	3.9
653.30029	3.9
678.47784	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	653.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30333	0.8
66.30746	0.7
98.23503	1.6
106.06611	0.9
115.53485	0.9
126.35635	0.8
146.04390	0.9
206.27461	0.8
288.99664	0.8
400.17072	0.9
403.19550	1.2
415.15363	1.1
419.18674	1.4
445.20917	1.5
461.19931	1.4
471.17889	1.9
474.20819	0.9
488.18082	0.9
489.18637	1.1
497.19852	1.3
505.22131	1.9
515.20270	1.5
516.18347	0.8
519.24280	1.2
547.23456	7.5
548.23584	1.0
549.03461	0.9
557.21918	4.0
575.22766	7.1
576.23401	1.0
603.22119	1.9
617.24097	1.1
635.25006	100.0
636.25323	4.8
640.33594	1.0
653.26410	5.0
654.82288	0.9
676.75824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81569	0.6
60.78654	0.5
64.46150	0.6
67.05483	2.1
69.03399	1.0
79.05480	2.2
81.03399	1.3
81.07036	2.8
83.04968	0.6
91.05460	1.5
92.06966	0.5
93.07037	1.8
95.08614	0.7
97.02879	0.8
97.06527	0.6
105.07044	0.8
107.08608	0.6
109.06395	0.5
119.08637	0.6
125.18249	0.5
228.23151	1.2
241.07629	0.8
261.91245	0.6
281.17493	1.3
287.11639	0.8
441.20724	0.7
473.28674	1.0
487.18628	1.2
635.34430	0.8
653.28918	100.0
654.29626	5.3
681.58685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01859	0.6
55.05505	1.1
56.11072	0.2
57.03438	3.6
60.09586	0.2
61.02927	3.6
67.05499	3.3
69.03428	2.2
69.07074	0.9
71.01347	0.8
71.04985	0.6
73.02914	2.5
79.05495	3.4
79.76435	0.2
81.03422	2.7
81.07060	2.3
83.04987	1.0
83.08613	1.9
85.02904	4.5
87.04484	0.3
91.03966	2.4
91.05483	2.1
92.90704	0.2
93.07040	4.0
95.04964	0.8
95.08627	1.7
96.09910	0.2
97.02895	3.3
97.06590	0.2
97.10188	0.3
98.23489	0.5
99.04485	0.6
99.08117	0.3
101.02370	1.4
101.50736	0.2
103.03967	0.4
105.07050	1.0
107.08598	0.6
109.02889	0.4
109.10156	1.2
115.03920	0.4
119.08582	1.1
121.10133	4.5
123.11701	0.4
127.03927	1.1
129.07042	0.5
131.08591	1.0
133.10165	0.6
135.11720	0.3
137.13217	0.3
139.11188	1.1
147.11693	0.7
149.09637	0.4
152.64006	0.2
157.10136	0.6
167.10703	1.1
175.11145	0.6
185.04259	0.4
193.12286	0.8
203.05251	0.3
207.09911	0.6
211.13374	0.4
229.14481	0.4
241.14368	0.7
243.08418	1.7
251.12601	1.2
263.12549	0.5
284.16058	0.3
285.16931	0.3
302.17059	0.3
307.15286	0.3
307.26279	0.7
325.27371	0.5
425.17828	9.7
426.18057	0.3
469.20459	4.4
491.26578	0.4
653.31396	100.0
654.31677	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	653.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01873	0.8
55.05508	1.3
57.03445	2.6
61.02924	3.6
67.05509	3.7
68.05840	0.6
69.03429	3.0
69.07063	1.3
71.01356	0.4
71.04999	0.8
71.58273	0.4
73.02922	2.9
79.05502	3.2
81.03420	4.5
81.07059	3.0
83.05003	1.4
83.08622	1.4
85.02914	5.1
85.06526	0.6
87.04452	0.5
91.03971	2.1
91.05476	2.6
93.07047	4.6
95.04965	0.9
95.08604	2.1
97.02886	3.4
97.06554	0.5
97.10194	0.5
99.04460	0.7
101.02396	0.8
105.07041	1.4
107.04977	1.0
107.08612	1.5
109.02888	0.4
109.10136	2.0
110.10509	1.0
111.08099	0.5
115.03953	0.4
117.07043	0.4
119.08600	1.5
121.06488	0.4
121.10155	3.8
123.08029	0.5
127.03938	1.5
129.07007	0.9
131.08591	1.2
133.10184	0.6
137.09616	0.5
139.11179	0.8
145.10112	0.3
147.11682	0.7
149.09692	1.4
157.10104	0.9
165.09169	0.7
167.10712	1.2
173.11760	0.6
175.11243	0.5
185.04308	0.5
193.12296	1.2
197.49287	0.4
202.96721	0.4
207.09937	0.7
211.13217	0.6
229.14279	1.8
230.14835	0.9
241.14420	0.4
243.08464	1.6
251.12547	0.6
301.16589	1.1
302.16843	0.5
310.81085	0.4
324.26248	0.5
411.78311	0.4
425.17834	8.7
426.18210	1.0
434.57935	0.4
441.17450	0.8
451.19302	0.5
453.20898	0.9
456.26788	1.7
469.20541	3.8
491.26193	0.5
653.31396	100.0
654.31726	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	653.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
53.53484	0.2
55.01873	0.7
55.05514	1.5
57.03439	1.9
59.04981	0.3
61.02927	3.7
65.03925	0.3
67.05506	6.9
68.05834	0.5
69.03429	2.0
69.07059	1.5
71.01368	0.3
71.04984	0.6
73.02925	2.5
79.05492	2.2
81.03418	3.0
81.07059	5.3
82.07391	0.3
83.04989	0.6
83.08621	1.2
85.02909	4.3
85.06532	0.4
87.04477	0.2
91.03954	2.5
91.05482	4.5
93.07043	3.4
95.04990	1.1
95.08613	3.2
96.08909	0.2
97.02896	3.4
97.06533	0.8
97.10178	0.5
98.23516	0.3
99.04485	0.7
99.08096	0.3
101.02375	1.6
102.62299	0.2
103.03963	0.5
105.07023	1.1
107.05006	0.2
107.08601	1.6
109.02880	0.7
109.06506	0.2
109.10162	4.3
110.10497	0.6
111.08102	0.7
115.03931	0.3
117.07023	0.5
119.08582	4.2
121.06510	0.3
121.10169	1.2
123.08035	0.4
123.11704	0.6
125.09654	0.6
127.03906	1.4
129.05489	0.7
129.06978	0.3
130.05719	0.2
131.08594	0.5
133.10141	0.5
135.08043	0.4
135.11716	0.6
137.09630	1.8
139.11182	0.4
145.05017	0.3
145.10193	0.2
147.08052	0.9
147.11713	0.3
148.11945	0.2
149.13264	1.3
151.11249	0.2
151.14897	0.2
151.68306	0.2
155.10707	0.3
157.08650	0.3
157.10036	0.3
159.11737	0.6
165.09131	1.3
173.11760	0.9
174.12086	0.3
177.12863	0.3
183.10204	0.2
185.04271	0.5
189.11276	0.2
195.13780	0.3
199.13361	0.2
203.05179	0.3
223.09514	0.5
227.12737	0.3
229.14342	2.4
230.14670	1.3
235.13034	1.4
243.08427	1.8
257.13916	0.4
259.07913	0.4
267.15933	0.2
269.17538	0.4
279.12030	0.4
289.25735	0.2
291.15817	0.6
301.16452	1.1
302.16669	0.9
307.26392	1.7
325.27487	0.8
365.28757	0.2
384.24918	0.6
425.17993	0.7
438.26352	0.2
439.26523	0.3
441.17310	8.7
442.17899	0.3
453.14676	0.2
453.20978	4.3
453.26886	0.3
454.21603	0.2
455.26456	0.8
456.26648	2.2
491.26221	0.4
569.28625	0.2
653.31396	100.0
654.31793	7.4
655.27917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82493	0.4
58.20240	0.3
60.00449	0.3
63.93731	0.3
67.05506	0.4
81.03441	0.4
81.07079	0.6
82.22763	0.3
88.75380	0.3
91.05495	0.7
93.07070	0.6
95.08649	0.7
97.75674	0.3
98.51913	0.3
107.08607	0.5
111.04288	0.4
121.10141	0.3
123.08047	0.3
153.01848	0.7
153.17072	0.4
194.24454	0.3
237.14745	0.4
399.27036	1.1
425.18600	0.5
470.95605	0.3
543.31354	2.1
653.35059	100.0
654.35474	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	653.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35046	0.3
51.56818	0.2
52.61924	0.2
61.52935	0.3
62.95612	0.3
63.65994	0.3
65.57880	0.2
67.05501	0.3
67.14850	0.2
76.54231	0.2
81.07082	0.5
85.02923	0.3
91.05502	0.3
97.02934	0.4
105.06992	0.4
107.08639	0.4
111.04229	0.4
136.98515	0.2
143.99571	0.2
153.01874	0.6
163.05943	0.3
165.09038	0.3
167.61743	0.3
182.54523	0.3
185.80110	0.3
211.13068	0.3
217.76462	0.3
235.39392	0.3
237.90460	0.3
377.53879	0.3
399.27335	1.0
418.03024	0.3
543.31549	1.8
653.35089	100.0
654.35413	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	654.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
52.67283	0.2
60.14978	0.2
62.34986	0.2
69.03426	0.3
69.56519	0.3
79.01849	3.2
79.02287	0.3
81.03411	0.4
94.32331	0.2
96.36959	0.2
97.02887	0.9
101.47662	0.2
107.01323	0.8
109.02873	0.7
125.02362	2.4
127.03915	1.4
135.04384	0.2
142.02771	0.2
143.03403	5.2
153.01828	100.0
153.02882	5.0
154.02173	1.6
159.85342	0.2
171.02939	0.3
191.03412	0.8
209.04562	0.3
213.03938	0.3
215.03070	0.2
237.03929	3.9
261.03940	0.7
279.05017	1.4
297.06006	2.2
427.38245	0.2
449.07153	10.2
450.07590	0.4
467.08231	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	654.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83557	1.1
54.46650	1.1
55.05513	12.6
57.03435	6.8
57.07072	2.8
58.75204	1.1
61.02922	5.4
67.05506	25.8
69.03423	4.9
69.07071	24.4
71.04982	2.5
71.08619	1.9
73.02917	8.2
78.47911	1.1
79.05488	8.8
81.03419	6.1
81.07055	60.1
82.07439	1.2
83.04966	2.5
83.08618	12.9
84.05451	1.2
85.02914	10.9
87.04485	1.2
87.92012	1.0
91.03949	1.6
91.05473	5.3
93.07043	14.6
95.04939	1.3
95.08605	73.1
96.08968	1.1
97.02882	8.8
97.06583	1.5
97.10180	12.6
98.22642	2.8
99.04468	2.3
105.07034	6.7
107.04957	1.5
107.08590	12.3
109.02934	1.4
109.10155	41.0
111.08063	2.9
111.11684	5.9
113.06004	1.3
115.03934	2.8
119.08608	4.7
121.10149	12.9
122.10467	1.6
123.11694	18.8
125.09650	3.2
125.13287	2.7
127.03961	3.4
131.08566	2.7
133.10115	5.5
135.11679	6.5
137.09647	1.3
137.13261	9.0
139.11205	4.3
143.10730	1.9
145.05011	1.3
145.10127	2.6
147.11725	4.0
149.09666	1.8
149.13297	4.7
151.11200	3.2
151.14819	9.2
157.12285	2.2
159.11745	2.0
161.13287	3.7
163.11203	1.6
163.14790	2.7
165.12791	3.9
165.16414	1.8
167.10689	2.1
169.12364	1.3
173.11792	2.0
173.13237	1.5
175.11115	2.0
175.14854	3.6
177.16476	1.3
179.14331	4.5
181.12303	2.0
183.13815	1.9
189.16425	1.5
193.12309	1.3
193.15929	2.4
197.15387	2.0
201.16444	2.4
207.17416	2.3
209.15469	1.3
211.13313	2.8
215.17973	1.6
221.95657	1.2
223.16937	2.0
229.14442	3.6
233.18999	2.4
237.18555	3.8
243.08510	1.7
251.20149	1.8
267.15952	1.4
271.24234	2.4
289.25214	7.1
307.26309	94.3
308.26620	3.2
325.27365	52.7
326.27826	2.1
343.28601	5.0
385.24435	1.3
421.26004	1.2
425.17868	3.5
426.18109	6.6
439.26788	4.7
447.36139	1.2
458.28983	1.0
469.20599	1.4
470.20837	2.2
654.31738	100.0
655.32550	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	654.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60027	0.8
55.05521	9.9
57.03447	3.8
57.07048	2.2
61.02905	1.8
65.03932	0.9
67.05512	16.7
69.03403	3.0
69.07075	18.6
70.23315	1.4
71.04974	1.3
71.08630	0.8
73.02934	5.9
77.03700	0.7
78.73804	0.6
79.05510	5.7
81.03400	2.5
81.07066	67.3
82.07377	0.9
83.08191	0.8
83.08625	9.9
85.02914	7.2
85.06525	1.2
91.03952	0.9
91.05486	3.3
93.07044	9.5
95.04936	0.8
95.08617	79.9
96.08929	1.5
97.02911	5.6
97.06510	2.1
97.10175	9.8
98.22993	1.6
99.04454	1.7
99.08076	1.5
101.02348	0.7
105.04466	0.8
105.07057	4.4
107.08031	0.7
107.08600	7.9
109.10168	36.9
111.08065	2.7
111.11024	0.9
111.11719	5.5
113.05997	0.7
115.03924	2.5
119.08603	5.3
121.10166	8.7
123.11718	20.9
125.09625	1.9
125.13258	1.4
127.03910	1.2
133.10135	3.8
133.67911	0.7
135.11726	5.2
137.09639	1.6
137.13284	7.9
139.11163	4.6
141.09123	1.0
143.10631	1.6
145.04930	1.4
145.10104	1.5
147.11649	2.8
149.13303	4.5
151.11217	3.4
151.14828	17.7
155.10704	0.7
157.12271	3.8
159.11696	1.5
161.13261	4.0
163.14822	2.3
165.09126	0.9
165.12718	1.9
165.16371	2.5
169.12376	0.9
169.15959	0.7
173.13406	0.9
175.14848	2.6
177.12794	1.2
177.16379	1.4
179.14319	3.1
179.17917	0.8
183.13754	1.0
189.16353	1.9
191.14267	1.1
191.17957	1.3
193.15883	1.7
195.13788	1.0
197.15379	2.1
201.16339	1.4
203.12781	2.0
207.17482	1.0
215.17932	1.9
217.19351	0.9
219.17389	0.9
221.45657	0.7
223.17029	1.9
233.19000	1.9
235.20515	0.7
237.18579	4.8
243.08369	0.9
251.20032	2.7
253.21654	2.5
271.24261	2.3
289.25208	6.4
295.10226	1.1
307.26343	100.0
308.26614	3.3
325.27423	33.6
326.27570	1.2
343.28430	8.3
441.17465	1.3
442.17581	1.3
454.21271	1.8
622.50592	0.7
654.31787	42.8
655.33069	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	655.2766
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
52.34357	0.9
60.63311	0.8
67.05502	2.5
79.05511	2.1
81.07046	1.6
83.11050	0.9
84.04504	1.7
85.42159	0.9
85.75176	0.9
91.05496	1.4
93.07038	2.1
95.08646	1.1
98.22652	1.6
101.23815	1.0
101.53376	1.0
119.08599	0.9
121.64254	1.0
124.19608	0.9
125.46951	0.9
146.78474	1.0
147.48201	0.9
173.10916	1.0
227.11819	1.4
233.10623	1.2
251.11990	1.0
274.13284	1.1
276.15042	1.0
277.21506	1.2
300.14938	1.3
302.16678	1.4
304.14603	1.1
314.12534	1.1
328.14362	2.1
369.14423	1.2
391.19397	2.7
398.14886	1.4
407.22360	2.0
415.19296	1.7
416.19550	1.3
418.20926	1.1
426.14624	1.1
433.16217	1.8
435.22092	1.5
443.18201	1.5
444.18951	1.2
447.18015	2.8
448.18402	1.3
449.19681	2.2
457.20474	1.3
458.17319	2.6
463.21457	1.4
475.21820	1.6
476.18280	1.6
477.18973	3.8
489.19235	2.8
490.17871	1.9
491.20871	3.0
499.20547	1.1
501.22952	1.5
505.22394	1.8
508.24780	1.7
509.25421	2.2
517.22308	1.6
535.23608	5.0
537.24854	2.9
549.24689	3.3
557.38165	2.6
559.23352	10.2
561.24420	2.9
563.22821	6.8
564.23431	2.4
577.24451	15.2
579.26001	2.3
605.23944	26.8
606.24152	1.4
619.25146	3.2
623.25037	2.0
637.26593	100.0
638.26685	6.2
655.27423	13.0
655.39471	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	656.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05515	16.3
57.03432	2.0
60.56507	0.5
61.02920	2.2
65.03949	1.1
67.05507	16.6
69.03423	2.5
69.07078	5.3
71.04997	1.2
73.02930	0.8
79.05499	16.3
81.03421	2.4
81.07058	13.1
83.04979	1.9
83.08621	10.1
85.02907	2.4
85.06539	0.6
88.60328	0.5
91.03949	0.8
91.04939	1.1
91.05482	15.0
93.03386	0.8
93.07040	8.3
95.04974	2.4
95.08607	5.5
97.02908	1.6
97.06526	1.2
97.10175	19.2
99.08099	0.9
103.05476	8.3
103.93707	0.6
105.03389	1.0
105.04509	1.1
105.07032	13.7
106.07413	0.6
107.04951	2.1
107.08596	9.7
109.06488	1.5
109.10142	4.5
111.08092	2.0
115.05462	3.5
117.07026	24.3
118.07295	0.7
119.04980	0.7
119.08581	8.1
121.06528	1.7
121.10150	2.1
123.08135	1.4
123.11724	0.8
125.09638	17.6
125.10504	1.2
128.06235	1.7
129.05490	0.6
129.07002	10.3
131.04935	0.9
131.08569	17.8
133.06516	3.7
133.10129	3.3
135.08070	4.8
137.09563	0.7
141.06973	6.0
142.07768	0.6
143.04872	0.9
143.08557	4.8
143.10675	0.9
145.06487	5.4
145.10135	5.7
147.08060	2.6
149.09644	2.7
153.09108	1.9
155.08563	7.4
156.09331	0.7
157.06517	2.8
157.10146	3.9
159.08070	2.4
159.11705	1.4
161.09677	0.7
163.11176	1.1
165.06969	0.6
165.09145	0.7
167.08559	2.4
169.10124	5.9
171.08095	2.0
171.10324	1.2
171.11731	3.0
173.09645	1.4
173.13165	1.1
175.11145	1.1
181.10175	1.6
182.10994	0.7
183.08054	1.2
183.11656	1.2
185.09708	0.8
185.13272	1.4
187.11305	0.9
187.14827	5.7
189.11229	8.9
189.12837	1.0
193.10136	0.8
195.11694	1.9
197.13261	6.9
199.11223	1.1
209.13281	1.3
213.12796	1.8
215.14323	27.3
221.13248	1.1
225.12657	0.8
227.12740	13.1
227.14645	1.0
231.13756	0.7
233.13284	0.7
233.15372	1.4
237.12798	1.1
239.14352	0.7
241.12277	1.7
245.13805	1.9
255.13811	0.8
269.15332	1.2
271.16989	1.8
273.14951	0.8
283.20200	0.6
292.65125	0.6
321.22110	1.1
339.23169	1.8
349.21594	3.9
357.24112	0.8
367.22711	10.3
385.23822	5.9
403.24759	2.0
420.84811	0.6
423.24957	0.8
441.26389	45.7
442.26746	2.5
459.27423	100.0
460.27805	5.9
462.29324	1.0
477.22327	1.0
477.28564	11.2
478.29242	0.6
585.30829	0.9
603.31281	1.1
656.33063	1.4
657.34729	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	656.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05519	26.4
55.38630	2.6
55.47794	2.7
57.03428	3.2
61.02923	4.2
67.05505	21.9
69.03426	11.4
69.07082	29.3
71.04991	10.0
79.05500	16.2
81.03421	26.7
81.07063	52.2
82.07436	2.5
83.04998	18.3
83.08612	10.1
85.02898	5.8
85.06557	3.7
91.05489	14.5
93.07058	24.4
95.04967	5.5
95.08614	29.4
97.02895	6.0
97.06543	7.0
97.10170	33.3
99.04456	5.8
105.07045	40.1
107.04990	3.3
107.08604	30.2
109.02872	18.8
109.06538	20.2
109.10168	23.9
111.11716	5.5
117.06979	3.7
119.08586	22.8
120.08912	3.2
121.10151	22.9
123.04446	2.8
123.08080	11.9
123.11714	31.9
125.09613	4.5
127.03915	8.1
127.07589	4.4
131.08553	8.6
133.10146	16.0
135.08092	4.2
135.11688	8.4
137.09616	7.7
137.13231	3.2
139.11172	25.3
143.08578	2.9
143.10690	4.9
145.10152	14.6
147.07974	2.9
147.11703	100.0
149.09627	14.6
149.13254	8.0
151.11185	11.6
157.10155	5.8
157.12256	7.9
159.11707	7.3
161.13295	9.6
163.11153	9.8
165.09174	5.6
165.12781	73.4
165.14195	3.5
167.10701	4.4
169.10078	3.2
173.09529	3.9
173.13255	3.1
175.11157	12.7
176.90715	2.5
177.12746	5.4
179.14333	5.4
181.12257	3.9
185.04245	3.5
191.10651	4.5
191.82602	2.3
193.12245	54.3
201.03775	2.7
201.12704	2.6
203.12659	3.4
207.13828	4.9
211.13271	5.9
212.17278	2.8
227.12878	3.2
229.14333	48.7
251.16454	3.4
285.22177	6.5
301.08929	6.5
303.23242	14.1
313.21664	18.4
321.24454	12.1
331.22687	71.6
332.23187	2.7
335.09457	5.9
349.23758	63.9
350.24033	2.8
367.24789	52.8
368.25027	3.5
373.11053	3.7
385.18262	5.9
395.24408	6.3
413.17670	6.8
429.25845	3.4
439.26138	3.1
447.27563	3.2
457.25806	5.6
459.27551	3.6
462.28928	3.3
475.27185	12.3
477.27921	4.6
485.19861	4.5
493.28003	76.2
494.28613	5.5
511.29346	13.2
656.33551	42.4
657.31287	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	657.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.86235	0.6
55.01874	1.4
55.05511	2.8
57.03437	2.6
61.02935	5.2
67.05504	12.2
69.03442	4.0
69.07077	1.6
71.04987	4.3
71.78906	0.6
79.05486	5.0
81.03423	3.4
81.07061	10.5
83.04974	2.0
83.08622	3.0
85.02908	6.2
85.06547	0.7
87.04501	0.7
91.03979	3.2
91.05489	4.3
93.07038	3.6
95.04990	2.2
95.08584	3.2
97.02906	4.3
97.06544	1.8
97.10192	1.0
99.04480	1.1
101.02389	1.7
105.06453	0.7
105.06979	3.1
107.04976	0.9
107.08592	4.0
109.02866	1.0
109.10164	7.9
111.08049	0.9
117.07018	1.9
119.08597	2.2
121.10155	1.8
123.11717	1.8
125.09660	1.7
127.03931	1.9
129.05542	0.9
131.08603	2.1
133.10124	3.3
135.11765	0.7
137.09613	0.9
142.07588	0.7
143.08531	0.6
145.10098	0.9
147.11705	0.8
148.10243	0.7
149.13216	1.0
151.11176	1.2
155.08603	0.8
157.10062	0.8
159.11697	1.2
173.11774	2.0
185.04277	0.6
195.10019	0.7
195.13898	1.1
229.14331	1.2
243.08437	2.3
267.15839	2.4
269.17627	1.5
301.16531	1.1
323.18433	0.9
372.60861	0.8
413.17770	7.7
441.26419	0.8
442.26767	1.3
459.27560	2.2
460.27823	3.9
463.30115	1.2
477.28326	1.0
478.28888	1.7
485.23630	8.7
585.29425	0.9
639.33685	0.8
657.34552	100.0
658.34894	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	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16051	1.0
52.52771	1.2
53.03941	2.8
53.75020	1.1
55.01867	1.5
55.05515	11.5
57.07063	3.2
58.63296	1.0
67.05511	12.6
69.03427	4.3
69.07072	18.4
70.10466	3.3
71.04987	3.7
79.05494	9.8
81.03423	14.5
81.07058	50.4
83.04966	4.5
83.08627	6.9
85.02901	2.1
85.06548	2.6
91.04986	1.1
91.05457	6.5
93.07049	27.2
95.04961	5.0
95.08608	30.5
97.02876	2.5
97.06535	4.4
97.10178	9.3
99.04458	7.6
99.08128	1.5
101.06013	2.2
101.64548	1.1
105.07034	19.0
106.51260	1.3
107.07919	2.1
107.08598	26.0
109.02876	13.9
109.06528	9.5
109.10147	21.4
111.04446	3.0
111.08080	3.2
111.11717	2.4
117.07016	1.3
119.08571	15.0
121.06482	2.2
121.10143	21.4
123.08051	6.8
123.11716	24.5
125.09618	4.7
127.03912	7.7
127.07553	6.6
129.07030	1.7
131.08554	5.0
133.10124	18.2
135.08080	3.0
135.11687	23.5
137.09595	3.4
137.13229	2.3
139.07533	2.0
139.11143	7.6
141.47119	1.1
143.08554	2.3
145.10130	8.8
147.07988	1.3
147.10576	1.8
147.11687	29.9
148.12038	1.3
149.09598	4.8
149.13254	12.4
151.11179	33.5
151.14810	2.3
152.11450	1.1
153.04929	1.4
153.09134	1.9
153.12779	7.2
157.10118	4.3
159.11690	10.4
161.09535	2.6
161.13284	6.1
162.22371	1.2
163.11137	5.3
163.14838	2.9
165.09151	3.4
165.12785	9.1
168.91519	1.0
169.10086	1.8
169.12221	1.6
171.11752	4.4
171.13806	1.5
173.13300	4.6
175.11208	8.8
175.14828	3.0
177.12775	5.5
177.16368	1.8
179.10654	6.2
179.14154	1.4
181.12259	6.5
185.13275	3.4
187.13266	3.4
187.14830	2.5
189.12758	4.7
189.16327	2.8
191.14336	2.5
191.17992	3.5
193.12224	13.8
195.13817	4.8
197.13307	1.6
199.13199	1.5
199.14899	3.4
201.16396	5.3
203.14468	1.3
207.13776	6.8
207.17435	1.4
211.13303	1.4
213.16301	2.4
215.14383	1.6
217.15808	3.4
219.17407	1.4
229.14319	3.5
235.16936	3.9
243.15993	1.2
253.18063	1.3
269.22598	3.4
279.21069	1.9
285.12231	1.9
287.10300	1.9
287.23700	6.6
295.15427	1.1
297.22116	5.9
305.11234	1.4
305.21506	1.7
305.24756	24.8
313.16315	3.1
315.23193	24.1
316.23474	1.9
323.25797	55.7
324.26102	1.8
331.17587	1.5
331.22656	1.8
333.24228	100.0
334.24561	4.6
351.25290	43.0
352.25269	1.7
369.26480	7.6
411.27264	2.4
413.26984	2.9
423.25397	3.6
441.26492	6.3
459.27371	7.6
477.28473	17.2
478.28760	1.4
495.29544	25.8
496.30075	1.7
513.30499	20.0
531.31500	4.6
540.14923	1.1
658.29022	19.7
659.31586	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	658.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
55.05503	9.2
57.03449	4.5
61.02929	6.0
66.68593	2.5
67.05511	30.7
69.03424	4.9
69.07063	9.9
73.02927	3.5
79.05508	20.0
81.03416	10.2
81.07066	31.2
83.04967	4.2
83.08619	10.2
85.02908	8.1
91.03957	3.1
91.05479	27.1
93.07058	23.0
95.04984	3.5
95.08602	12.3
97.02878	4.2
97.06537	4.0
97.10235	3.1
105.07050	17.6
105.07671	2.8
107.05003	3.2
107.08608	9.3
109.06470	3.6
109.10152	13.2
111.08064	6.2
117.07027	17.5
117.90200	2.9
119.08562	12.8
121.10149	5.8
125.37655	2.8
128.06245	3.8
129.06969	16.3
131.08559	20.1
133.10110	9.0
135.11714	4.7
141.06999	4.9
142.07796	2.7
143.08574	12.5
145.06517	3.7
145.10135	11.5
147.11713	4.6
155.08531	9.9
157.10132	7.8
159.11694	4.3
161.09561	3.4
163.11201	4.4
167.08507	4.5
169.10156	6.5
171.11615	6.6
173.13400	3.3
181.10089	3.2
183.11684	4.2
185.13293	3.8
187.11137	3.6
195.11809	6.4
197.13208	3.3
199.14874	3.5
207.11664	4.0
209.13327	3.7
211.14922	4.0
213.12601	2.9
221.13290	5.7
223.14732	4.7
239.14311	3.4
267.46463	2.9
333.21835	4.0
351.23203	11.0
369.24234	13.0
387.25293	7.5
425.26678	6.4
443.27939	100.0
444.27917	4.9
461.28989	83.5
462.29150	5.1
566.45221	3.0
580.06885	3.3
586.19519	3.0
623.34442	4.9
626.97675	3.0
658.35266	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01878	2.0
55.05514	7.2
57.03440	12.3
57.07068	3.1
61.02924	2.4
63.88089	0.9
65.03942	1.6
67.05505	30.6
69.03416	1.3
69.07070	11.3
69.93123	3.0
70.06582	4.3
71.04993	2.9
71.08630	1.5
73.02932	1.0
79.05491	22.7
81.03415	47.3
81.07056	40.1
83.04983	5.6
83.08621	15.4
85.02906	2.9
85.06541	2.3
88.07619	4.7
91.03928	1.6
91.05475	19.5
93.07046	34.5
95.04962	18.4
95.08603	10.1
97.02935	1.9
97.06539	7.2
97.10178	1.1
99.08079	2.0
102.09170	4.2
105.04532	1.3
105.07021	11.8
107.04949	4.8
107.08591	17.0
109.06544	3.2
109.10164	1.4
111.08076	7.3
115.05419	0.9
117.07017	5.4
119.08577	7.2
121.06516	2.4
121.10139	12.4
123.08080	2.1
123.11743	1.2
129.06999	4.8
131.08557	10.5
133.06488	1.4
133.10114	6.4
135.08041	2.1
135.11713	5.5
137.09610	1.0
139.11232	1.0
142.07761	1.3
147.08093	2.2
147.11670	5.8
149.02353	9.3
149.09628	3.0
149.13252	13.8
157.10129	6.9
159.11691	7.4
163.11185	1.5
165.12746	1.3
171.11797	0.9
175.11215	5.2
177.12758	3.9
185.13405	0.9
193.04951	10.4
193.12259	12.5
195.13794	4.7
223.25089	0.8
237.07556	2.6
249.14825	1.9
256.26349	11.8
267.15900	57.5
268.16431	1.2
269.17465	60.8
270.17746	1.1
278.89011	0.9
313.17654	1.0
326.22852	1.0
341.06732	2.5
349.23911	1.2
359.07660	2.6
369.24289	0.9
385.09262	6.7
405.10443	0.9
429.11826	5.3
435.27582	4.5
447.27206	1.4
461.28970	100.0
462.29480	4.7
462.93857	0.9
479.30206	1.5
482.37289	1.0
503.30093	3.0
561.37268	2.3
658.35687	24.9
659.35840	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	658.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20330	0.7
53.03952	1.7
55.01876	1.3
55.05262	1.0
55.05514	13.0
56.37502	0.7
57.03437	13.4
57.07066	2.5
57.57425	0.7
58.42718	0.8
59.04996	3.7
61.02925	6.5
63.29025	0.8
65.03933	2.3
67.05506	94.2
68.05849	1.1
69.03416	1.0
69.07061	5.7
71.04994	5.4
71.08604	0.7
72.87498	0.9
73.02908	0.9
77.23228	0.8
79.05495	34.8
81.03427	1.3
81.07057	38.0
83.04975	1.1
83.08624	8.3
85.02900	5.8
85.06549	3.7
91.03964	3.5
91.05481	18.8
93.06449	1.8
93.07045	37.3
94.07368	0.9
95.03898	0.8
95.04969	4.3
95.08608	23.6
97.02903	3.0
97.06529	2.2
97.10169	2.2
98.23547	1.2
99.08097	3.3
105.04477	1.0
105.07031	8.8
107.08595	15.5
109.06548	1.7
109.10159	74.6
110.10493	1.3
111.08087	3.2
111.19074	0.7
113.09603	1.3
117.07037	4.3
119.08588	11.7
121.09280	1.3
121.10149	22.6
123.11684	4.5
125.09653	2.3
131.08572	7.9
133.10147	8.0
135.11694	15.4
137.09546	4.2
137.13171	1.2
143.08562	0.9
145.10135	6.4
147.11707	5.4
149.09659	1.1
149.13274	7.8
151.11229	1.7
155.10660	6.7
157.10139	0.8
159.11758	4.7
161.13217	2.4
173.11746	19.6
173.13274	5.2
175.14928	0.9
187.14801	2.0
205.19576	2.3
215.17958	21.2
217.19733	1.0
227.12822	3.9
229.14349	100.0
230.14694	2.4
233.19006	23.4
234.19453	1.0
270.60956	0.9
289.21439	1.2
293.21088	0.9
307.22687	82.3
308.22986	4.1
351.26813	0.8
369.27853	2.2
443.31375	0.9
461.32620	71.0
462.33142	3.9
479.33685	4.1
658.41437	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	658.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01859	1.2
55.05515	5.2
57.03207	0.9
57.03448	6.8
57.07079	1.8
61.02927	2.7
63.37635	0.5
64.08457	0.5
65.03951	0.9
67.05515	18.5
69.07076	4.7
71.05014	0.6
71.08641	1.2
79.05503	18.4
81.07065	100.0
82.07399	1.5
83.04995	0.9
83.08632	2.1
85.02911	2.0
85.06567	0.6
89.06037	1.8
91.05483	7.9
93.07050	12.7
93.07601	0.9
95.04987	2.1
95.08619	13.4
97.02920	1.7
97.06528	1.5
97.10171	1.0
98.22646	1.5
99.08116	5.3
105.07030	5.4
107.08601	8.3
109.06526	2.1
109.10178	6.4
117.07019	2.1
119.08603	3.3
121.10162	6.4
122.42921	0.6
123.11721	1.9
124.81120	0.6
127.07578	7.2
131.08566	3.4
133.08632	1.0
133.10138	3.1
135.11696	4.8
137.13264	0.7
143.07065	0.8
145.08656	5.1
145.10133	2.5
147.11720	2.2
149.13266	3.1
159.11716	1.8
161.13290	1.4
163.14870	2.0
173.13295	1.7
187.14861	0.8
194.39063	0.5
199.09676	3.0
201.11230	46.9
202.11600	0.7
243.21065	4.5
261.22186	8.8
262.22443	1.0
275.20264	0.8
317.24808	1.7
335.25812	33.7
336.26254	1.0
349.23682	0.9
369.28195	1.6
393.59085	0.7
440.51550	0.7
443.31674	0.7
461.32648	13.9
462.32962	1.1
479.33398	2.8
539.23340	0.8
621.45477	0.7
658.40454	1.6
659.27069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.05470	0.7
65.03928	0.6
67.05462	2.6
69.07038	0.6
69.21156	0.6
69.52579	0.6
69.52911	2.4
79.05487	0.9
80.34119	0.6
81.03384	1.7
81.07005	1.7
83.95308	0.5
85.06499	1.1
86.09703	0.6
89.03877	1.0
91.05439	1.5
91.19757	0.7
93.06989	2.2
94.06589	2.9
95.04942	1.5
95.07297	1.8
95.08562	1.5
96.08133	4.1
97.02857	1.3
97.06480	0.9
97.10130	0.6
105.06973	0.9
106.06506	0.5
107.08561	0.8
108.04413	1.2
108.08099	3.7
109.10121	2.1
110.09670	5.0
116.04985	3.7
120.08090	4.9
121.10076	1.0
122.06010	4.8
123.11660	0.6
124.07594	4.9
127.03837	0.8
129.06940	0.6
131.08569	0.9
134.05989	1.3
135.06705	0.7
136.06715	0.7
136.07571	7.3
137.09572	1.1
138.09140	7.7
144.03508	0.7
144.04451	8.0
145.09932	0.7
146.06027	1.5
148.07559	1.5
150.05446	1.2
152.07004	1.0
158.06026	0.8
160.03935	2.0
161.07184	0.7
162.05482	3.9
162.26750	0.7
165.09122	5.6
166.08627	11.2
170.09599	3.0
172.03940	32.7
172.11195	1.5
173.04581	0.8
174.05434	1.0
174.09132	0.7
175.08630	1.4
183.06848	1.1
184.07405	1.3
184.11226	0.7
186.09081	1.0
187.12294	5.0
190.04993	6.7
197.08388	0.6
197.10741	0.6
198.09149	21.8
200.09404	2.4
200.10759	1.9
204.06564	40.7
205.06934	1.0
212.10747	4.2
213.10306	1.3
215.11801	21.4
218.12648	0.6
223.12114	0.7
225.10094	1.3
226.08662	7.2
227.08150	1.7
227.11763	1.7
228.08965	1.1
229.09738	0.8
229.13509	1.0
230.10600	0.7
231.11235	1.0
237.10324	0.9
240.10474	2.7
241.09682	3.3
241.13306	1.4
242.10565	1.9
243.11285	100.0
244.11690	3.2
253.09726	0.7
255.11322	5.8
257.12872	5.7
265.09464	0.8
267.11288	1.0
273.12418	0.7
279.11176	0.7
283.11096	0.7
284.11581	1.3
285.12338	86.2
286.12674	2.3
297.12369	1.0
298.13260	0.8
301.11826	5.2
302.12558	1.2
303.13391	96.7
304.13626	3.4
313.11960	1.0
325.11786	8.1
343.13000	1.8
357.14444	5.1
358.15347	1.9
359.15891	0.6
371.12555	1.8
413.18430	1.1
418.17654	1.6
430.17700	1.3
443.19189	0.9
456.15714	1.0
462.16327	2.7
470.17288	1.9
474.16699	2.2
476.18454	3.6
494.19299	1.4
583.25739	2.3
599.24860	1.5
609.23480	0.8
615.29034	0.8
627.24573	4.2
641.25958	12.1
642.26373	1.1
659.32520	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.7
67.05521	2.2
69.07082	0.9
71.05000	0.4
79.05524	1.0
81.03445	1.7
81.07075	2.3
83.08638	0.8
85.02908	0.3
91.05508	1.1
93.07060	0.7
93.39833	0.4
95.08652	1.6
98.22712	1.1
98.23405	1.3
105.07066	0.7
107.08583	0.8
109.10193	1.2
111.08129	0.6
119.08665	0.9
121.10175	0.5
123.11736	0.5
133.10181	0.7
133.11772	0.4
135.73946	0.4
140.66579	0.4
147.11755	0.5
165.09195	0.5
184.07390	0.8
203.05229	2.2
219.19202	0.4
241.13358	0.6
275.07553	1.5
277.21771	0.5
334.15417	0.4
335.09525	42.2
336.09967	0.9
347.25815	0.6
347.87234	0.4
475.75433	0.4
527.31458	0.6
659.36340	100.0
660.36761	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	660.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30986	0.4
55.01865	0.8
57.03419	0.7
57.79984	0.4
66.38133	0.4
67.05492	0.5
69.07069	0.4
71.44965	0.5
79.05450	0.7
82.93453	0.4
85.02897	2.8
91.05472	0.9
92.40804	0.4
93.07076	0.5
95.04943	0.4
107.04923	0.5
107.94907	0.4
119.04933	0.7
121.02856	1.4
131.04948	0.8
133.02843	1.7
135.04443	0.6
137.02309	1.7
138.03133	1.3
145.02864	0.6
147.04387	1.4
148.01521	0.5
149.02342	2.4
150.03137	4.8
151.03938	0.5
153.01834	1.4
153.05435	1.2
157.06381	0.6
159.00768	1.2
159.04428	2.6
161.06004	0.9
162.03102	0.7
163.03893	1.4
165.05486	1.2
166.02591	1.2
171.04384	0.9
175.03911	1.8
175.07562	0.6
176.04730	0.7
177.01826	21.3
177.05428	1.6
178.02562	0.6
179.03424	3.0
181.04941	6.6
185.05930	0.8
187.03896	1.7
189.05447	1.6
190.02603	0.5
191.03369	4.7
193.04979	1.2
194.02101	7.1
195.02853	1.9
197.04471	2.0
199.03879	3.8
201.05367	0.5
203.07045	1.4
204.04185	1.9
205.01324	17.9
205.04919	5.7
207.02843	0.9
209.04445	100.0
210.04788	1.9
211.02299	0.7
213.05479	2.9
215.03481	0.9
216.04134	0.5
217.04982	1.4
218.02188	0.5
219.02931	0.6
219.06502	2.7
221.04445	2.1
223.02229	3.8
223.04164	0.4
223.05872	0.6
225.03584	0.5
227.03328	3.5
229.04944	0.8
231.02867	0.8
231.06517	1.5
232.03595	0.6
233.04431	5.3
241.04953	5.4
245.04446	28.7
247.05994	3.2
251.03297	0.8
251.05504	8.8
255.03033	0.7
257.04434	0.7
258.05035	0.5
259.06009	3.2
260.03125	1.5
263.05481	3.3
265.03445	2.3
265.07129	0.6
269.04477	5.7
270.05252	0.9
273.03931	42.9
274.04318	1.2
275.05508	5.4
281.06339	1.0
287.05478	17.0
288.06213	0.5
293.06601	6.7
297.03943	5.8
311.07581	3.4
315.04974	82.1
316.05310	1.9
320.78421	0.5
325.05585	1.3
329.08569	2.8
515.08527	0.5
533.09253	2.3
636.75262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30986	0.4
55.01865	0.8
57.03419	0.7
57.79984	0.4
66.38133	0.4
67.05492	0.5
69.07069	0.4
71.44965	0.5
79.05450	0.7
82.93453	0.4
85.02897	2.8
91.05472	0.9
92.40804	0.4
93.07076	0.5
95.04943	0.4
107.04923	0.5
107.94907	0.4
119.04933	0.7
121.02856	1.4
131.04948	0.8
133.02843	1.7
135.04443	0.6
137.02309	1.7
138.03133	1.3
145.02864	0.6
147.04387	1.4
148.01521	0.5
149.02342	2.4
150.03137	4.8
151.03938	0.5
153.01834	1.4
153.05435	1.2
157.06381	0.6
159.00768	1.2
159.04428	2.6
161.06004	0.9
162.03102	0.7
163.03893	1.4
165.05486	1.2
166.02591	1.2
171.04384	0.9
175.03911	1.8
175.07562	0.6
176.04730	0.7
177.01826	21.3
177.05428	1.6
178.02562	0.6
179.03424	3.0
181.04941	6.6
185.05930	0.8
187.03896	1.7
189.05447	1.6
190.02603	0.5
191.03369	4.7
193.04979	1.2
194.02101	7.1
195.02853	1.9
197.04471	2.0
199.03879	3.8
201.05367	0.5
203.07045	1.4
204.04185	1.9
205.01324	17.9
205.04919	5.7
207.02843	0.9
209.04445	100.0
210.04788	1.9
211.02299	0.7
213.05479	2.9
215.03481	0.9
216.04134	0.5
217.04982	1.4
218.02188	0.5
219.02931	0.6
219.06502	2.7
221.04445	2.1
223.02229	3.8
223.04164	0.4
223.05872	0.6
225.03584	0.5
227.03328	3.5
229.04944	0.8
231.02867	0.8
231.06517	1.5
232.03595	0.6
233.04431	5.3
241.04953	5.4
245.04446	28.7
247.05994	3.2
251.03297	0.8
251.05504	8.8
255.03033	0.7
257.04434	0.7
258.05035	0.5
259.06009	3.2
260.03125	1.5
263.05481	3.3
265.03445	2.3
265.07129	0.6
269.04477	5.7
270.05252	0.9
273.03931	42.9
274.04318	1.2
275.05508	5.4
281.06339	1.0
287.05478	17.0
288.06213	0.5
293.06601	6.7
297.03943	5.8
311.07581	3.4
315.04974	82.1
316.05310	1.9
320.78421	0.5
325.05585	1.3
329.08569	2.8
515.08527	0.5
533.09253	2.3
636.75262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05522	7.0
57.03445	5.6
57.07084	1.0
61.02932	3.1
65.03953	1.0
67.05159	1.6
67.05514	27.4
69.07077	8.5
69.17823	0.6
71.05007	2.9
74.16676	0.7
79.05505	16.8
81.03456	1.7
81.07067	38.5
83.04989	2.6
83.08628	8.6
85.02907	3.0
85.06557	2.4
91.03944	1.0
91.05495	10.7
93.07057	25.6
95.04987	2.6
95.08611	11.6
97.02920	0.9
97.06545	4.7
97.10136	0.7
98.23266	4.1
99.04487	0.9
99.08110	1.1
105.04525	0.8
105.07040	5.6
107.08608	14.3
109.06532	1.9
109.10162	3.0
111.08092	3.6
117.07034	5.8
119.08609	2.6
121.06503	1.5
121.10163	8.4
123.08069	0.9
123.11723	1.8
125.09621	0.7
129.07047	2.3
131.08575	7.5
133.10150	8.3
135.11739	4.2
143.08548	1.6
145.10185	1.9
147.08121	0.8
147.11673	1.0
149.09724	0.9
149.13280	12.0
151.11263	1.2
157.10156	1.5
159.11713	6.5
171.11703	1.3
177.12808	2.7
187.60065	0.8
195.11964	1.3
195.13858	6.1
207.62595	0.8
213.14745	0.8
251.16521	1.5
269.14630	1.4
269.17517	28.0
270.17838	1.2
343.26312	1.0
353.24835	2.5
371.25781	1.2
389.26855	1.5
417.29916	1.2
427.28476	1.0
445.29532	14.3
447.48050	0.8
463.30576	100.0
464.31201	4.3
481.31296	0.8
607.34589	2.9
661.15509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73064	0.4
53.03936	0.7
55.01891	0.7
55.05261	0.6
55.05515	5.9
57.01930	0.5
57.03447	7.2
57.07077	1.5
61.02930	1.7
65.03950	0.9
67.05511	34.3
68.05862	0.5
69.03428	0.5
69.07076	13.0
69.88271	1.6
69.88614	0.5
71.01361	0.8
71.05000	3.4
73.02905	0.8
77.03925	0.6
79.05502	19.5
80.05825	0.9
81.03412	0.9
81.07063	46.8
82.07397	0.8
83.04989	4.3
83.05837	0.5
83.08629	8.7
85.02932	1.7
85.06540	2.3
91.05486	10.2
91.06051	0.6
93.07052	37.2
94.07420	0.6
95.04980	3.2
95.08613	11.5
97.02885	0.7
97.06541	7.0
97.10179	1.2
98.22820	0.8
98.23378	1.0
99.08102	2.1
101.62673	0.6
105.07040	2.9
107.08604	19.1
108.08863	0.6
109.06537	1.7
109.10169	1.8
111.08080	3.8
113.09673	0.9
117.07034	6.0
119.08599	1.1
119.55418	0.5
121.06517	1.6
121.10155	11.6
123.08052	0.6
123.11716	1.2
125.09626	0.5
131.08574	4.9
132.08939	0.7
133.10150	4.1
135.08083	1.6
135.11703	5.2
139.11215	1.2
147.11710	1.5
149.13269	20.9
152.30315	0.5
159.11696	8.5
159.12938	0.7
177.12761	4.6
195.13815	6.9
202.09990	0.5
202.61765	0.6
213.14888	0.8
251.16496	0.5
269.17490	53.3
270.17896	2.3
305.58829	0.5
445.29776	0.5
460.78772	0.6
463.30569	100.0
464.30838	5.8
493.57001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01865	0.8
55.05254	0.5
55.05509	6.2
56.77853	0.2
57.03180	0.4
57.03438	5.3
57.07067	1.0
59.82629	0.2
61.02927	1.9
65.03939	1.0
67.05502	29.6
68.05826	0.3
69.03417	0.6
69.07066	10.0
69.69018	1.0
71.01340	0.3
71.04993	2.2
71.08616	0.5
73.02900	1.0
77.03922	0.6
77.18706	0.3
79.05490	18.0
81.03419	1.6
81.07052	39.4
82.07379	0.7
83.04977	3.2
83.08617	8.5
83.09100	0.6
85.02879	1.5
85.06538	2.2
91.03944	1.0
91.05477	9.2
91.06065	0.5
93.07040	28.4
94.07375	0.7
95.04971	2.7
95.08599	9.9
97.02888	1.1
97.06525	6.0
97.10168	1.0
99.04447	0.3
99.08073	1.3
100.93465	0.3
105.04502	0.8
105.07027	4.0
107.04947	0.4
107.08585	16.7
109.06496	1.5
109.10137	2.0
111.08069	3.3
111.11714	0.3
113.06026	0.5
113.09661	0.5
115.05525	0.3
117.07008	4.9
119.08598	0.8
121.06510	1.4
121.10137	8.8
123.08050	0.5
123.11723	1.9
125.09641	0.3
127.07559	0.4
131.08562	4.6
133.10121	5.6
135.08044	1.1
135.11679	4.5
139.11191	1.0
147.11671	0.7
149.09685	0.5
149.13246	17.1
151.11183	0.7
157.10211	0.3
159.11681	7.1
159.12943	0.5
167.14308	0.6
177.12737	3.4
195.13792	7.5
195.15575	0.5
196.14148	0.3
213.14815	1.4
251.16417	0.7
265.17612	0.3
269.17453	46.3
270.17676	1.7
330.06332	0.3
412.61597	0.3
445.29440	0.8
463.30508	100.0
464.30872	6.0
607.34406	0.6
660.36322	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	660.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01873	0.8
55.05284	0.8
55.05518	5.8
57.03228	0.4
57.03445	5.1
57.07065	1.4
61.02937	2.5
61.54700	0.5
63.77431	0.4
65.03928	1.1
67.05514	26.8
67.85703	0.6
69.03455	0.6
69.07076	9.2
71.04996	2.2
73.02910	0.9
79.05502	15.6
81.03437	2.6
81.07066	39.1
82.07358	0.5
83.05005	2.7
83.08628	8.0
85.02905	2.4
85.06540	2.2
91.03978	1.4
91.05492	10.7
92.12785	0.5
93.07056	24.8
94.07407	0.5
95.05000	2.6
95.08610	8.6
97.02890	1.2
97.06546	4.7
98.22611	1.1
99.08112	1.1
105.04536	1.0
105.07048	3.7
107.08607	14.3
109.06548	1.0
109.10172	1.4
111.08076	2.8
117.07024	3.7
119.08615	0.9
121.06544	1.5
121.10153	5.9
123.11722	3.8
131.08565	4.7
133.10144	8.7
133.74025	0.4
135.08092	0.6
135.11714	5.9
147.11681	1.0
149.02316	0.6
149.13264	9.0
151.11223	1.2
159.11717	4.6
177.12796	2.9
195.13812	9.0
202.27937	0.5
213.14996	0.8
251.16391	2.6
269.17505	55.0
270.17914	1.7
445.29465	1.6
463.30594	100.0
464.31036	5.5
481.98398	0.6
607.34735	2.2
660.36401	1.1
670.48077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	8.4
69.03398	2.7
69.07071	2.3
71.45047	2.9
79.05460	5.9
81.03381	5.1
81.07035	6.0
91.05449	6.0
93.07016	7.7
95.04957	2.9
95.08597	4.4
105.06966	3.4
107.08592	3.5
119.08569	3.4
133.10091	3.0
135.11652	3.1
149.74783	2.0
191.14256	2.1
255.15822	6.3
267.11359	2.2
267.15775	2.8
343.93857	2.1
363.94186	2.5
416.14380	2.6
429.15228	7.5
430.15967	4.0
431.17007	14.6
442.12033	3.0
443.17206	3.6
444.18396	12.2
447.27048	5.0
454.15854	2.7
456.18005	3.3
457.14706	25.2
465.27808	4.5
469.18805	4.4
471.16174	9.5
472.17319	33.5
473.17374	6.4
500.17261	2.5
515.19379	3.7
531.21643	7.1
559.21924	66.3
560.21844	8.4
587.20776	5.7
618.23334	9.8
619.23975	99.5
620.24512	11.2
661.24237	100.0
662.24890	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.57344	0.3
67.05510	1.3
74.36252	0.3
79.05481	0.8
81.07069	1.3
84.64766	0.3
85.89158	0.4
89.11333	0.3
91.05486	0.7
93.07066	1.3
95.08623	0.6
98.22621	0.6
99.87691	0.3
105.07025	0.7
107.08608	0.7
128.32970	0.3
133.10106	0.4
135.11719	0.4
184.07486	0.4
185.04291	0.5
203.05309	0.4
233.72096	0.3
240.05850	0.3
243.08534	1.1
250.51045	0.3
269.17578	0.6
270.18134	0.4
273.58417	0.3
443.24017	3.0
463.30978	0.5
464.31149	1.3
465.28406	0.4
471.27444	0.5
499.26694	3.6
633.32306	1.6
661.31976	100.0
662.32306	8.3
680.34424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3198
Annotation	Coproporphyrinogen I
Peak:m/z	Relative Intensity
50.68278	0.4
50.74891	0.4
55.05520	0.4
57.03448	0.5
67.05516	1.5
69.07058	0.6
71.43504	0.3
79.05482	0.8
81.03425	1.3
81.07064	1.2
83.04995	0.5
85.06538	0.4
86.09693	0.7
91.05478	2.9
92.05836	0.7
93.07027	0.5
95.04964	0.7
95.08649	0.6
105.07047	1.3
107.08619	0.6
109.06496	0.4
109.10183	0.7
112.97968	0.3
117.07082	0.4
119.08585	1.0
131.08498	0.4
133.10133	1.8
134.10464	0.7
147.11699	0.5
153.34598	0.4
184.07434	1.3
186.77783	0.3
193.12320	0.8
194.12601	0.5
211.13284	0.8
253.14435	2.1
254.14778	1.1
267.15918	0.8
268.16299	0.8
274.97989	0.4
285.17053	0.9
286.17285	0.7
302.81186	0.3
345.24237	0.5
407.24112	3.3
446.26535	1.4
449.25165	0.6
463.27396	0.8
464.27332	1.5
551.28235	3.8
617.32825	0.8
661.31934	100.0
662.32227	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	661.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.6
68.43258	0.5
69.32996	2.0
79.05492	0.7
81.03429	0.6
81.07058	1.3
86.09714	1.1
91.05510	0.5
93.07059	0.8
98.23446	1.0
107.08610	0.6
111.32780	0.4
125.00056	1.3
165.66998	0.5
184.07362	4.1
255.16026	0.5
407.23999	8.0
463.26825	0.6
465.28720	0.7
468.06552	0.4
551.28168	2.7
661.31940	100.0
662.32245	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	662.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01899	1.0
61.02946	0.5
65.03947	5.1
65.04256	0.3
66.55743	0.3
67.05528	0.9
68.99802	0.6
69.03452	1.1
70.51129	0.8
81.03432	3.7
85.02905	3.6
93.03408	12.3
95.05000	0.4
97.02918	2.1
99.04489	0.5
107.01345	0.4
109.02888	2.4
111.04453	24.2
114.28451	0.3
127.03940	1.5
137.02356	100.0
138.02670	1.2
138.03705	0.3
139.03912	59.6
140.04259	0.8
145.04945	0.7
153.41039	0.3
155.03400	77.0
156.03725	1.5
160.03032	0.3
162.07675	0.5
167.03409	70.1
168.03734	1.4
180.08583	0.9
185.04443	0.5
268.79388	0.3
281.06580	0.8
299.07547	1.4
321.06259	1.6
379.28555	0.4
564.04828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
53.72049	0.3
55.01865	1.4
58.64535	0.3
61.02946	0.4
65.03939	4.6
67.01916	0.2
67.05526	0.6
68.99818	0.6
69.03422	1.9
69.45682	0.6
69.46082	0.5
73.02969	0.3
81.03422	2.6
85.02909	4.1
91.03987	0.3
93.03408	8.5
95.04983	0.5
97.02887	2.1
98.06089	0.2
99.04452	0.3
99.60415	0.3
107.01336	0.4
109.02885	2.0
109.20329	0.2
111.04448	24.8
116.35246	0.2
116.60058	0.3
118.56361	0.2
121.02862	0.3
127.03931	2.5
137.02350	100.0
138.02698	1.6
139.03903	48.9
140.04231	0.7
144.06590	0.2
145.04968	1.4
151.39432	0.3
155.03395	71.8
156.03731	1.1
162.07651	0.3
163.03947	0.3
167.03403	68.6
168.03717	1.4
172.85500	0.3
173.04489	0.3
180.08688	0.7
185.04393	0.5
281.06549	1.0
293.06354	0.3
299.04529	0.3
299.07602	3.0
301.65125	0.3
303.04977	0.3
321.06064	1.5
396.46188	0.2
453.00885	2.1
465.10059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05503	5.7
57.03438	6.7
61.02916	2.1
67.05503	34.3
67.46754	1.4
69.07063	8.3
71.04998	2.2
79.05502	15.2
81.03423	3.1
81.07059	38.1
83.04959	5.2
83.08612	5.4
85.06557	3.1
91.05482	21.9
93.07047	23.1
95.05001	3.0
95.08622	7.4
97.06511	5.5
97.60808	1.5
97.96627	1.3
105.07027	14.9
107.08595	24.5
109.06538	2.7
109.10156	34.0
111.08067	4.9
115.82893	1.4
117.06971	2.1
119.08568	1.9
121.10147	7.9
123.11712	5.5
127.07613	1.3
131.08585	4.7
133.10129	43.7
135.11691	4.2
143.08658	1.5
149.13240	9.1
151.11194	18.3
151.60181	1.4
153.57866	1.3
159.11685	3.5
169.12209	4.2
177.12773	1.8
179.10576	1.7
195.13766	4.1
222.89539	1.4
253.14346	82.6
254.14670	2.3
265.08496	1.3
267.16037	1.4
269.17484	27.1
270.17734	3.0
271.15439	15.9
277.85077	1.5
334.53522	1.3
464.31116	3.1
465.28430	100.0
466.28827	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	662.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01849	2.2
55.05507	14.2
57.03437	17.2
57.07054	1.1
59.04953	0.7
61.02899	2.4
65.03922	1.7
67.05505	38.6
68.05846	0.8
68.66526	0.5
69.03429	3.1
69.07063	10.1
71.01347	3.2
71.05001	4.6
73.02899	1.3
77.03888	0.6
79.05492	37.6
79.40366	0.5
80.05808	0.7
81.03418	40.1
81.07056	26.9
83.04981	13.5
83.08620	15.8
85.02908	14.7
85.06557	3.1
86.09676	1.4
86.69003	0.5
91.03938	1.7
91.05478	25.1
93.07044	37.5
94.07379	0.5
95.04971	18.8
95.08124	0.6
95.08606	7.2
95.28260	0.6
97.02882	3.1
97.05962	0.7
97.06531	9.2
97.09602	0.6
97.10168	10.0
98.22678	0.9
99.04457	1.4
99.08066	2.0
99.65748	0.5
100.01785	0.5
100.19283	0.5
105.04511	1.2
105.06358	1.0
105.07028	16.7
107.04955	4.9
107.08592	26.5
108.08926	0.7
109.06521	2.8
109.10146	4.5
111.04414	1.1
111.08086	6.7
111.11708	0.5
113.05991	1.0
115.05444	1.5
117.07023	3.5
119.08585	13.3
121.06454	2.4
121.10139	9.7
123.08044	1.4
123.11675	1.6
124.99988	0.8
125.09680	2.7
127.07558	0.7
129.06990	6.2
130.07762	0.5
131.08562	6.3
133.06479	1.3
133.09190	0.7
133.10127	10.0
135.11690	42.4
136.11983	1.0
137.09581	2.2
137.13255	0.6
142.07738	1.8
145.10130	8.0
147.08052	2.6
147.11685	9.8
149.09604	3.7
151.11169	0.8
153.12714	1.4
157.10129	8.8
163.11176	6.0
165.12704	2.3
175.11166	9.9
181.12227	8.9
184.07332	4.0
193.12244	25.4
194.12500	1.0
199.13283	1.1
201.50529	0.6
211.13284	34.7
212.13539	0.9
228.86258	0.7
249.14677	0.7
255.15906	100.0
256.16235	3.6
267.15891	19.7
268.16138	0.7
285.16965	25.5
286.17273	1.0
350.24121	0.6
403.24811	0.5
412.99826	0.6
421.25827	2.0
429.26096	0.6
430.15436	0.8
431.17090	1.3
432.17349	1.4
445.18076	0.7
447.27432	39.3
448.27664	3.2
457.15051	1.5
458.15402	3.3
465.28491	91.2
466.28830	7.1
472.16895	1.0
473.17688	2.0
476.19534	0.6
506.20740	0.6
542.05719	0.6
558.37109	0.6
559.20996	0.6
619.23462	2.9
620.24084	2.7
621.24670	0.6
662.24615	9.0
663.24829	1.5
663.34332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66068	0.2
55.08788	0.2
57.35461	0.2
58.64336	0.3
63.36484	0.3
67.05497	0.4
69.66642	0.7
69.67038	0.5
79.05515	0.3
81.03404	0.3
81.07065	0.3
85.02926	0.3
88.22987	0.3
90.75647	0.2
91.05495	0.3
98.15783	0.3
137.06134	0.2
184.07330	0.4
185.07652	0.4
318.78766	0.3
409.25519	2.0
535.28931	0.3
537.30353	0.3
553.29901	2.8
573.06720	0.3
603.92987	0.3
619.35071	0.3
663.33521	100.0
664.33856	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	663.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45344	0.6
53.03950	0.5
55.01871	0.5
55.05503	1.2
57.03437	2.2
61.02929	4.7
65.03954	0.6
67.05505	3.8
69.03439	2.7
69.07058	1.0
73.02916	3.6
79.05492	2.4
81.03412	8.0
81.07072	4.6
83.04982	1.1
83.08631	1.7
85.02902	4.1
91.03951	3.0
91.05459	2.9
93.07037	3.7
95.04974	2.9
95.08598	1.4
97.02897	3.9
97.06542	1.1
99.04449	1.4
101.02392	2.2
105.07048	2.1
106.06199	0.5
107.04960	0.6
107.08598	2.1
107.17057	0.4
109.02909	0.8
109.06528	0.8
109.10121	0.7
111.08089	1.2
114.25553	0.5
117.07040	0.7
119.08600	1.7
121.10152	1.5
123.08037	0.6
127.03944	1.3
129.06975	0.9
131.08568	1.1
133.10138	0.6
139.11131	0.6
145.10245	0.5
147.08073	0.7
147.11661	0.9
149.13272	1.1
157.10124	1.2
159.11751	0.8
171.11682	0.5
175.11179	1.1
185.04308	0.5
193.12260	2.0
201.38821	0.5
235.13049	1.5
242.82239	0.6
243.08464	1.7
267.15955	1.9
269.17468	0.7
451.19495	7.7
453.20999	7.1
663.33801	100.0
664.34528	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	663.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05497	0.5
57.03432	0.7
57.26073	0.3
61.02929	0.4
67.05499	1.7
68.30441	0.3
69.07079	0.7
69.42437	0.3
71.05004	0.5
79.05502	1.3
81.03425	1.1
81.07059	1.7
83.04987	0.4
83.08630	0.5
85.02898	0.8
85.58036	0.3
91.05478	1.4
93.07066	1.8
95.04974	0.4
95.08647	0.7
97.02853	0.5
97.10191	0.3
98.22613	0.6
105.07060	0.6
107.04984	0.3
107.08604	0.7
109.10155	0.5
117.07084	0.4
119.08608	0.5
121.10191	0.6
129.05542	0.5
131.08609	0.3
133.10118	0.7
135.08069	0.6
135.11674	0.7
142.76003	0.3
149.02321	0.7
149.09647	0.4
184.07407	0.6
185.04196	0.4
193.04929	0.4
193.12279	0.5
203.05324	0.4
243.08444	0.7
255.15909	0.6
269.17557	0.9
310.00256	0.3
403.10345	0.4
413.18027	1.0
427.24570	0.4
445.25592	2.0
448.27710	0.6
465.28821	0.4
466.28900	1.3
491.22711	0.4
501.28137	2.2
515.30090	0.8
561.22797	0.3
613.27820	0.6
621.24036	0.5
635.33942	0.8
663.33447	100.0
664.23639	0.4
664.33917	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	663.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66003	0.4
55.01868	0.6
55.05515	1.6
57.03437	1.8
59.04991	0.7
60.02034	0.4
61.02926	4.8
63.78191	0.4
67.05509	7.4
69.03429	3.4
69.07092	0.5
69.90677	0.4
71.01379	0.5
71.04990	0.7
73.02927	3.7
79.05487	4.4
81.03430	2.0
81.07063	4.0
83.04994	0.7
83.08622	0.8
85.02909	5.9
91.03958	4.0
91.05489	2.3
93.07059	4.6
95.04959	0.9
95.08598	2.7
97.02904	4.5
97.10175	0.7
98.22710	1.1
99.04485	0.9
101.02394	1.8
105.07066	1.3
107.08602	2.3
109.02893	0.7
109.10161	5.5
115.03949	0.6
117.07056	0.8
119.08584	1.6
121.10165	1.7
121.25337	0.5
127.03930	1.5
131.08574	0.7
135.11694	0.9
145.10153	1.0
147.11710	0.4
155.10696	0.9
159.11717	0.5
173.11752	1.2
195.09958	0.9
229.14313	0.5
237.03496	0.5
242.86502	0.5
243.08437	2.1
251.02719	0.5
307.22775	1.1
413.17822	3.8
491.26144	7.4
492.26718	0.6
565.35541	0.4
636.98370	0.5
663.37146	100.0
664.37585	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	664.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	0.3
55.01884	0.4
55.05537	1.1
65.03947	3.0
65.04257	0.2
68.02665	0.3
69.03449	0.3
69.91299	0.7
69.91615	0.2
71.01375	0.7
79.01850	1.9
81.03427	1.2
81.07098	0.3
83.05006	1.0
93.03391	0.5
96.02142	0.8
97.02906	0.4
100.11272	0.5
107.01346	0.8
109.02911	0.3
109.06563	0.4
109.10211	0.4
111.04455	1.1
124.01611	0.3
125.02354	1.9
131.07014	0.3
139.03929	0.3
143.03433	1.6
152.01082	0.7
153.01826	36.7
153.02858	1.5
154.02180	0.3
157.03647	0.4
157.04964	11.8
167.03391	100.0
168.03723	1.2
177.01805	0.3
191.03412	0.7
194.02107	0.4
195.02878	0.6
209.04428	4.4
209.15436	0.3
219.06436	0.3
223.05817	0.3
233.04382	0.4
247.05956	0.3
251.05579	1.4
251.07903	0.3
255.04976	1.2
255.21092	0.3
260.03000	0.6
263.05344	0.4
269.06573	1.2
275.05606	1.5
293.06467	0.7
319.04294	1.4
403.06146	0.3
421.07385	0.3
463.08536	0.5
614.15771	0.3
647.10413	0.4
663.50116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99397	0.6
53.03940	2.7
55.01868	3.8
55.05507	10.1
57.03439	17.1
61.02927	5.1
65.03943	1.9
67.05503	39.1
68.05846	0.6
69.03432	6.2
69.07066	8.6
71.01360	0.7
71.04987	6.8
73.02917	2.1
75.23404	0.6
79.05491	26.0
81.03416	100.0
81.07056	22.6
82.03748	1.0
83.04474	0.7
83.04980	15.9
83.08620	18.8
83.73044	0.5
85.02906	34.6
85.06542	1.6
90.72858	0.6
91.03941	2.3
91.05480	88.5
92.05816	1.7
93.07046	35.3
94.07336	0.6
95.04968	25.7
95.08603	23.9
96.08972	0.7
97.02899	6.7
97.06528	4.0
97.10175	2.6
98.23412	1.6
99.04436	0.6
99.08090	1.5
103.05458	1.0
105.04530	1.5
105.07030	22.8
107.04947	7.0
107.08598	5.6
109.06528	5.4
109.10160	17.9
109.10890	1.2
111.04430	2.5
111.08088	9.8
113.06001	2.1
115.05454	1.5
117.07021	6.5
119.08578	91.1
120.08917	1.8
121.06506	7.3
121.10140	10.2
123.04423	0.7
123.08089	3.1
123.11708	1.9
125.06089	0.9
125.09636	1.5
129.06996	11.1
131.08571	10.8
133.06496	2.8
133.10130	10.2
134.36551	0.6
135.08049	2.3
137.05991	0.7
137.09613	36.4
138.10065	0.8
142.07797	1.6
143.06990	0.7
145.04941	0.7
145.10109	2.2
147.08049	10.5
147.11671	11.2
149.09621	4.8
151.11214	0.6
157.10130	12.7
158.73396	0.6
163.11218	1.0
165.09116	31.3
165.12767	2.8
166.09491	0.7
175.11176	13.0
183.10164	12.7
193.12242	34.8
194.12471	0.7
201.11247	1.1
211.13286	49.1
212.13652	1.3
227.10635	0.8
239.12778	25.0
240.13286	1.0
257.13831	54.8
258.14212	1.4
267.15918	19.9
273.14911	0.8
285.16962	47.4
286.17264	2.1
311.20035	0.7
329.21017	1.2
339.19513	3.2
357.20663	4.7
375.21469	1.3
405.22821	1.5
413.23096	2.0
431.24274	24.4
432.24506	1.8
449.25323	27.8
450.25467	1.8
467.26407	62.8
468.26862	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	664.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01881	9.7
55.05516	22.0
55.49545	0.9
57.03444	48.7
57.07073	2.6
59.04983	1.1
59.61748	0.9
61.02930	6.2
65.03937	1.4
67.05511	38.1
69.03437	6.2
69.07078	11.2
71.01363	7.6
71.04988	5.4
73.02921	3.8
77.03940	1.7
79.05502	53.2
80.33940	0.8
81.03425	22.9
81.07064	26.1
82.04204	2.9
82.07354	1.2
83.01372	0.9
83.04988	15.3
83.08134	0.9
83.08629	18.5
84.02116	1.0
84.05769	1.1
85.02917	8.2
85.06537	3.1
86.09714	3.0
91.03964	2.3
91.05493	23.6
93.07054	63.3
95.04983	14.5
95.08621	18.4
97.02905	6.3
97.06543	5.2
97.10188	9.3
98.07317	3.5
99.04456	1.4
99.08104	2.8
105.04514	1.4
105.07035	13.2
105.07719	1.0
107.04961	8.8
107.08609	16.2
109.02861	1.2
109.06508	3.1
109.10175	10.5
111.04440	2.1
111.08089	3.2
113.05982	1.2
116.04726	5.6
117.07021	3.3
119.08575	11.1
121.06534	2.4
121.10155	58.3
122.10484	1.1
123.08096	6.9
125.00027	2.9
125.09647	12.3
127.03871	1.6
127.11198	1.4
129.05492	15.7
129.07024	3.0
131.08575	12.5
133.10121	6.0
135.08043	3.0
135.11714	4.9
137.09584	4.5
139.11191	16.6
143.07031	4.4
143.10701	1.6
145.10138	4.5
147.08080	1.8
147.11687	2.4
149.09636	12.7
153.09071	1.3
153.12733	1.4
155.10695	1.8
157.08609	5.5
157.09999	1.7
158.05812	0.9
163.11168	6.8
165.09160	1.0
167.10703	19.2
167.12105	0.6
171.06580	1.7
171.10185	2.1
173.09648	1.3
173.11729	5.1
175.11279	1.8
181.12285	1.7
184.07367	9.6
185.07738	2.1
185.11729	3.4
186.07755	0.9
189.11214	3.7
191.10701	2.5
193.12277	5.2
197.08176	1.3
199.13310	9.2
209.11705	8.5
210.12520	1.4
211.07050	0.8
211.13245	2.4
227.12755	9.0
229.14363	1.8
239.12714	1.9
241.14368	100.0
242.14624	1.9
255.12299	2.9
255.15981	2.7
265.14328	1.7
267.15955	7.8
269.17517	3.6
273.13281	1.7
283.15448	11.5
285.16852	1.8
295.15445	1.5
301.16479	32.9
302.16824	1.4
365.23203	3.4
383.24231	9.9
385.18652	1.0
395.24350	21.7
421.26181	1.1
423.26706	1.2
433.25800	6.0
435.27161	1.2
449.25351	12.8
450.26230	7.0
451.26657	1.1
467.26428	71.5
468.26666	3.8
611.30322	1.4
664.37933	1.3
665.31152	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	664.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	1.2
55.05256	0.8
55.05511	10.0
57.03439	26.0
57.07069	1.2
59.04992	0.9
60.00699	0.5
61.02925	3.9
65.03941	1.5
67.05504	47.0
68.05854	0.6
69.03417	1.6
69.07071	7.3
71.01358	4.3
71.04991	16.1
72.80801	0.5
73.02920	1.5
73.65431	0.6
79.05492	33.8
81.03422	3.4
81.07056	56.3
82.07389	0.8
83.04987	5.3
83.08623	12.5
85.02895	3.3
85.06554	7.4
87.04443	0.7
91.03957	1.3
91.05480	15.1
93.07044	40.9
94.55222	0.5
95.04974	4.8
95.08606	24.1
97.02891	1.9
97.06526	4.7
97.10166	1.9
99.08105	1.2
105.04523	1.4
105.07028	7.2
107.04935	1.3
107.08598	13.4
109.06510	1.3
109.10155	9.4
111.08049	2.9
111.70374	0.5
113.06029	0.7
117.07015	1.9
119.08566	2.6
121.06514	0.9
121.10141	31.1
123.08063	2.1
123.11709	8.3
125.09638	1.9
127.03880	0.8
129.05545	0.7
129.07010	0.8
131.08549	5.3
133.10126	9.5
135.08028	0.7
135.11685	5.8
135.51833	0.6
137.09625	1.3
139.11189	6.7
145.10181	0.7
149.09595	3.9
149.13271	6.4
151.11139	3.9
155.10651	0.9
159.10257	1.1
159.11707	3.4
163.11208	0.8
167.10667	4.3
167.64590	0.6
169.12230	0.8
173.11784	1.3
174.30280	0.6
177.12701	1.4
181.12241	0.6
183.13803	1.6
187.13266	3.4
195.13814	2.6
199.13208	0.8
201.11162	0.8
210.28104	0.6
213.14807	0.9
229.14362	2.6
241.14340	16.8
255.15938	1.6
269.17453	5.3
273.17032	2.3
301.16940	0.7
301.20142	3.3
316.13644	0.5
324.45926	0.6
336.04376	0.5
370.79269	0.5
395.24203	2.4
409.25830	50.5
410.26266	1.9
423.27368	5.3
435.27411	100.0
436.27771	4.4
453.20782	2.1
467.30142	35.2
468.30298	2.0
485.27222	1.2
553.30060	0.6
611.34338	0.8
665.34949	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33181	0.4
53.03960	0.5
55.05524	1.4
55.46000	0.4
57.03449	1.2
61.02932	2.9
67.05514	4.0
69.03441	2.1
69.07077	2.0
71.04995	0.5
73.02935	2.8
79.05515	1.7
81.03445	1.5
81.07063	7.4
83.05007	0.8
83.08636	0.9
85.02909	4.0
89.25877	0.4
91.03967	2.0
91.05498	2.1
93.07051	3.7
95.04977	0.5
95.08620	1.7
95.59736	0.4
97.02908	3.3
97.06564	1.1
98.22968	3.0
99.04523	0.6
101.02412	0.9
105.07024	0.8
107.08611	2.7
111.08096	0.4
115.03943	0.5
117.07032	0.5
119.08614	0.5
121.10179	1.7
127.03945	0.6
131.08600	0.9
133.10194	1.2
135.11723	0.9
149.13335	1.7
151.11292	0.5
159.11723	0.7
185.04243	0.6
195.13908	1.6
200.20235	0.5
201.11337	0.6
235.13167	1.9
243.08347	2.3
269.17529	2.1
291.15729	0.5
325.31937	0.5
377.91489	0.5
453.14532	0.7
453.20987	18.1
665.35187	100.0
666.35382	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	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71051	0.2
53.03937	0.3
55.01862	0.4
55.05512	1.3
57.03436	2.6
61.02929	3.5
65.03936	0.2
67.05503	7.0
67.42370	0.2
68.05825	0.6
68.91690	0.2
69.03422	2.0
69.07066	1.7
71.01348	0.5
71.04998	1.3
73.02916	2.3
79.05491	4.4
80.05858	0.4
81.03417	1.5
81.07053	8.5
82.07390	0.9
83.04978	1.0
83.08616	1.8
85.02907	4.1
85.06493	0.6
87.04478	0.3
91.03957	2.4
91.05476	2.3
93.07043	6.1
94.07397	0.8
95.05012	0.6
95.08611	4.8
96.08932	1.0
97.02905	3.0
97.06546	1.1
98.23489	0.7
99.04482	0.5
99.08095	0.3
101.02357	1.2
103.03911	0.5
105.04567	0.4
105.07037	0.9
107.08596	2.8
108.08984	0.3
109.02890	0.9
109.06559	0.4
109.10155	0.5
111.08104	0.5
117.07019	1.0
119.08557	0.4
121.10141	3.0
122.10460	0.7
123.08097	0.6
123.11708	0.5
124.19577	0.2
125.09629	0.3
127.03917	1.1
131.08574	0.9
133.10115	1.4
135.11632	1.2
139.11290	0.3
141.09161	0.2
145.04980	0.4
149.09569	0.5
149.13272	1.9
150.13591	0.3
157.50867	0.3
159.11632	1.6
163.81262	0.3
167.10699	0.6
177.12784	0.7
185.04269	0.8
190.13684	0.3
195.13791	1.7
203.05339	0.4
229.14456	0.3
235.13055	2.0
241.14511	0.5
242.14655	0.6
243.08388	2.3
269.17484	2.1
270.17743	0.5
273.16907	0.4
291.15845	0.5
319.78302	0.3
409.25812	1.5
410.26117	3.4
424.27649	0.4
435.27386	2.4
436.27744	6.9
453.20935	20.2
454.21561	1.2
467.30145	0.8
468.30521	3.3
503.29684	0.6
558.68250	0.3
665.35022	100.0
666.35364	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	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01877	0.4
55.05514	0.9
56.95179	0.2
57.03437	1.4
61.02633	0.2
61.02931	3.8
67.05505	4.7
69.03430	2.2
69.07059	1.8
71.01353	0.4
71.04993	0.6
71.24205	0.2
73.02918	3.1
79.05502	2.6
81.03423	1.5
81.07059	6.0
83.04985	0.6
83.08639	1.2
85.02912	3.7
85.03414	0.3
85.06551	0.4
87.04482	0.2
90.32931	0.2
91.03954	2.4
91.05479	1.5
93.07045	4.9
93.07600	0.4
95.04986	0.6
95.08624	1.5
97.02901	3.0
97.06531	1.2
99.04470	0.6
101.02374	1.4
103.03950	0.2
105.07051	0.5
107.08598	3.3
109.02897	0.8
109.06549	0.2
109.10139	0.2
111.08098	0.7
115.03963	0.3
117.07049	0.7
119.08604	0.2
121.10159	1.7
127.03918	1.3
131.08624	0.6
133.10132	0.8
135.11711	1.0
145.04913	0.2
146.72261	0.2
149.13261	3.9
159.11699	1.7
177.12785	0.7
185.04277	0.4
195.13881	0.8
235.13072	2.4
243.08409	2.0
269.17621	0.7
291.15643	1.2
297.16998	0.2
453.20981	16.7
454.21359	1.1
503.29932	0.4
665.35040	100.0
666.35394	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04164	0.3
53.03946	0.6
55.05502	1.0
56.24168	0.3
57.03443	1.6
60.94531	0.3
61.02926	3.9
62.34182	0.3
65.11611	0.4
67.05502	4.6
69.03423	2.6
69.07072	1.4
71.04996	0.6
72.45184	0.3
73.02914	3.4
76.79507	0.3
79.05487	2.1
81.03434	1.2
81.07052	6.3
81.07504	0.5
82.97007	0.3
83.08627	1.0
85.02899	3.9
91.03967	3.0
91.05491	1.5
93.07045	4.5
95.04946	0.4
95.08595	1.7
97.02889	3.1
97.06543	0.9
99.04451	0.8
101.02383	1.3
103.03917	0.4
105.07066	0.4
107.08588	2.5
109.02891	0.7
109.10195	0.5
111.08112	0.4
115.03951	0.4
117.07045	0.9
118.07716	0.4
118.66076	0.3
121.10152	1.2
127.03916	1.1
131.08543	0.6
133.10152	1.7
135.11726	1.0
149.13266	2.7
159.11697	1.0
177.12758	0.8
185.04156	0.5
195.13733	1.7
203.05421	0.4
235.13086	1.3
243.08366	1.8
269.17535	0.8
291.15738	0.9
387.51178	0.4
453.14557	0.8
453.20905	15.7
454.21683	0.6
513.54889	0.4
665.35004	100.0
666.35376	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19205	0.3
52.92308	0.3
53.03944	0.5
55.05498	1.4
57.03435	1.4
57.31361	0.3
61.02922	4.4
67.05502	3.8
69.03428	2.8
69.07064	1.3
69.19032	0.8
69.19437	1.1
71.04987	0.8
73.02917	3.4
79.05486	2.4
81.03419	1.6
81.07056	6.3
82.07384	0.3
83.08627	1.8
85.02901	4.7
85.06563	0.3
87.04510	0.3
91.03951	3.0
91.05472	2.2
93.07034	4.0
95.04975	0.6
95.08634	1.3
97.02895	5.0
97.06543	0.8
99.04457	0.8
101.02370	1.7
105.07040	0.9
107.08585	2.7
109.02887	0.8
111.08090	0.4
115.03933	0.5
117.07024	0.8
121.10164	0.9
126.36767	0.3
127.03884	1.5
131.08585	1.1
133.10120	1.4
135.11688	1.4
149.13261	2.2
159.11746	1.0
177.12790	0.5
181.97963	0.3
185.04332	0.5
186.56938	0.3
195.13808	1.7
203.05348	0.4
230.31012	0.3
235.13037	2.1
243.08392	2.6
269.17529	1.2
291.15836	0.5
297.16708	0.4
323.07690	0.3
394.01245	0.3
425.21771	0.5
453.20929	15.8
454.21454	1.0
665.35034	100.0
666.35394	9.7
682.02954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96992	0.4
54.38731	0.4
56.96546	0.8
61.02917	0.5
67.05480	0.6
69.03410	0.7
69.10184	0.7
69.10596	1.8
71.04967	0.9
81.03397	0.8
82.99870	0.8
83.60355	0.4
85.02872	1.6
88.43384	0.4
89.03929	0.7
94.99849	0.4
95.04973	3.1
97.01405	0.5
97.02866	1.4
98.22717	1.0
98.97575	2.5
101.00871	2.9
106.13652	0.4
108.87611	0.4
111.31765	0.3
113.00849	1.5
113.05969	0.7
115.02406	0.9
116.98598	1.1
117.03337	0.6
119.01921	7.4
125.00780	0.7
127.02417	2.5
127.03911	0.8
129.03932	0.8
131.00986	0.4
131.01906	5.7
131.07036	0.8
132.02066	0.5
133.03444	0.5
135.04404	1.2
136.24495	0.4
137.00816	0.4
137.02943	1.0
139.02448	0.7
143.00151	0.5
143.01909	5.3
145.03531	6.1
146.99651	0.5
147.01306	0.6
153.01796	0.6
155.01884	7.4
156.02663	0.7
157.03487	4.9
158.99809	0.4
159.01317	0.6
159.04974	1.1
161.02974	8.0
163.03871	8.5
164.04233	1.5
167.01866	1.0
169.03423	1.4
171.04999	2.1
173.02974	6.0
175.04512	1.2
179.01784	0.6
181.03450	1.8
183.04970	1.2
185.02960	4.3
185.06546	1.1
187.02859	0.6
187.04446	2.3
189.06145	0.6
195.05034	5.4
197.02921	3.4
199.04509	1.0
203.04012	10.6
205.03638	0.6
207.04996	0.6
211.02736	1.5
213.06085	31.2
214.06245	1.3
215.03859	0.5
219.01747	1.7
221.05077	27.7
222.05141	0.5
223.04521	1.0
225.06001	2.9
229.03699	1.2
229.05589	17.9
230.05823	0.6
231.07240	1.9
236.07639	0.5
237.02840	0.9
243.07053	1.0
245.05074	26.9
246.05196	0.9
247.06644	57.6
248.06924	2.5
249.07007	0.6
255.01537	0.5
255.07144	7.9
261.03989	0.9
263.06128	7.0
270.08231	0.9
273.08282	3.3
312.09625	1.8
315.09161	3.8
333.10312	30.7
334.10522	1.6
353.02887	0.4
374.07608	1.3
374.57877	1.3
375.11374	100.0
375.61374	0.5
376.06805	1.3
376.11554	4.0
393.12238	1.6
405.05386	0.5
427.03159	1.9
427.08618	0.4
427.14557	1.8
435.13391	0.6
445.03922	0.8
453.00800	1.3
471.01950	1.0
586.12207	0.5
607.21173	0.6
615.05615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3304
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
52.94441	0.3
53.03966	0.5
55.01878	0.6
55.05517	1.1
57.03438	1.8
61.02933	3.5
67.05513	2.8
69.03444	1.8
69.07076	0.9
69.59192	0.3
71.05015	0.7
73.02922	2.5
79.05492	2.6
81.03424	3.5
81.07077	1.7
83.04994	0.6
83.08625	0.7
85.02467	0.5
85.02918	5.0
91.03962	2.5
91.05499	2.4
93.07050	2.5
95.04993	1.6
95.08632	0.5
97.02909	2.6
97.06529	0.6
97.10227	0.4
98.23260	2.5
99.04492	0.4
101.02396	1.5
105.07054	1.5
107.05028	0.4
107.08622	1.5
109.02899	0.7
112.62953	0.4
119.08603	1.1
121.10138	0.9
127.03972	1.3
129.07021	0.5
131.08525	0.6
133.10185	1.1
135.11710	2.5
145.10110	0.4
147.11717	0.8
157.10170	0.8
175.11234	0.8
181.12288	0.5
193.12318	1.6
194.51324	0.4
203.05345	0.4
211.13388	0.4
221.11617	1.0
243.08511	1.6
251.12601	0.9
290.89417	0.4
307.15405	0.5
439.19458	5.0
469.20502	7.9
667.33038	100.0
668.33325	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	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.1
55.39936	1.1
67.05507	3.6
69.07059	1.8
71.44563	1.4
79.05505	4.3
81.07070	2.5
91.05482	2.3
93.07059	3.1
95.08624	2.7
103.38509	1.2
107.08607	2.6
119.08604	1.5
125.49470	1.1
133.10135	1.6
165.02829	1.1
299.19904	1.8
317.21024	4.1
373.23563	4.6
481.68094	1.3
667.45453	100.0
668.45850	4.7
682.03339	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	668.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.9
55.01828	7.2
56.96559	0.7
57.03387	0.9
65.23852	0.8
68.99755	1.0
69.03440	5.3
73.02877	1.1
74.53060	0.7
81.03424	4.3
83.01349	8.0
85.02927	4.0
85.03315	1.1
95.01314	0.9
97.02826	2.2
98.97534	1.4
99.04400	1.4
101.02348	1.6
102.15361	0.6
107.01273	0.7
109.02895	4.0
111.00741	2.4
123.00791	1.4
127.03915	4.8
139.00266	11.7
141.01729	0.8
145.04965	1.7
153.01785	4.3
155.01924	0.7
157.01273	1.8
163.03946	3.5
166.99745	0.8
169.01390	4.8
170.35223	0.7
171.04361	2.5
175.03958	1.2
176.04739	1.1
176.72437	0.6
185.00826	11.4
186.01535	2.6
186.03046	1.0
187.02348	1.1
187.03900	1.8
189.01874	0.8
191.03398	1.6
199.03845	3.8
202.02422	0.9
203.03450	2.1
204.04147	2.9
205.01465	1.2
213.01866	1.4
213.05919	1.6
214.06273	0.7
215.03391	6.2
217.04755	0.8
218.02090	0.7
219.02908	0.9
221.05087	0.8
223.03796	0.8
229.01260	1.2
231.02910	7.0
232.03537	1.0
241.01360	0.7
241.05005	0.8
243.02895	7.3
245.00836	1.2
245.05099	1.6
246.05142	1.1
247.02374	2.0
247.06664	3.2
248.06818	1.6
251.03369	1.4
253.04988	1.1
257.00891	1.0
259.02402	12.8
260.03195	20.5
260.06055	1.1
261.03964	48.7
267.02811	1.1
268.76196	0.8
269.04425	3.0
273.00305	3.1
274.24075	0.7
275.01743	3.1
276.02588	2.1
279.02875	1.4
281.04562	0.7
283.02396	0.9
285.00677	1.0
285.03888	1.5
286.01123	3.4
287.01859	10.3
295.02527	0.8
297.03876	6.0
300.99719	2.1
301.03299	0.9
302.00574	1.3
303.01331	2.0
307.02380	2.0
309.03931	1.5
313.00125	1.6
313.03384	2.5
314.04288	0.8
323.01892	2.8
325.03363	4.6
328.99323	3.3
329.02914	1.9
333.10471	1.0
337.03448	1.1
341.02753	1.6
342.03616	0.9
343.04468	1.9
349.08096	2.1
351.01367	2.2
353.02991	7.2
354.03268	0.9
363.01712	1.1
369.02484	3.0
371.03870	3.7
375.11343	2.1
376.11502	2.2
379.00760	3.9
381.02405	9.6
397.01932	5.1
399.03464	2.2
407.00406	7.8
409.02121	3.3
410.02716	0.8
425.01553	1.7
426.02313	1.5
427.03000	100.0
428.03485	5.2
434.99783	5.2
444.03079	4.3
445.04056	45.0
446.04578	1.9
453.00916	98.2
454.01358	2.3
471.01978	57.1
472.02432	1.4
489.03360	1.9
513.03186	1.6
530.25549	1.0
579.03992	0.9
597.04993	4.2
615.06189	29.1
616.06824	1.5
633.07251	4.5
678.34796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
55.05528	0.7
60.69670	0.2
65.03932	1.9
69.03449	0.7
71.01394	0.3
72.89598	0.2
79.01857	2.4
81.03419	1.4
83.01376	0.2
83.05010	0.7
93.03423	0.4
96.02127	0.5
97.02914	0.6
107.01355	0.8
109.02911	1.1
111.04448	0.7
124.01572	0.4
125.02351	2.6
127.03897	0.4
128.40424	0.2
139.03909	0.3
143.03413	3.5
143.41684	0.2
152.01047	0.8
153.01826	59.5
153.02887	2.9
154.02155	0.9
157.04964	8.3
167.03389	100.0
168.03731	2.0
177.05464	0.4
179.07080	0.2
189.05533	0.3
195.02876	0.3
205.05013	1.2
209.04492	0.4
213.03923	0.5
223.05946	0.6
231.06384	0.3
233.04491	0.3
247.05899	0.6
251.03070	0.4
251.05501	6.7
275.05286	1.1
279.04739	0.5
293.06454	1.6
297.05832	1.1
311.07675	1.2
331.13693	0.3
463.08688	12.1
464.08353	0.5
481.09851	6.6
482.09280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01881	0.8
55.05516	6.1
57.03180	0.9
57.03442	12.9
57.54419	0.8
59.05006	3.4
60.02382	0.6
61.02932	1.4
65.03951	1.3
67.05511	58.6
69.03428	2.1
69.07069	2.2
69.45225	0.6
70.67221	0.9
70.67559	0.8
71.04989	2.8
79.05505	5.8
81.03424	45.8
81.07065	12.9
81.07516	1.4
83.04980	3.0
83.08150	0.5
83.08622	12.2
85.02908	1.7
85.06535	1.8
88.81734	0.6
91.05484	11.0
93.07047	7.3
95.04972	14.3
95.08622	6.5
97.02881	2.5
97.06528	2.0
97.10175	1.8
99.08054	0.6
105.07048	6.5
107.04975	2.9
107.08593	3.0
109.06499	1.9
109.10166	62.4
111.04414	1.3
111.08081	7.5
113.05972	0.7
115.05423	0.7
117.07060	1.2
119.08611	10.5
121.06490	1.8
121.10155	3.6
123.04388	0.8
123.08099	1.3
123.11690	0.7
125.09600	0.8
127.11237	1.0
129.07025	5.1
131.08595	4.6
133.06488	2.1
133.10146	2.7
137.09636	4.1
142.07794	1.8
145.10146	1.5
147.08078	1.6
147.11670	5.3
149.09607	3.4
149.90572	0.7
155.10674	5.7
155.39868	0.7
157.10124	6.2
165.12833	0.9
173.11758	18.4
173.13242	1.5
175.11214	5.1
193.12267	16.5
211.13393	1.3
229.14360	85.2
230.14787	1.2
249.14952	1.5
267.15927	80.7
299.18582	0.7
329.21124	2.4
403.24841	9.1
421.25861	100.0
422.26465	3.2
463.26801	1.9
529.27936	1.0
547.28912	1.4
565.29755	1.0
668.32849	2.5
669.29077	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	669.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01878	0.4
55.05515	0.4
57.03435	1.6
61.02928	3.4
67.05508	2.3
69.03428	2.1
69.07080	0.5
70.71345	0.2
71.05002	0.5
73.02914	2.5
79.05495	1.4
81.03416	4.8
81.07050	1.2
83.04980	0.5
83.08634	0.4
85.02905	5.3
87.04474	0.4
91.03954	2.8
91.05477	5.3
91.06056	0.3
93.07063	1.8
95.04975	0.9
95.08611	1.0
97.02888	3.8
97.06506	0.3
98.23530	0.4
98.63818	0.1
99.04471	0.7
99.08086	0.2
101.02381	1.5
103.03934	0.3
105.07031	1.4
107.04970	0.5
107.08583	0.2
109.02884	0.8
109.06525	0.4
109.10136	0.8
111.04440	0.2
111.08084	0.2
112.33005	0.1
115.03952	0.3
117.07032	0.3
119.08575	5.2
121.06527	0.3
121.10191	0.6
123.08073	0.3
123.11726	0.2
127.03937	1.3
129.07024	0.7
131.08594	0.4
133.10124	0.8
135.58040	0.2
137.09613	1.9
145.04959	0.3
147.08032	1.2
147.11732	0.6
157.10184	0.5
165.09111	1.7
175.11227	0.3
180.78079	0.1
183.10196	0.2
185.04247	0.4
193.12201	1.0
203.05246	0.3
211.13341	0.4
223.09428	0.7
243.08420	2.1
251.12680	1.0
257.13992	0.3
259.07996	0.4
279.12115	0.5
291.20697	0.2
298.95154	0.2
307.15231	0.4
309.28036	0.2
350.06464	0.2
441.17319	9.1
442.18033	0.4
443.02795	0.2
469.20496	4.5
469.27191	0.3
470.21329	0.2
507.25867	0.3
545.63123	0.2
547.17816	0.2
669.30890	100.0
670.31195	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	669.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05497	1.7
57.03436	3.6
57.07083	1.4
57.36393	0.7
61.02936	4.2
67.05508	3.5
69.03426	2.8
69.07073	2.6
70.15775	1.7
70.16138	0.9
71.04991	1.0
73.02917	2.5
79.05501	3.0
81.03419	2.9
81.07054	2.8
83.04982	0.9
85.02902	6.0
91.03954	4.9
91.05486	2.4
93.07048	4.2
95.04973	0.9
95.08636	1.4
97.02898	5.8
97.06545	1.2
99.04454	1.5
101.02385	2.7
103.03930	0.9
105.07014	1.6
106.86385	0.7
107.08642	1.5
109.02850	2.4
109.10174	0.9
111.08081	0.7
114.26291	0.8
115.03944	1.1
119.08592	1.6
121.10149	3.5
122.10429	0.8
123.04197	1.0
125.09572	0.9
127.03922	1.8
129.05486	3.2
131.08623	1.4
133.10146	0.9
139.11165	1.3
149.09615	0.8
149.13268	0.7
156.03889	0.9
162.10036	0.9
167.10689	1.4
171.10152	1.1
181.04675	1.1
185.04193	5.3
195.06331	1.8
201.03700	1.7
201.14813	0.9
203.05264	0.9
207.10017	2.1
227.75298	0.8
233.11481	4.5
241.06824	0.9
242.56073	0.7
243.08376	4.4
277.14172	1.6
291.11942	0.7
301.08929	13.8
305.13672	1.3
313.09015	1.2
315.10715	5.6
317.08511	1.4
323.14728	2.4
327.10486	1.0
341.12192	1.5
343.13773	2.7
351.14154	2.8
355.13623	7.1
357.15488	1.0
371.16589	1.1
373.11035	11.1
383.16870	2.3
385.18201	7.0
395.16708	1.1
397.18375	2.5
399.12772	1.0
415.15701	16.1
425.17758	21.1
429.17725	1.3
439.19522	1.1
441.17169	3.5
453.21048	1.2
455.18814	5.8
456.19586	2.5
457.20618	3.4
471.22235	1.0
483.21927	0.9
484.19009	4.0
497.19913	9.2
499.24991	2.8
511.21545	3.3
525.22827	3.6
539.28540	11.8
540.29028	3.0
567.27557	6.2
568.28741	2.7
607.30939	1.5
609.29126	1.2
623.30377	12.8
651.29724	2.3
652.30383	1.1
669.30707	100.0
670.31012	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	669.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03953	0.4
55.01866	0.4
55.05507	0.9
57.03442	2.1
61.02928	3.3
67.05500	3.6
69.03438	2.6
69.06697	2.1
71.01358	0.4
71.05000	2.3
71.11375	0.4
73.02913	2.9
79.05486	3.2
81.03413	2.1
81.07053	3.0
83.04974	0.5
83.08636	0.9
85.02917	3.4
91.03958	2.4
91.05479	1.8
93.07038	4.5
95.04968	0.6
95.08601	2.7
97.02891	2.8
97.06528	0.5
98.22694	0.8
99.04466	0.7
101.02396	1.1
103.03982	0.4
105.07034	1.2
107.08611	1.4
109.02876	0.5
109.10138	0.6
117.07023	0.4
119.08600	0.4
121.06599	0.4
121.10151	3.8
123.08075	0.4
123.11688	0.7
127.03931	1.5
129.05547	0.6
131.08563	0.9
133.10150	1.4
139.11203	1.0
149.09612	0.4
149.13275	0.4
151.11176	0.8
159.11719	0.6
167.10689	0.9
183.13843	0.3
185.04321	0.8
195.13904	0.4
239.97412	0.3
241.14293	0.5
243.08380	2.0
253.14140	0.4
263.12509	0.5
267.15842	1.4
299.28995	0.4
337.97873	0.4
341.78256	0.4
415.15244	0.4
425.17841	8.8
426.18707	0.4
453.20941	2.0
457.20740	2.0
471.22064	0.4
485.23657	4.3
507.29486	0.5
539.28137	0.4
562.91370	0.4
597.28717	2.0
659.06506	0.5
669.34521	100.0
670.34747	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	669.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
58.81334	1.3
67.05506	3.9
69.07095	1.2
79.05482	1.9
81.07066	4.1
91.05488	1.9
93.07061	2.6
95.08607	2.5
109.10133	1.5
121.10219	1.3
210.72684	1.2
286.87845	1.2
317.20801	1.6
319.22391	1.3
352.71008	1.1
363.75827	1.1
373.23853	1.9
375.25281	1.8
612.58582	1.2
669.46979	100.0
670.47516	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	671.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60938	1.5
72.78850	0.4
78.33266	0.4
143.61603	0.4
185.07860	1.0
188.07054	0.9
271.44962	0.6
338.00739	0.5
347.13113	100.0
348.13400	2.9
655.68024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01867	1.3
55.05289	0.7
55.05516	6.0
57.03444	4.9
57.07078	0.8
58.27666	0.6
60.12771	0.5
65.03925	1.2
67.05506	25.9
67.05869	1.3
69.03442	0.9
69.07071	8.3
70.71479	0.8
71.04983	1.6
79.05494	30.6
81.03422	2.2
81.07055	28.3
83.04984	5.4
83.08622	5.6
85.02894	0.8
85.06544	1.3
87.08125	0.8
91.05480	19.9
91.06062	1.1
93.07046	31.5
95.04964	7.7
95.08611	11.0
97.06530	4.2
97.10205	1.5
105.04520	1.8
105.07024	12.2
107.04964	2.0
107.08592	13.2
109.06521	2.6
109.10148	2.1
111.08073	2.3
117.07008	4.8
119.08587	7.7
121.06496	1.4
121.10151	6.0
123.08067	1.7
129.06996	5.1
131.08569	3.6
133.06549	0.6
133.10133	5.4
135.08069	0.7
135.11670	2.2
136.74437	0.6
143.08560	2.3
145.10089	2.8
147.08076	0.7
147.11682	10.3
149.13240	9.8
159.11691	3.0
161.09650	1.9
161.13257	3.2
171.11674	7.1
177.12769	1.7
189.12743	3.0
195.13829	2.6
201.99294	0.6
207.13803	7.6
213.15024	0.6
269.17477	21.1
281.17474	24.6
282.17908	0.8
457.29352	0.7
475.30557	100.0
476.30914	6.5
673.41663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51682	0.4
53.03951	1.6
55.01886	0.6
55.05515	7.4
57.03441	3.8
57.07082	0.5
61.02924	1.0
65.03956	1.1
67.05512	24.3
69.03443	0.6
69.07077	7.1
69.81008	1.1
71.05005	1.8
71.08621	0.5
73.02923	0.5
73.06577	0.5
77.03975	0.6
79.05501	26.2
79.56190	0.4
81.03423	3.7
81.07066	26.8
83.04993	5.2
83.08624	5.0
84.33035	0.4
85.02913	1.1
85.06564	1.7
91.04991	0.2
91.05489	19.0
93.07053	31.0
95.04978	7.3
95.08621	10.8
97.02889	0.9
97.06528	3.1
97.10191	0.9
99.04561	0.5
104.93047	0.4
105.04520	1.5
105.06346	0.8
105.07043	12.3
107.04952	2.6
107.08601	11.4
109.06511	2.2
109.10183	2.2
111.08097	1.2
113.62682	0.4
117.07024	4.7
119.08587	7.7
120.71521	0.4
121.06549	1.5
121.10154	4.8
123.08107	1.4
123.11703	1.1
127.07531	0.7
128.06206	0.5
128.40689	0.4
129.07011	4.7
131.08589	3.2
133.06549	0.7
133.10153	7.0
135.08078	0.9
135.11707	3.3
143.08516	1.9
145.10170	2.2
146.32185	0.5
147.08142	0.7
147.11694	9.9
149.13275	4.7
151.11240	0.8
159.11674	2.4
161.09689	1.4
161.13280	3.1
163.11147	0.5
171.11708	6.6
177.12860	0.7
189.12776	2.6
195.13834	3.0
207.13821	6.6
208.14328	0.4
211.07394	0.5
213.14893	0.6
269.17502	17.5
281.17508	18.3
282.17743	0.5
285.42487	0.4
457.29437	0.8
469.16983	0.4
475.30600	100.0
476.30951	5.2
619.34705	1.8
672.39032	0.5
673.40771	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19534	0.6
55.05514	5.9
57.03441	4.9
57.07076	37.4
61.02927	12.5
67.05506	9.9
69.03441	1.6
69.07071	7.2
71.04955	0.9
71.08630	30.2
73.02916	5.7
75.04469	1.9
78.99237	0.6
79.05487	1.5
81.03419	1.4
81.07059	15.6
83.08614	11.9
85.02901	16.9
85.10181	17.1
89.06046	0.9
91.03957	15.9
91.05466	1.2
93.07040	1.3
95.04958	0.8
95.08602	23.5
96.08970	0.7
97.02332	0.9
97.02897	8.3
97.10162	5.9
99.04449	0.9
99.11727	2.1
103.07565	1.0
105.06991	1.0
107.08599	0.9
109.10157	11.7
111.11725	0.9
113.22681	0.7
115.03891	0.9
119.08540	0.8
123.11716	4.5
125.13257	0.8
127.03928	4.7
133.10106	0.8
135.26703	0.6
137.13283	1.7
145.04961	8.3
145.10150	0.7
151.14879	1.2
163.06012	13.7
165.16386	0.7
212.46855	0.7
221.22668	1.1
239.23679	19.9
257.24722	4.0
298.27203	0.9
313.27359	100.0
314.27740	2.5
331.28409	48.1
332.28650	0.9
422.48569	0.6
492.48709	0.8
641.25525	1.0
672.41077	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	673.3232
Annotation	Heterotropatrione
Peak:m/z	Relative Intensity
55.05511	0.7
55.81073	0.3
57.03445	0.5
66.41824	0.3
67.05507	3.3
68.05846	0.5
69.07079	0.7
79.05498	1.8
81.03443	0.4
81.07056	2.5
85.06552	0.3
86.09711	1.4
91.05480	0.8
93.07038	2.1
95.08611	6.8
96.08951	1.6
99.83042	0.3
105.03387	0.5
105.07038	0.7
107.08606	0.9
109.10165	0.5
119.08577	0.8
121.10168	0.7
123.11729	0.4
125.00050	1.0
131.08574	0.6
132.07985	0.3
135.11702	0.4
145.10139	0.5
147.11723	0.3
149.06090	0.6
149.13287	0.4
159.09155	0.9
159.10303	0.6
161.14828	0.3
174.00516	0.3
184.07343	4.4
209.10727	0.5
210.11531	0.5
211.12418	0.6
215.12837	2.5
216.13245	1.0
223.12149	0.8
224.13155	0.5
225.13893	0.9
237.13904	0.9
238.14751	1.0
239.15407	1.8
247.12436	0.3
249.13997	0.4
251.15158	0.3
253.17075	0.9
261.13962	0.3
261.22098	0.5
262.22409	0.3
263.11639	0.4
263.15579	0.5
276.14929	0.3
278.16562	0.3
288.15021	0.3
297.15997	0.4
299.14258	0.3
307.18127	0.4
314.16742	0.4
316.18246	0.4
335.25748	2.2
336.26083	1.5
377.17731	0.6
379.18982	0.4
381.20798	0.6
382.22839	0.4
387.20010	0.4
395.18408	0.5
404.23438	0.4
407.22552	0.5
408.19791	0.5
409.20270	3.1
410.20996	0.4
411.22043	0.4
418.17587	0.5
420.19336	0.9
421.20358	1.2
422.20911	0.7
423.22202	2.1
424.22717	0.5
434.21338	0.5
435.22000	2.2
436.22421	0.9
437.23538	6.0
438.20081	0.4
439.21503	1.2
446.16898	0.4
449.23578	4.4
451.21207	0.5
453.23566	1.6
463.20831	2.3
465.19281	0.6
467.20636	0.4
475.34259	1.3
476.34653	2.1
477.22906	2.3
478.24017	0.4
479.20209	0.5
482.22952	0.4
483.23935	0.8
489.26321	1.2
493.22052	0.4
495.24017	1.6
496.24411	0.4
497.25906	0.6
507.23935	0.5
508.24390	0.4
509.25552	2.6
510.26413	0.6
511.27255	5.0
513.24640	1.7
521.25092	0.4
522.25940	1.2
523.27118	3.0
524.27551	0.5
525.25049	0.9
527.26483	0.7
536.27582	0.9
537.28802	0.6
538.25214	0.3
539.26062	0.5
541.27875	1.0
542.25104	0.6
549.23657	0.4
553.28668	1.5
555.26251	1.0
557.27643	1.9
557.35529	0.4
563.26465	2.2
564.27203	1.5
565.28009	1.5
567.27173	0.4
569.27728	1.8
571.26288	0.4
581.27850	0.5
582.28809	1.2
584.30042	2.5
585.27173	0.5
591.26312	0.5
595.29340	3.9
596.29865	1.0
597.30518	2.0
600.29346	1.1
601.26678	0.8
613.30261	2.9
623.28906	1.1
626.27905	0.6
641.29413	0.6
655.31073	2.9
655.40619	0.4
656.31000	0.6
658.29535	0.8
673.32263	100.0
674.32690	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	673.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36929	0.3
61.36898	0.3
67.05502	1.2
69.07064	0.7
79.05481	0.6
79.61332	0.4
81.07050	1.7
85.64707	0.3
91.05492	0.6
93.07047	0.6
95.08615	0.8
98.23462	1.1
105.07054	0.7
107.08613	0.4
131.08597	0.4
133.10161	0.4
133.59521	0.3
153.13689	0.4
159.09253	0.8
210.11356	0.4
211.01720	0.4
223.12309	0.7
224.13095	0.7
225.13913	1.1
235.12462	0.4
237.13863	1.0
238.14679	0.7
239.15561	1.2
251.15565	0.4
253.13333	0.4
253.17064	0.7
263.15610	0.5
279.15012	0.5
291.19730	0.7
297.16022	0.4
301.12274	0.4
316.17941	0.5
318.16144	0.4
332.17923	0.4
336.26321	0.5
364.16553	0.4
367.19327	0.5
381.21106	0.6
393.20898	0.4
395.18726	0.9
404.23599	0.5
406.17319	0.4
407.22415	0.6
408.19553	0.6
409.20325	1.4
420.19574	0.8
421.20029	1.0
423.22122	1.7
424.23105	0.6
434.21204	0.5
435.22052	1.7
436.22513	0.9
436.89554	0.4
437.23648	3.7
438.20880	0.4
439.21521	1.0
449.23636	2.9
453.23041	1.3
455.24542	0.5
463.21451	1.1
467.21652	0.4
469.22186	0.5
477.22906	1.7
479.20636	0.5
481.22189	0.5
482.23004	0.7
483.24146	0.6
489.26727	0.4
493.22653	0.5
495.23730	0.7
496.23630	0.6
497.25504	0.6
509.25540	1.8
511.27243	4.5
512.27649	0.4
513.24506	2.1
522.26422	0.4
523.26953	1.9
525.25226	1.0
526.25720	0.4
527.26843	0.4
535.27161	0.3
536.27759	0.6
537.28796	0.5
539.26355	0.5
540.26941	0.5
541.28058	1.2
553.27997	1.0
555.26215	1.2
557.27399	1.9
563.26556	0.9
564.27423	0.8
565.27637	1.0
567.25861	0.9
569.27899	1.8
570.26593	0.4
571.26746	0.4
581.27765	0.5
582.28748	0.6
584.29999	2.0
585.27643	1.3
586.29956	0.5
595.28888	1.4
596.29932	0.6
597.30396	2.3
599.29468	0.6
600.29803	1.6
601.27380	0.5
609.23505	0.5
613.30145	2.6
623.28778	0.7
626.27301	0.6
641.29285	1.1
655.31006	0.6
658.30469	0.8
673.32257	100.0
674.32642	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	673.3404
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03953	0.5
55.01866	0.6
55.05508	1.3
57.03442	1.6
59.04998	0.6
61.02925	3.7
67.05505	5.5
69.03442	2.0
69.07082	0.7
69.76771	0.8
71.04985	1.5
73.02907	2.2
73.31573	0.3
79.05493	2.3
81.03413	3.0
81.07056	2.7
83.04987	0.8
83.08626	1.1
85.02908	3.3
85.06545	0.5
87.04473	0.3
91.03966	2.3
91.05472	2.6
93.07043	1.4
95.04964	1.7
95.08614	1.7
97.02900	2.5
97.06526	0.5
99.04456	0.6
101.02401	1.0
105.07052	1.1
107.04986	0.5
107.08624	1.2
109.02899	1.0
109.10160	4.5
111.04455	0.3
111.08114	0.5
117.25230	0.3
117.66582	0.3
119.08595	1.3
121.06508	0.5
121.10131	1.6
125.09657	0.6
127.03938	0.9
127.83933	0.3
129.07030	0.8
131.08600	1.2
133.10150	0.7
137.09575	0.4
145.10139	0.6
147.11708	1.2
149.09671	1.0
151.11229	0.4
157.10120	0.5
163.11250	0.4
166.69955	0.3
173.11789	1.1
175.11270	0.9
193.12318	1.2
195.10019	0.6
198.12468	0.3
203.05350	0.3
225.14931	0.4
227.12761	0.4
229.14415	1.2
243.08344	1.8
267.15961	1.1
283.15158	3.5
339.18008	0.5
353.89093	0.3
367.22610	0.4
385.23782	0.6
413.17834	9.9
459.27487	2.9
477.28445	2.7
493.28619	0.4
501.23022	8.5
502.23822	0.3
655.33582	0.4
673.34027	100.0
674.34393	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	674.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.37187	1.4
69.03442	2.4
71.44761	1.5
73.40353	1.5
76.71592	1.3
77.80557	1.4
85.02932	7.4
103.03966	2.3
103.05462	1.9
119.04984	3.0
131.04944	4.6
133.02863	5.6
147.04420	2.6
150.03116	4.9
151.03835	1.6
153.01909	1.7
153.05396	2.4
159.04443	5.1
163.03891	11.6
167.03395	1.6
175.03915	6.7
177.01878	11.0
177.05486	3.6
179.03433	4.8
181.04985	26.6
187.03876	4.2
191.03409	15.3
191.06981	1.6
193.04971	5.8
194.02164	2.5
195.02882	8.2
197.04460	12.3
204.04161	3.7
205.04947	12.4
206.02150	1.8
207.02919	3.3
207.06535	1.5
209.04465	23.4
211.02516	2.4
215.03291	2.9
219.02977	1.9
219.06554	8.1
221.04520	11.8
223.02408	5.2
223.06050	1.9
232.03595	2.0
233.04500	15.0
235.06187	3.5
245.04494	4.5
247.06004	12.7
251.05516	23.2
255.04965	1.6
257.04462	2.4
259.38705	1.4
263.05551	21.6
275.05469	16.5
277.87573	1.5
281.06473	7.2
283.09720	1.5
293.06604	23.7
311.07620	15.9
329.08698	100.0
330.09119	2.2
481.27289	1.5
622.40326	1.7
654.83362	1.7
696.29742	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	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
55.05508	9.5
57.03436	9.9
57.07080	0.8
59.05008	1.2
59.92561	0.6
61.02932	3.2
62.99432	0.6
65.03936	0.9
67.05502	25.7
69.03429	1.3
69.07071	7.1
69.64517	1.7
70.06583	0.8
71.01353	0.8
71.04984	3.4
73.02924	0.9
79.05489	18.6
81.03411	5.1
81.07054	35.4
83.01340	3.7
83.04980	7.1
83.08613	9.3
85.02905	4.0
85.06543	1.8
88.07581	0.8
91.03939	0.6
91.05471	12.4
91.05989	1.1
93.07043	27.9
95.04971	5.9
95.08604	11.0
97.02876	1.9
97.06533	6.1
97.10146	1.3
99.04437	1.3
99.08097	1.4
105.04523	1.0
105.07022	6.9
107.04946	4.6
107.08588	18.0
109.06516	3.9
109.10162	2.6
111.04429	1.1
111.08057	3.6
117.07008	4.4
119.08582	4.5
121.06539	2.1
121.10139	8.5
123.08072	3.6
123.11724	1.2
125.09617	0.9
130.07787	0.8
131.08566	3.7
133.10117	4.2
135.08092	1.4
135.11699	8.4
137.09593	0.7
143.08595	1.0
145.06451	0.6
145.10124	6.2
147.08070	1.1
149.02336	3.5
149.09589	0.9
149.13246	11.6
151.11240	0.6
153.12758	1.1
159.11700	4.6
163.09801	0.8
163.11182	12.0
173.09628	1.7
177.12759	2.1
181.12257	1.3
191.10667	1.6
192.28520	0.6
193.04942	1.9
195.13789	6.0
209.11734	3.6
213.14914	0.8
227.12732	2.7
228.23303	1.7
232.42203	0.5
239.56837	0.6
265.14511	1.2
268.01498	0.6
269.17456	51.2
270.17813	1.9
272.25766	0.6
283.15387	39.9
284.15799	1.2
385.09000	0.8
429.11642	1.0
459.27567	3.2
473.13904	0.9
477.28464	100.0
478.28665	6.5
674.35187	5.8
675.26471	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	674.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.4
52.45138	0.4
55.01871	1.6
55.05512	7.3
57.03437	5.7
57.07072	0.9
61.02932	1.4
65.03953	0.5
67.05503	22.2
69.03423	1.3
69.07065	9.4
71.04987	2.8
71.08624	0.6
73.02927	0.8
79.05490	16.8
81.03418	4.4
81.07056	30.7
83.01373	0.6
83.04984	4.6
83.08611	8.7
85.02914	1.8
85.06536	1.3
91.03964	0.5
91.05477	9.3
91.06047	0.7
93.07043	29.0
94.07379	0.8
95.04958	4.2
95.08606	17.5
95.41410	0.5
97.02886	2.0
97.06526	5.2
97.10162	1.6
98.23476	1.4
99.04464	1.6
99.08097	1.1
105.04499	0.5
105.07021	4.9
107.04957	4.5
107.08591	20.1
109.06528	1.9
109.10158	3.0
111.04469	1.0
111.08079	3.5
113.06056	0.6
117.07004	5.4
119.08570	5.0
121.06510	2.5
121.10143	10.7
123.08074	2.0
123.11716	1.0
125.06013	1.1
125.09637	1.1
130.07794	1.2
131.08549	3.7
133.10129	4.3
135.08083	1.0
135.11693	22.3
139.07573	0.8
139.11201	0.6
143.08580	0.6
145.06494	0.8
145.10114	10.9
147.11734	0.9
149.09679	0.5
149.13255	12.8
151.11133	0.9
151.15279	0.5
153.12865	0.5
156.04236	0.5
159.11674	4.2
163.11177	26.4
164.11536	0.6
173.09665	1.0
177.12727	2.9
181.12282	4.7
185.25763	0.4
193.12279	1.0
195.13786	4.2
196.72992	0.4
209.11737	1.3
213.14841	0.8
225.46207	0.5
227.12766	24.0
267.15881	1.6
269.17471	59.0
270.17865	1.4
283.15393	30.0
284.16016	1.4
417.16724	0.8
459.27496	1.3
477.28470	100.0
478.28754	5.9
497.18292	2.6
643.23785	0.6
657.21869	0.7
674.32623	0.6
675.26489	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	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	1.2
55.01778	3.2
55.02071	1.0
55.05419	9.3
55.05719	2.4
57.03340	4.1
57.07000	0.6
59.04910	0.8
61.02828	3.5
61.03163	1.1
65.03867	1.0
67.05399	20.0
67.05801	3.7
69.03335	1.9
69.06960	6.3
69.07365	1.0
70.28406	0.5
71.01264	0.7
71.04881	2.1
71.05241	0.8
73.02801	0.7
77.03827	0.6
79.05379	17.5
79.05876	2.1
81.03301	6.7
81.06941	21.0
81.07471	2.1
83.04865	6.4
83.08508	6.7
85.02779	3.3
85.06415	2.2
85.06888	1.0
91.03869	1.1
91.05359	17.0
91.05974	1.6
93.06920	17.8
93.07567	1.7
95.04847	10.8
95.05518	1.2
95.08485	8.8
97.02778	2.6
97.06398	4.5
97.10044	8.4
99.04347	1.2
99.07996	1.1
105.04436	0.8
105.06906	11.4
105.07658	1.1
107.04827	5.2
107.08459	14.0
109.02771	0.7
109.06387	3.8
109.10149	9.5
111.04418	4.8
111.07939	2.5
111.08601	0.7
113.05910	0.9
117.07018	6.8
119.08579	7.7
120.08043	1.0
121.02665	0.6
121.06514	4.7
121.10145	6.3
123.04335	1.1
123.07932	1.9
123.11561	1.8
125.09631	6.5
127.03852	0.7
127.07412	0.9
128.06070	0.8
129.07001	3.7
131.04851	1.0
131.08568	9.2
133.06364	2.0
133.10117	10.5
135.08073	2.9
135.11682	6.2
137.05879	0.8
137.09499	1.3
139.09395	0.6
141.06863	0.8
143.08562	3.2
143.10527	0.7
145.06479	4.1
145.10114	6.4
147.04346	0.9
147.07906	2.6
147.11665	1.2
149.05827	0.8
149.09473	2.7
149.13097	2.8
151.07526	0.7
151.11177	3.9
153.08916	1.9
153.12582	2.5
155.08559	3.5
157.06387	1.0
157.09967	2.3
159.07967	1.1
159.11690	4.4
161.05901	1.1
161.09479	1.8
161.13185	0.6
163.11165	7.0
165.09021	1.0
166.08583	0.8
167.08447	0.8
169.09900	1.7
169.12178	0.7
171.07942	0.9
171.11572	2.6
173.09607	3.2
173.13074	1.0
175.11028	1.3
177.12625	1.4
179.10616	0.8
181.09969	1.4
181.12080	2.8
183.11482	1.1
185.09535	1.2
185.13248	1.2
187.11192	1.3
187.14761	1.3
189.09108	0.7
189.11060	3.6
189.12660	1.2
191.10561	2.1
193.10135	0.7
193.12067	2.8
195.11642	1.5
195.13588	1.3
197.13249	1.1
199.11110	1.6
203.14252	0.8
205.15695	0.9
207.13754	1.5
209.11610	1.0
213.12640	1.3
215.14320	1.7
223.13057	0.7
227.12663	3.7
231.13788	1.0
233.15320	4.3
237.09991	0.6
255.13844	0.9
264.08844	0.7
265.09271	1.1
267.15775	1.2
269.17557	6.9
278.10083	0.7
283.15399	8.8
284.15906	0.8
291.07153	0.7
293.09079	1.5
294.09402	1.8
339.13531	0.8
339.23074	2.2
349.21576	2.0
352.10129	0.8
357.24146	2.7
367.22647	9.4
370.09824	0.7
385.23703	22.9
386.23944	1.0
403.24762	5.9
431.28030	1.7
441.26437	2.7
447.17346	0.8
459.27396	100.0
460.27826	4.3
477.28479	88.7
478.28699	4.6
479.19305	0.9
495.29581	6.9
519.19690	0.7
551.22290	4.8
552.22986	9.5
581.53687	0.7
674.34686	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	674.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
55.05257	0.7
55.05520	11.2
57.03448	10.2
57.07088	0.8
59.05011	1.1
61.02942	4.2
65.03957	1.1
67.05515	22.8
68.93689	0.5
69.03443	1.6
69.07075	7.3
71.04996	2.9
72.61687	0.5
73.02945	1.2
76.80211	0.5
77.03899	0.6
79.05042	0.8
79.05505	19.4
81.03429	21.7
81.07068	32.5
83.01352	3.0
83.04996	8.7
83.08133	0.6
83.08632	13.5
85.02916	5.7
85.06564	1.7
91.03971	1.9
91.05493	14.2
93.07057	27.2
95.04980	10.3
95.08621	9.3
97.02912	3.1
97.06543	5.2
97.10179	1.9
98.22617	0.9
98.23328	2.2
99.04478	1.4
99.08109	1.5
105.04512	0.8
105.07043	9.4
107.04975	5.8
107.08608	16.3
109.02884	0.6
109.06532	4.3
109.10175	1.7
111.04480	1.7
111.08095	4.5
117.07027	5.2
119.08592	7.4
121.06538	3.3
121.10154	8.7
123.08084	3.8
123.11731	1.9
125.05989	1.0
125.09634	1.0
125.82609	0.4
127.03938	1.0
129.07022	3.5
130.07858	0.7
131.08583	7.3
133.06599	0.9
133.10133	6.6
135.08093	2.0
135.11705	9.0
137.09650	1.4
143.08623	1.1
145.06517	1.3
145.10141	9.1
147.08096	1.5
147.11700	1.7
149.09659	1.9
149.13271	4.7
151.11150	0.6
153.12758	1.3
155.08607	0.7
157.10170	3.1
159.11719	3.3
163.11198	11.9
164.11438	0.5
165.12767	0.9
173.09671	1.4
175.11215	2.3
177.12762	1.1
181.12254	1.4
191.10751	1.4
193.12248	5.8
195.13826	4.7
209.11758	2.6
211.13304	3.3
227.12833	1.9
228.23222	0.6
249.15175	0.7
251.16528	0.6
267.13080	1.1
267.15942	19.8
268.16418	1.0
269.17511	30.1
270.18033	0.7
273.14944	0.8
283.15430	47.3
284.15884	1.0
285.17029	3.5
349.21667	0.6
367.22772	2.0
385.23816	2.1
403.25073	0.6
433.26013	2.1
441.25775	0.6
459.27469	11.3
463.30478	0.8
473.02048	0.5
477.28543	100.0
478.28836	5.9
674.35468	1.8
675.27240	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	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05508	9.0
57.03196	0.8
57.03431	4.3
59.05015	0.8
61.02946	2.9
65.03937	0.7
67.05503	18.4
69.03423	1.8
69.07067	6.0
69.39619	2.3
70.69042	0.5
71.04996	2.2
73.02917	0.7
79.05489	15.6
80.88612	0.5
81.03415	10.4
81.07056	21.6
83.01354	1.6
83.04974	6.1
83.08614	8.7
85.02907	4.8
85.06553	1.8
91.03964	1.5
91.05476	11.1
93.07045	17.6
94.18259	0.5
95.04965	6.7
95.08602	7.4
97.02902	1.8
97.06539	4.2
97.10171	5.1
98.23460	1.2
99.04488	1.1
105.04522	0.6
105.07024	7.4
107.04942	3.3
107.08595	12.3
109.06525	2.6
109.10168	3.6
111.04440	3.9
111.08075	4.6
117.07008	5.0
119.08570	4.7
121.06501	2.7
121.10147	7.1
123.04549	0.5
123.08073	3.0
123.11784	0.6
125.05967	0.7
125.09621	3.8
127.03932	0.5
129.07007	2.3
131.08568	5.5
133.06468	1.0
133.10098	4.1
135.08069	2.0
135.11690	5.2
137.09610	1.3
143.08559	1.7
145.06493	2.1
145.10104	6.8
147.08052	1.6
147.11702	1.9
149.09602	1.6
149.13284	5.2
151.11153	1.1
153.09132	1.3
153.12746	3.5
155.08592	1.3
157.10150	1.6
159.11694	3.6
161.06073	0.6
161.13229	0.6
163.07545	0.6
163.11194	11.0
165.09123	3.3
169.10173	0.6
173.09659	1.9
175.11253	1.2
177.12776	2.1
181.12256	3.3
185.13347	0.7
189.11143	1.3
191.10687	2.2
193.12247	2.9
195.12029	0.6
195.13715	3.0
197.13316	0.9
205.15732	0.6
209.11769	2.0
211.13367	2.1
213.14870	1.2
215.14369	0.7
220.71468	0.5
227.12726	5.1
233.15468	1.8
263.26913	0.6
267.15866	8.7
268.16260	0.7
269.17471	14.8
273.14914	1.2
283.15387	16.7
285.16904	2.7
303.99454	0.5
339.23337	0.8
349.21539	0.7
367.22772	2.8
385.23749	5.0
403.24838	3.0
433.25955	1.7
441.26346	1.7
459.27405	19.4
460.27927	0.9
477.28461	100.0
478.28748	6.4
495.29559	14.9
496.29874	0.9
674.34143	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	674.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
53.57647	1.2
55.05498	4.0
56.23475	1.2
57.03427	3.4
57.07080	1.6
59.04993	1.2
63.79177	1.2
65.03938	2.3
67.05510	20.9
69.07074	7.9
71.04966	1.7
73.02888	1.4
74.61858	1.2
76.28823	1.2
79.05499	11.8
81.03447	2.4
81.07058	27.9
83.04980	2.7
83.08620	5.4
85.06536	1.3
88.55277	1.3
91.05468	9.0
91.66689	1.1
93.07047	21.0
95.04943	2.8
95.08613	7.9
97.06528	3.8
98.22724	3.8
99.08107	2.0
105.07027	5.4
107.08591	12.0
109.06530	1.6
109.10169	4.1
111.08089	2.6
117.07007	4.4
119.08579	5.1
121.10152	8.9
131.08560	4.4
133.10123	5.1
134.08394	1.2
135.11659	3.9
143.08534	1.2
147.11752	1.7
149.02338	22.6
149.03416	2.4
149.09546	1.3
149.13266	13.8
159.11679	4.9
161.81734	1.3
177.12695	3.7
193.04961	31.2
195.13841	8.4
213.16495	2.5
222.74834	1.3
229.14421	3.7
231.17450	3.4
237.07581	10.6
249.98895	1.4
269.17474	77.8
270.17825	2.4
283.15399	2.0
341.06595	6.9
359.07556	4.3
385.09161	14.1
413.48273	1.3
419.94199	1.2
429.11819	42.9
430.12161	3.2
463.30530	100.0
464.30911	4.3
477.28345	3.0
674.34473	26.5
675.33362	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
67.05509	2.1
67.96561	0.5
69.07056	1.2
78.73202	0.5
79.05490	2.0
81.03426	1.5
81.07062	2.3
83.04973	0.7
83.08595	0.6
85.02918	0.9
91.05481	2.2
93.07056	1.9
94.06574	2.0
95.04977	0.7
95.07339	1.4
95.08589	1.0
96.08118	3.3
96.08672	0.5
97.06530	0.8
98.23476	0.8
100.44922	0.5
105.07024	0.7
107.08598	1.4
108.08127	4.0
109.10163	2.1
110.09679	6.1
111.08100	1.7
111.15225	0.6
119.08565	1.3
120.04481	3.3
120.08099	4.3
121.10105	0.9
122.06011	1.1
122.12106	0.5
124.07617	1.6
125.09652	0.7
125.40430	0.5
131.08569	0.9
133.10147	1.0
136.07547	3.4
138.09140	8.6
146.06053	0.5
147.11710	0.9
148.07588	1.8
149.09673	0.6
150.09172	0.6
152.07071	1.7
162.09193	0.5
164.07150	0.7
166.08638	8.6
172.03903	1.2
174.05586	0.6
193.33580	0.5
194.08179	1.0
197.10706	0.9
204.06578	2.0
211.08736	0.6
212.09367	0.7
213.10262	0.6
223.08875	0.7
223.12224	0.7
224.09445	0.8
225.10284	2.2
227.11812	1.7
233.10655	0.8
235.08813	0.9
235.12630	0.5
237.10237	4.2
238.10956	1.3
239.08212	0.9
239.11850	2.4
248.09392	1.1
249.10254	3.8
250.11009	1.0
251.08165	1.9
251.11815	4.1
252.08879	0.8
252.12531	0.9
253.09676	3.0
253.13513	0.6
254.10611	1.0
255.11328	0.7
261.10284	2.0
262.10895	0.7
263.11905	2.8
264.08963	0.8
265.09772	6.9
265.12714	0.8
265.13181	0.7
266.10526	2.1
267.11288	4.3
267.16000	0.8
269.09198	0.6
269.12924	1.6
271.10800	2.2
273.12384	0.6
277.09836	2.6
278.07733	0.6
278.10550	3.3
279.07678	3.7
279.11313	7.7
280.12036	2.7
281.09265	2.0
281.12872	1.6
282.09924	1.1
282.13367	0.6
283.10812	5.5
284.11478	0.6
285.12384	1.3
286.17203	0.6
287.13950	2.2
289.09735	4.6
291.11298	2.3
293.09229	1.9
293.12936	3.8
294.10004	4.6
294.13333	1.0
295.10690	3.4
296.11554	2.4
297.12338	1.4
299.10278	1.3
306.09811	1.3
306.53314	0.6
307.10724	2.2
308.11496	1.0
309.12308	2.5
310.12988	0.6
311.10312	6.6
311.13962	2.1
312.11032	2.1
313.11865	2.7
314.12704	2.0
315.13501	0.7
317.09293	0.6
321.12381	1.2
323.10190	1.3
323.13940	2.2
324.11130	1.9
325.11743	3.3
326.12677	3.8
327.13382	7.0
335.10275	8.5
336.10782	0.8
337.11844	0.7
339.13388	52.0
340.10416	2.0
340.13901	1.8
342.15985	0.6
343.13129	0.7
352.10602	1.4
353.11224	1.2
354.12039	5.2
355.12875	15.1
355.16901	1.2
356.13379	1.2
367.12897	32.8
368.13339	0.8
383.12848	0.6
387.15442	1.1
398.14951	1.3
399.15463	1.5
413.17825	2.1
420.19409	0.7
447.17975	0.9
451.21280	0.7
452.21320	0.6
458.17297	1.6
460.18677	1.8
460.27713	2.6
461.28897	0.7
477.28738	0.7
478.28784	1.4
479.20523	3.4
480.21021	1.1
488.18091	6.1
490.20020	0.8
492.21320	4.8
520.20782	100.0
521.20972	6.5
538.21582	2.7
552.23413	50.6
553.23651	4.8
585.28851	7.5
611.25000	6.2
675.30212	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	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01876	2.7
55.05510	14.2
55.92833	0.9
57.03440	13.8
57.07086	1.6
61.02927	3.4
65.03929	2.1
67.05505	40.8
69.03436	2.8
69.07068	16.5
69.94186	2.1
71.05002	4.6
71.63420	0.9
73.02934	1.6
77.03934	1.7
79.05492	36.1
81.03417	44.8
81.07057	55.9
82.07404	0.8
83.04990	13.2
83.08618	23.9
85.02902	18.7
85.06543	2.2
91.03944	1.5
91.05478	28.6
93.07047	40.1
95.04971	20.6
95.08601	14.7
97.02882	3.9
97.06525	8.2
97.10191	2.6
97.59072	0.9
99.08113	2.4
102.10560	0.8
105.04513	1.7
105.07024	18.3
105.21418	0.9
107.04929	5.6
107.08594	21.2
109.06516	3.3
109.10178	3.2
111.04442	1.3
111.08079	11.4
113.06039	1.1
115.05448	1.2
117.07024	5.4
119.04967	1.2
119.08575	12.9
121.06470	2.0
121.10143	18.0
123.08051	2.0
123.11716	2.7
125.09645	1.1
129.06996	7.2
131.08575	12.1
133.06497	2.0
133.10141	13.4
135.08020	1.8
135.11702	4.4
137.09587	1.5
139.07326	0.8
139.11206	1.4
142.07803	1.6
145.10158	1.9
147.08057	1.4
147.11702	12.4
149.09604	5.8
149.13252	17.3
151.11137	1.1
154.05568	0.8
157.10132	10.6
159.11688	5.9
165.12784	2.9
175.11205	11.1
177.12743	2.5
183.11458	0.8
193.12233	28.5
195.13792	7.5
211.13281	38.4
212.13664	1.1
267.15924	25.7
269.17468	76.1
270.17862	1.7
285.16953	31.8
286.17273	1.6
334.19934	1.0
369.24399	1.0
443.28189	0.9
461.28958	57.9
462.29504	2.6
476.99429	0.9
479.30035	100.0
480.30396	4.5
623.34406	1.2
703.43286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01877	2.2
55.05518	12.9
57.03442	12.4
57.07084	1.2
61.02922	3.1
63.35712	0.8
67.05511	37.8
69.03426	3.6
69.07072	11.6
69.50018	0.8
69.53835	1.7
71.04988	4.2
73.02923	1.5
79.05501	27.3
81.03425	41.5
81.07063	50.8
83.04990	12.1
83.08623	21.8
85.02911	19.0
85.06549	2.0
87.04481	1.0
91.03974	1.7
91.05489	28.1
93.07052	33.3
95.04412	1.7
95.04974	18.9
95.08606	11.6
97.02879	4.0
97.06538	7.8
97.10181	2.3
98.22718	1.0
98.23286	2.5
99.08082	1.9
105.04530	1.1
105.07047	15.4
107.04953	4.2
107.08597	19.4
109.06506	3.3
109.10152	1.5
111.08076	9.7
113.05981	2.0
114.91536	1.0
117.07011	4.4
119.08593	11.2
121.06519	1.7
121.10142	11.6
123.08096	1.7
123.11697	3.6
125.09623	1.5
129.07037	6.3
131.08574	10.4
133.06511	1.7
133.10150	15.1
135.08098	1.0
135.11674	4.9
142.07732	1.3
145.10098	1.2
147.08061	1.4
147.11682	9.7
149.09630	4.1
149.13261	9.5
150.08717	1.1
151.11201	2.1
157.10132	9.2
159.11668	4.0
163.11240	1.3
165.12773	2.4
175.11198	12.6
177.12784	3.2
193.12250	28.6
195.13850	8.1
211.13289	34.0
212.44965	0.9
251.16489	1.1
267.15952	15.6
269.17496	43.0
270.17880	1.1
285.16986	37.8
286.17493	1.3
286.48413	0.9
443.27753	2.4
461.29004	27.9
462.29474	1.8
470.15344	1.2
479.30069	100.0
480.30609	5.3
484.16714	1.2
497.18399	1.3
498.18213	5.2
499.18414	1.7
644.24213	1.2
645.24567	1.3
658.25891	1.6
676.26831	16.2
677.26410	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	676.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03143	0.5
53.03939	1.4
55.01872	2.3
55.05512	8.3
57.03442	3.5
57.07077	0.6
59.25143	0.6
61.02921	3.4
65.03939	1.0
67.05505	21.2
67.05865	1.1
69.03416	1.7
69.07063	7.1
69.87543	0.9
69.87872	1.0
71.05002	2.9
73.02908	1.4
79.05490	16.5
81.03411	5.8
81.07054	32.4
83.04977	3.4
83.08627	5.6
85.02912	3.8
85.03325	0.7
85.06537	2.4
91.03954	1.2
91.05479	19.2
93.07043	16.1
93.07604	1.2
95.04967	6.3
95.08601	13.0
97.02888	1.9
97.06522	3.8
97.10164	3.2
99.04410	0.6
99.08089	1.1
105.04492	1.1
105.07023	17.8
107.04922	3.4
107.08582	11.2
109.02845	0.6
109.06520	2.5
109.10139	4.0
110.10480	0.5
111.04463	0.7
111.08104	1.8
111.67936	0.5
115.03925	0.6
115.05463	1.1
117.07016	4.7
117.84842	0.6
119.08579	13.7
121.06488	2.8
121.10145	8.8
123.08099	1.9
123.11684	5.8
125.09634	2.7
127.03952	0.5
127.07574	1.1
128.06224	1.1
129.06998	5.3
131.08559	8.1
131.19740	0.5
133.06482	2.9
133.10129	7.6
134.50047	0.6
135.08083	1.6
135.11699	1.9
137.09657	1.3
137.13228	0.8
141.06949	1.5
142.07788	0.9
143.08559	4.6
145.06496	1.9
145.10130	4.7
147.08069	3.2
147.11685	14.5
149.09641	2.4
149.13264	2.6
151.11212	1.3
155.08559	2.0
157.06487	0.7
157.10114	3.7
159.08067	1.3
159.11731	2.3
161.09604	1.1
161.13338	0.7
163.11301	0.8
165.12752	4.9
167.08589	1.1
169.10101	2.6
171.08096	1.5
171.11723	2.2
173.04451	1.4
173.09549	1.3
173.13269	1.5
175.11191	2.0
175.14854	0.9
177.12769	0.6
181.10081	0.7
183.11693	1.8
183.13652	0.6
184.07378	1.1
185.09572	0.6
185.13289	1.8
187.11143	0.7
189.11220	1.5
189.12767	0.9
193.10176	1.0
193.12273	2.6
195.11694	1.3
195.14142	0.7
197.09706	0.5
197.13229	1.3
199.14848	1.0
201.12747	0.7
209.13287	0.9
211.11472	0.6
211.13286	1.3
213.12749	0.9
215.14343	0.8
217.12363	0.6
217.15930	1.2
219.13780	0.6
227.12675	1.0
231.13666	0.6
239.14273	0.9
267.15906	9.3
269.17532	3.1
285.16959	1.3
323.23911	1.2
341.24661	3.4
351.23257	3.6
359.25946	1.8
369.24319	6.9
387.25256	6.4
405.26425	1.3
415.28708	1.1
425.26724	0.9
433.29578	3.8
443.27872	11.4
461.28946	100.0
462.29230	4.8
467.28183	0.8
479.30048	21.7
480.30487	0.7
485.29105	2.6
503.29825	3.4
527.30078	0.7
569.31122	0.8
587.31860	1.4
605.32892	1.8
623.34259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79293	0.6
51.46230	0.8
53.03943	0.8
55.01870	2.1
55.05520	7.0
57.03439	2.9
60.08160	0.9
61.02921	3.4
65.03915	0.8
67.05511	23.1
69.03432	2.2
69.07074	7.7
71.04997	2.4
76.40239	0.9
79.05494	15.2
80.05843	0.9
81.03426	5.0
81.07063	32.1
83.04987	5.4
83.08623	6.7
85.02901	3.5
85.06539	2.6
86.09718	1.0
91.03962	1.2
91.05492	17.7
93.07049	15.3
95.04986	6.0
95.08613	12.2
96.59269	0.8
97.02889	2.6
97.06528	2.4
97.10178	3.8
99.08099	1.4
103.05475	1.0
105.07047	14.3
107.04942	2.7
107.08599	11.6
109.06525	3.3
109.10171	4.0
111.04521	0.7
111.08087	1.9
111.50943	0.7
117.07023	4.1
119.08592	12.0
121.06516	2.9
121.10158	8.5
123.08082	1.9
123.11697	6.8
125.09637	2.2
129.07024	4.9
131.08595	7.9
133.06488	1.8
133.10153	7.2
135.08035	2.0
135.11716	2.9
137.05991	0.8
137.09596	1.4
140.42531	0.8
141.06958	1.8
143.08559	3.1
145.06471	1.7
145.10123	3.8
147.08051	1.4
147.11691	17.3
149.09660	2.2
149.13248	2.5
151.11197	1.7
155.08565	2.1
157.10155	4.9
158.21622	0.9
159.08046	1.1
159.11768	2.3
161.09616	1.1
163.11203	1.3
165.12791	3.5
169.10110	2.3
171.08128	0.9
171.11678	2.9
173.04518	0.9
173.13283	1.3
175.11217	2.6
179.97148	0.8
181.10132	1.5
183.11670	1.7
184.07365	1.9
185.13275	1.0
189.12866	0.8
193.12285	2.9
195.11760	1.1
195.13887	1.3
199.14815	2.3
201.12837	1.4
211.13249	2.2
217.16014	0.9
219.13882	1.1
233.15424	0.9
267.15894	10.1
269.17572	3.3
285.16946	1.9
306.88989	0.8
323.23581	1.2
333.22229	1.3
341.24756	2.1
351.23206	2.9
359.25742	2.0
369.24347	6.6
387.25278	6.8
405.26141	1.6
433.29535	3.0
443.27979	11.5
444.28934	1.2
461.29010	100.0
462.29355	4.9
479.30136	24.1
485.28751	2.4
503.30023	3.6
521.21149	0.9
527.29407	1.0
569.30908	1.1
587.31689	2.1
605.33038	1.5
630.73083	0.9
676.34729	2.9
677.31342	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	677.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
57.03433	1.6
61.02922	4.1
62.66288	0.4
63.23589	0.4
67.05502	6.4
69.03439	2.5
69.07076	1.7
69.63358	1.5
69.88467	0.4
71.05004	0.7
73.02917	2.2
73.46873	0.4
79.05490	4.9
81.03411	2.6
81.07054	7.7
82.07417	0.4
83.04978	0.9
83.08640	1.3
85.02903	4.9
85.06554	0.5
91.03953	2.9
91.05475	4.4
92.05859	0.5
93.07045	5.4
95.04972	1.4
95.08604	2.8
97.02902	3.7
97.06528	0.9
97.10187	0.6
98.22694	0.5
99.04472	0.6
101.02402	1.1
105.07057	2.2
106.96273	0.4
107.04939	0.6
107.08584	3.3
109.02892	0.7
109.06558	0.5
109.10175	1.3
109.76900	0.4
113.88685	0.4
117.06992	0.6
119.08612	1.8
121.10188	1.2
123.11747	0.9
127.03906	0.7
129.07027	1.1
131.08580	1.1
133.10159	2.0
135.11719	1.4
143.08656	0.5
145.10139	0.8
147.11728	1.5
149.13274	1.5
159.11725	1.3
171.11832	0.7
195.13817	1.0
235.13083	1.1
243.08440	2.7
247.13181	1.0
261.22043	0.9
269.17572	1.0
434.68671	0.5
445.18744	2.0
448.28064	0.5
453.20959	7.6
463.30563	0.7
465.20999	6.1
471.16550	0.9
479.29718	0.8
480.30487	0.7
541.21191	1.2
554.91071	0.4
573.23407	0.8
617.22461	7.1
618.22351	1.3
645.21954	4.9
646.22119	0.7
677.35028	100.0
678.35291	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05503	2.2
57.03439	1.7
61.02926	4.1
67.05498	5.8
69.03424	2.6
69.07077	1.4
70.06586	0.7
71.05001	0.7
71.09211	0.6
72.17733	0.8
73.02917	2.5
79.05482	4.7
81.03424	1.9
81.07056	5.7
81.39746	0.6
83.04991	1.0
83.08625	1.9
85.02900	3.1
87.04494	0.5
91.03964	2.5
91.05488	4.3
93.07050	5.6
95.04964	1.7
95.08612	2.6
97.02900	3.4
99.04475	0.7
101.02392	0.9
105.07052	2.3
107.08610	2.3
108.18694	0.6
109.06548	0.6
109.10118	0.8
111.08070	0.5
117.07026	1.4
119.08587	1.3
121.06584	0.5
121.10157	1.0
127.03917	1.2
129.07054	0.7
129.84605	0.5
131.08577	0.9
133.10156	2.6
135.11714	0.8
147.11723	2.0
149.13278	1.4
159.11758	1.0
161.09682	0.7
164.68347	0.5
171.11725	1.2
185.30356	0.6
193.04929	0.8
195.13824	0.7
219.28499	0.6
235.13036	1.0
243.08516	2.0
247.13103	1.6
256.26508	2.4
269.17413	1.3
291.15634	0.6
323.31915	0.5
453.20950	8.3
465.21039	7.8
474.58041	0.6
506.57370	0.7
557.76904	0.6
677.35016	100.0
678.35199	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22148	0.3
51.35509	0.3
53.03955	0.6
55.05518	0.9
57.03431	1.1
61.02924	3.8
61.99372	0.3
67.05505	4.8
69.03429	1.9
69.07065	1.3
69.36243	0.6
69.36655	1.3
71.62687	0.3
73.02914	2.0
79.05495	4.6
81.03416	1.7
81.07064	5.2
83.05002	0.8
83.08618	0.7
85.02904	3.7
85.06538	0.5
91.03952	2.4
91.05479	3.2
93.07043	4.5
95.04992	1.1
95.08601	2.0
97.02907	2.5
97.06531	0.9
99.04458	0.7
101.02395	1.2
105.07024	2.2
107.08602	2.1
109.02867	0.5
109.06512	0.5
109.10131	0.7
111.08128	0.5
113.09644	0.4
115.03945	0.4
117.07037	0.9
119.08601	1.1
121.10186	1.2
123.08122	0.4
127.03942	1.0
129.07033	1.0
131.08585	0.5
133.10139	0.8
135.11719	0.5
143.08643	0.4
145.10136	0.6
147.11684	1.5
149.13228	1.8
159.11742	0.9
161.13342	0.3
171.11731	0.9
177.12836	0.6
185.04291	0.8
195.13661	0.5
235.13033	0.7
243.08417	2.1
247.13159	1.3
269.17624	0.8
281.17838	0.4
288.52701	0.3
303.15671	0.4
323.40796	0.3
453.20966	8.0
454.21521	0.4
463.30435	0.4
465.20932	7.7
558.33313	0.3
677.35065	100.0
678.35376	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	678.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01863	7.9
55.03561	0.8
55.05508	2.3
57.03433	2.3
57.07081	0.8
64.55472	0.8
67.05504	4.2
69.03426	8.9
69.07070	8.3
70.72576	1.0
71.04993	5.6
77.03949	0.8
79.05496	8.8
81.03419	21.1
81.07053	17.6
83.04984	4.0
85.02905	5.1
85.06529	4.9
88.86012	0.8
91.05476	5.1
93.07044	26.0
95.04964	4.4
95.08611	11.2
97.02910	4.0
97.06532	8.7
99.04456	10.7
105.07031	19.3
107.04960	1.6
107.08595	39.5
108.08907	1.1
109.02876	29.6
109.06511	10.5
109.10161	1.8
111.04435	2.4
111.08085	4.8
111.11758	1.3
113.05998	4.0
117.07013	2.3
119.08580	7.0
121.06501	10.7
121.10148	23.1
123.08069	7.7
125.02352	1.3
125.05994	1.5
127.03915	15.5
127.07562	1.7
129.05522	0.9
130.07825	1.0
131.08577	2.2
133.10214	0.9
135.08063	3.5
135.11684	10.2
137.09634	1.5
139.07558	2.0
139.11205	2.6
143.07024	1.0
143.08545	0.9
145.10124	23.5
147.08018	1.2
147.11688	4.6
149.06079	1.4
149.09625	10.7
151.07541	8.7
153.12717	0.9
157.08612	1.2
163.07526	1.9
163.11177	65.1
165.09106	1.0
165.12701	1.0
167.10677	17.1
169.08606	67.4
171.08000	0.9
173.09634	5.5
175.07591	0.8
181.12216	13.1
185.11763	3.5
187.88417	0.7
189.09065	1.1
191.10670	24.4
194.93697	0.7
195.10265	0.9
201.09032	0.9
201.12862	0.9
207.10156	1.0
209.11722	41.5
227.12775	100.0
228.13095	2.0
245.13780	1.8
253.12274	1.1
255.12161	2.0
269.13837	3.4
271.13284	3.4
289.14368	7.0
293.13803	1.4
299.12866	1.1
307.15323	1.8
311.14789	0.8
317.13843	3.4
335.14914	11.8
353.15939	76.5
354.16156	2.6
371.17020	22.0
389.17877	5.3
477.76804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99417	0.6
53.03951	0.8
55.01866	1.0
55.05515	10.1
57.03438	7.5
57.07069	1.5
59.88205	0.6
60.08141	1.1
60.45086	0.6
61.02922	2.8
61.99697	0.6
65.03934	1.6
67.05506	47.1
68.38425	0.6
69.03426	1.1
69.07072	10.1
71.04991	4.9
71.07378	1.0
73.02915	1.7
79.05492	20.6
79.28120	0.6
81.03414	2.2
81.07059	69.3
82.07406	1.4
83.04983	3.7
83.08617	9.1
85.02905	3.6
85.06544	7.5
86.09704	5.6
89.74284	0.5
91.03957	1.1
91.05483	13.5
93.07047	35.1
94.07334	0.7
95.04987	4.5
95.08613	9.9
97.02898	1.7
97.06542	7.7
97.10134	1.5
99.08099	2.4
105.04496	0.8
105.07055	4.9
107.04898	0.8
107.08598	20.0
109.06514	2.0
109.09530	0.7
109.10136	3.7
111.08086	4.5
111.11732	0.7
113.06007	1.1
117.07018	6.8
117.81463	0.6
119.08579	1.5
121.06471	1.3
121.10138	10.7
123.11729	6.7
125.00002	3.7
131.08583	7.8
131.09488	1.0
133.10129	10.6
135.08093	1.4
135.11693	7.2
139.11211	1.4
147.11693	1.0
149.13257	20.5
150.13583	0.8
151.11203	2.6
157.10141	0.6
159.11694	11.6
169.12244	1.4
177.12726	4.1
184.07341	20.4
187.13278	4.8
193.12277	1.1
195.13884	6.7
213.14896	2.2
243.15948	7.6
267.16107	1.0
269.17477	30.6
270.17877	1.1
272.24023	0.7
281.40216	0.6
287.18536	12.8
288.18906	1.0
343.63568	0.6
383.37256	0.7
417.30457	0.7
423.27377	0.9
435.31149	1.1
437.29001	100.0
438.29208	4.4
445.29501	2.8
449.29099	2.1
453.20950	1.2
463.30545	42.0
464.30835	2.1
467.18823	1.1
480.30893	0.9
481.31610	27.1
482.32117	1.6
607.34576	1.4
625.35352	1.0
678.27893	2.6
678.39655	1.2
679.33002	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	678.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03947	1.1
55.01873	1.6
55.05515	7.9
56.02684	0.6
57.03442	8.7
57.07072	1.4
57.32447	0.6
59.04992	0.8
60.08149	0.8
61.02937	4.6
65.03930	1.8
67.05512	62.7
68.05855	0.7
69.03436	2.1
69.07077	11.3
69.72388	0.7
69.72733	1.8
70.24220	0.8
71.01360	1.6
71.04999	16.6
73.02903	1.8
79.05501	26.4
80.05873	0.7
81.03436	4.3
81.07064	57.6
82.07372	0.8
83.04997	5.8
83.08630	9.6
85.02917	4.6
85.06550	6.1
86.09703	2.4
91.03967	1.4
91.05486	18.1
93.07054	40.3
95.04977	4.2
95.08624	12.8
97.02890	2.6
97.06547	8.9
97.10191	4.3
98.23176	1.9
99.04471	0.7
99.08104	1.9
105.04510	1.6
105.07039	7.0
107.04981	0.8
107.08604	26.1
108.08913	0.7
109.06545	1.8
109.09415	1.3
109.10170	22.5
111.08107	5.1
113.06021	1.0
117.07024	5.5
119.08597	5.9
121.06552	1.0
121.10154	10.2
123.08054	0.6
123.11718	6.6
124.99989	1.1
125.09639	1.2
127.03928	1.4
131.08560	4.4
133.10146	9.2
135.08084	1.0
135.11708	23.0
135.98579	0.5
137.09627	2.5
139.11163	1.0
145.10135	4.0
147.11703	1.3
149.13272	12.2
151.11206	2.4
153.12845	1.2
155.10664	0.8
159.11707	5.7
163.11197	2.5
169.12267	1.3
173.11757	2.2
177.12819	2.4
181.12285	3.7
183.13818	0.7
184.07387	5.8
187.13333	1.7
189.89827	0.6
190.86440	0.5
195.13791	5.2
213.14819	0.8
243.08302	0.7
243.15913	0.8
255.15923	9.8
267.16144	0.9
269.17514	15.3
282.97519	0.6
287.18539	3.7
301.20135	3.1
331.53799	0.5
377.27127	0.7
405.26495	0.6
423.27426	45.5
424.27798	2.3
431.27652	0.7
437.28903	6.2
449.29037	100.0
450.29318	4.6
453.20776	0.9
463.30655	14.3
467.18738	1.1
469.20483	0.9
481.31659	38.2
482.31805	1.6
516.34052	1.3
625.35571	1.2
678.35760	1.3
679.33081	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	679.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43348	0.3
69.23565	0.9
69.23972	0.8
88.63549	0.3
94.93008	1.8
98.22702	0.6
98.97567	0.4
106.01755	0.3
114.75540	0.3
122.75915	0.3
136.94025	13.3
148.77068	0.3
148.94020	2.2
155.04318	0.3
166.95081	3.4
196.96146	1.2
206.98207	16.8
256.98260	1.4
379.16751	0.3
387.04538	100.0
388.04849	2.4
417.76517	0.3
429.18478	0.3
556.44409	0.4
679.15717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3307
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03954	0.4
55.01880	0.8
55.05518	1.0
57.03450	1.3
59.04978	0.3
61.02934	3.8
64.71883	0.3
67.05515	4.4
69.03426	1.6
69.07081	1.0
69.89480	0.3
70.66888	0.6
71.05002	0.7
71.07366	0.3
73.02930	2.8
79.05505	2.5
80.12897	0.3
81.03429	1.3
81.07067	5.4
83.05003	1.1
83.08638	1.3
85.02917	3.3
85.06532	0.3
86.09719	1.1
91.03949	2.0
91.05501	1.3
93.07056	4.5
95.05005	1.0
95.08631	1.1
97.02898	3.5
97.06554	0.5
99.04486	1.0
101.02391	1.5
105.07070	1.2
107.08599	2.1
108.98053	0.3
109.02908	0.9
109.10200	0.6
111.08085	0.4
115.03967	0.3
117.07034	1.2
119.08624	0.9
121.10149	1.6
125.00018	0.8
127.03954	1.4
131.08606	1.0
133.10188	1.0
135.11737	1.5
139.22565	0.3
145.10167	0.7
149.13213	1.9
159.11757	0.9
163.11172	1.7
184.07362	3.3
185.07729	0.6
195.13829	0.7
209.11690	0.5
235.13112	1.1
243.08385	1.8
249.11124	0.7
269.17432	0.8
269.52005	0.4
291.15555	0.5
450.29553	0.5
453.21017	6.8
463.30905	0.6
464.30948	0.7
467.18860	5.0
517.27832	0.5
679.33020	100.0
680.33563	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	679.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05510	1.4
57.03441	1.7
59.70463	0.4
61.02927	3.1
67.05508	4.9
68.05836	0.4
69.03420	2.3
69.07067	1.7
71.01344	0.5
71.04995	1.0
73.02910	2.5
78.64457	0.4
79.05487	3.5
81.03440	1.0
81.07059	8.6
81.07504	0.7
82.07387	0.7
83.04989	0.9
83.08633	2.0
85.02903	3.3
85.06568	0.5
86.09714	1.8
87.04456	0.6
91.03967	1.7
91.05467	2.6
93.07037	6.0
93.77158	0.4
95.05000	0.6
95.08604	2.4
97.02897	3.2
97.06554	1.3
98.30733	0.4
99.04496	0.9
101.02384	1.0
104.63245	0.4
105.07021	1.1
107.08601	3.2
109.02882	0.7
109.10149	0.6
111.08096	0.6
117.07032	1.0
119.08555	0.6
121.10144	2.1
123.11739	0.5
125.00003	1.1
127.03927	1.5
131.08575	0.8
133.10147	1.1
135.11655	2.1
145.10141	1.3
149.13237	2.6
159.11728	1.6
163.11169	2.8
177.12756	0.5
184.07356	5.0
185.07736	1.0
195.13811	1.3
219.10008	0.7
227.12900	1.8
235.13112	1.3
243.08366	2.6
249.10948	8.2
249.13458	0.4
269.17593	1.4
270.17935	0.6
305.13651	1.0
437.28928	0.7
438.29245	2.0
453.20963	11.6
454.21048	0.7
463.30270	0.5
464.30957	1.7
467.18872	6.5
482.31784	1.7
517.27686	0.8
679.32935	100.0
680.33301	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	679.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01866	0.7
55.05507	1.8
57.03439	1.5
57.18523	0.3
59.97621	0.3
61.02927	4.2
67.05504	4.4
68.05830	0.4
69.03429	2.7
69.07066	1.1
71.01369	0.7
71.04994	0.6
73.02917	3.0
79.05487	3.5
80.06298	0.3
81.03415	3.7
81.07063	5.6
83.01338	0.7
83.04992	0.8
83.08627	1.4
85.02901	5.5
85.06533	0.8
86.09708	0.6
87.04470	0.6
91.03947	3.3
91.05455	1.9
93.07048	4.6
95.04990	1.1
95.08618	1.3
97.02892	4.1
97.06527	0.7
97.10164	0.4
99.04456	0.9
101.02393	1.8
101.03014	0.3
105.07056	1.4
107.04990	0.5
107.08607	2.5
109.02913	0.5
109.06506	0.5
109.10177	0.7
111.08124	0.7
117.07026	0.9
119.08607	1.0
121.10163	1.2
123.08068	0.4
123.11723	0.5
125.00014	0.6
127.03940	1.1
129.07018	0.3
131.08569	1.3
133.10141	1.5
135.11699	1.6
145.04971	0.3
145.10158	0.8
149.13304	1.2
159.11736	0.7
163.11148	1.7
166.94426	0.3
175.05638	0.3
184.07297	2.7
185.04272	0.6
193.12325	1.1
195.13797	0.9
203.05420	0.6
206.41171	0.3
210.25336	0.4
210.63863	0.3
235.13054	0.8
243.08382	2.0
269.17520	1.1
270.18124	0.4
283.15390	0.6
343.09772	0.3
374.51736	0.3
424.27740	1.0
449.29504	0.4
450.29272	1.8
451.19733	1.2
453.20950	6.6
463.30606	0.6
464.31073	1.1
467.18906	5.6
469.20541	0.8
481.31497	0.4
482.32056	0.8
546.93811	0.3
679.32947	100.0
680.33350	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	679.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54089	0.4
53.03935	0.6
54.52673	0.4
55.01865	0.6
55.05519	1.0
57.03444	2.3
60.75832	0.4
61.02931	3.2
61.03188	0.7
67.05507	5.3
69.03436	1.5
69.07064	1.2
71.04997	0.9
73.02914	2.4
79.05489	4.1
81.03430	3.1
81.07050	4.8
83.04984	1.5
83.08619	1.8
85.02898	4.0
87.04490	0.5
91.03957	2.2
91.05475	3.1
93.07050	4.6
95.04967	1.5
95.08605	3.0
97.02923	2.5
97.06536	1.1
97.10242	0.4
98.22717	1.1
99.04452	0.6
99.08072	0.5
100.11292	0.6
101.02401	1.2
103.91572	0.4
105.07034	1.4
107.07999	0.4
107.08603	2.3
109.02892	0.7
109.06504	0.7
109.10146	1.2
111.08077	0.6
115.03882	0.4
117.07024	0.7
119.08571	1.6
121.10114	2.2
123.11697	0.8
127.03930	1.5
129.07001	0.5
131.08569	1.1
133.10152	1.4
135.11693	0.7
137.09619	0.7
143.08571	0.4
145.10126	0.8
147.08023	0.6
147.11737	0.7
149.09610	0.6
149.13231	1.5
155.21732	0.5
159.11745	1.0
163.11205	1.1
184.07364	1.1
193.08707	0.4
193.12173	0.5
209.16673	0.4
241.14380	1.8
243.08395	3.8
249.11000	0.6
267.15973	1.2
269.17545	1.1
283.15439	0.5
352.24234	0.5
407.24460	0.6
433.25793	2.2
439.19312	0.6
451.27026	0.6
453.20935	7.8
454.21588	0.6
464.27759	0.5
467.18936	4.6
481.27896	0.7
482.28256	1.0
516.33868	0.6
517.28180	0.8
605.28851	0.6
633.32520	0.6
679.32806	100.0
680.33221	7.5
705.14917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01872	1.0
55.05522	1.5
57.03442	3.4
61.02924	4.2
67.05502	5.5
69.03434	2.6
69.07072	1.3
71.01355	0.4
71.04993	0.6
73.02914	3.1
79.05494	4.0
81.03418	5.2
81.07054	5.7
81.07506	0.5
83.04955	1.6
83.08612	2.5
85.02911	4.8
85.06569	0.3
91.03951	2.8
91.05478	4.0
91.59050	0.3
92.05819	0.4
93.07049	5.2
95.04971	1.6
95.08605	1.9
97.02895	3.6
97.06551	1.0
97.83485	0.3
98.23480	1.0
99.04476	0.5
101.02399	0.9
105.07031	2.6
106.07404	0.3
107.04976	0.5
107.08579	3.0
108.08935	0.5
109.02866	0.8
109.06528	0.9
109.10168	2.0
110.10498	0.4
111.04484	0.4
111.08118	1.0
114.25576	0.3
117.07001	0.9
119.08601	1.4
120.08906	0.3
121.06519	0.5
121.10147	3.1
123.08116	0.4
123.11695	0.5
127.03935	0.9
129.07021	0.7
131.08604	1.4
133.10129	3.2
134.10495	0.7
135.08093	0.4
135.11740	1.1
137.09586	0.4
139.11217	0.7
145.04924	0.7
145.10156	0.9
147.08049	0.4
147.11688	0.4
149.09660	0.5
149.13281	1.3
151.11201	1.2
152.11516	0.4
153.12772	0.5
157.10091	0.4
159.11716	0.7
163.11220	1.0
184.07329	0.5
185.04239	0.8
193.12271	1.4
195.13840	0.5
203.05331	0.5
209.11810	0.5
211.13365	1.6
212.13791	0.4
235.13116	0.9
241.14349	4.1
243.08385	3.8
249.11031	0.6
253.14371	4.4
254.14642	3.7
267.15961	2.0
269.17511	1.1
271.15491	0.8
272.15903	0.8
283.15469	0.5
285.16983	0.8
286.17398	0.6
291.15707	0.4
303.25522	0.3
407.24347	0.9
433.25803	3.7
439.19730	0.8
446.26465	0.6
451.26837	0.4
453.20883	7.6
464.27518	0.9
467.18866	7.7
468.19110	0.4
471.87845	0.3
481.27902	0.8
482.28470	2.9
483.29053	0.4
517.28125	0.5
651.33344	0.4
669.64124	0.4
679.32916	100.0
680.33295	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	679.3308
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03946	0.6
55.01877	0.7
55.05519	1.5
57.03436	2.3
61.02928	3.1
67.05509	5.4
68.05827	0.4
69.03452	1.9
69.07073	1.7
70.39114	0.8
71.01329	0.5
71.05004	1.3
73.02920	2.1
79.05498	4.1
81.03430	6.9
81.07062	6.7
81.07505	0.6
83.04996	1.0
83.08629	1.9
85.02916	3.6
85.06539	0.7
91.03962	1.9
91.05489	2.9
93.07055	5.6
95.04971	1.8
95.08599	3.3
96.80064	0.3
97.02902	3.0
97.06544	1.2
98.22684	0.3
98.23250	0.7
99.04462	0.7
99.08121	0.3
100.11304	0.5
101.02391	1.4
105.07059	1.2
107.04978	0.7
107.08597	2.4
109.02929	0.4
109.06528	0.6
109.10172	0.6
111.08098	0.6
117.07030	1.0
119.08585	2.0
121.06496	0.6
121.10150	1.8
123.08114	0.7
123.11777	0.5
127.03930	0.9
131.08594	0.9
133.10138	1.4
135.08090	0.6
135.11687	1.8
137.09639	1.3
139.11244	0.3
145.10121	0.9
147.08047	0.5
149.13268	1.8
151.11244	0.4
159.11710	1.0
163.11230	1.3
165.09166	1.4
184.07382	1.1
185.04305	0.7
195.13824	0.5
227.12842	0.5
235.13104	0.5
239.12810	3.8
243.08444	2.8
249.11121	1.1
253.14493	0.8
263.34476	0.4
263.70300	0.3
269.17538	3.9
273.16907	0.4
283.15558	0.6
335.05182	0.4
380.47305	0.4
422.46085	0.3
424.24149	0.6
433.25919	8.1
449.25513	0.7
450.25778	1.1
453.21060	7.4
454.21893	0.5
455.66046	0.4
467.18854	5.3
482.28238	0.6
517.27612	0.6
649.70007	0.4
651.33752	0.4
679.32953	100.0
680.33380	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	679.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.0
57.03438	2.4
61.02922	5.5
65.03944	0.9
67.05518	4.7
69.03427	3.1
69.07071	2.0
71.04993	1.3
72.34708	0.8
73.02922	3.5
79.05488	3.5
81.03421	4.0
81.07066	6.6
83.04998	1.7
83.08621	2.4
85.02900	4.5
86.09728	1.3
91.03960	2.4
91.05492	3.0
92.38431	0.7
93.07058	4.8
94.06579	1.6
95.04975	1.4
95.08598	4.8
97.02893	5.3
97.06535	0.9
99.04491	1.1
100.11262	1.4
101.02329	0.9
105.07035	2.2
107.08609	3.0
109.06483	1.4
117.06958	1.1
119.08573	2.4
121.10125	1.8
125.00029	0.8
127.03911	1.3
129.07057	0.8
131.08542	1.1
133.10107	1.1
135.11691	1.9
143.95285	0.7
145.10207	1.2
146.09663	0.8
147.11656	0.9
149.13249	1.0
153.01877	0.8
157.10188	1.0
159.11667	1.2
163.11159	1.7
167.87869	0.7
172.11215	1.0
182.15440	0.9
184.07372	3.4
185.04144	1.1
193.12277	0.8
209.16486	0.8
210.14963	1.0
223.99345	0.7
243.08409	2.9
255.15947	1.5
267.09393	0.8
267.15952	1.3
269.17441	0.9
283.15469	1.5
423.81113	0.8
425.25171	2.0
447.27194	1.1
453.21094	7.6
454.21521	1.0
467.19226	4.1
474.32019	5.1
500.33307	1.6
516.34143	3.5
517.28082	1.4
517.35559	2.0
661.32019	1.0
662.38477	2.8
679.32574	100.0
679.41486	14.3
680.32587	7.2
680.41907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01875	13.0
55.05513	17.8
57.03443	22.8
57.07070	1.5
58.67514	1.2
61.02922	7.8
65.03948	3.0
67.05512	49.3
69.03433	8.2
69.07069	13.1
70.50360	2.0
71.01336	1.2
71.04996	4.4
73.02919	3.7
79.05047	1.6
79.05505	29.1
81.03427	75.7
81.07063	22.1
82.03760	1.2
82.04208	4.3
83.04987	11.3
83.08623	9.9
84.02106	1.3
85.02916	21.8
85.06548	1.7
86.09676	1.7
91.03973	2.5
91.05490	82.8
93.07054	38.6
95.04982	14.5
95.08027	1.8
95.08616	26.5
97.02890	9.4
97.06548	7.6
97.10178	13.5
98.07311	3.9
98.22967	2.3
99.08137	1.6
100.11247	3.0
105.04568	1.4
105.07037	13.3
106.41075	1.2
107.04993	7.8
107.08591	11.8
109.06519	4.7
109.10173	26.3
111.08102	5.5
115.05490	1.5
116.04697	8.2
117.07029	8.5
119.08595	100.0
120.05774	1.5
120.08898	1.4
121.06538	8.6
121.10162	9.8
123.04454	1.6
123.08064	9.3
125.09654	16.9
127.07639	2.1
129.05490	23.1
129.06967	6.9
131.08582	5.4
133.10138	4.6
135.08046	11.1
135.11682	3.0
137.09627	47.9
143.07054	6.7
145.10150	3.8
147.08070	12.5
147.11685	6.4
149.09654	3.0
153.09114	3.7
153.12726	1.7
155.10596	1.7
157.08607	8.9
157.10091	3.9
158.05675	1.6
163.07520	5.0
163.11217	6.5
165.09128	39.9
171.06573	2.5
171.10175	3.1
173.09578	2.3
173.11765	3.0
175.11188	4.3
181.08577	1.6
181.12286	2.1
183.10181	22.7
183.11693	2.0
184.07358	4.5
185.08115	2.3
189.11259	5.4
191.10693	3.2
193.12216	8.7
199.09708	1.9
199.13318	13.9
200.14052	1.5
209.11763	7.9
210.14801	2.4
211.13226	5.9
217.14375	1.5
219.10072	2.2
221.11731	1.5
221.66475	1.3
223.47989	1.4
227.12798	8.0
229.14395	6.1
237.10977	1.4
239.12793	24.0
250.32191	1.2
251.12526	1.4
255.12227	3.3
255.15974	3.3
257.13867	56.7
267.15948	8.1
273.17160	1.3
283.15466	9.1
285.16891	4.6
293.13818	1.7
301.16458	45.1
311.14761	1.6
351.57477	1.3
375.17200	1.2
380.13678	2.7
381.22516	3.7
393.22296	2.0
394.25430	1.5
399.23499	3.1
411.23761	11.2
425.24777	1.4
430.23077	1.3
431.24368	6.4
439.26697	3.6
447.23358	1.9
448.24615	2.3
449.25092	4.1
453.20639	1.5
465.24667	19.2
466.25366	3.0
483.25790	39.4
484.25897	1.8
533.63745	1.3
679.50806	3.5
680.32782	6.8
680.50787	2.6
681.34503	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	680.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01878	1.5
55.05510	4.8
56.41987	0.5
57.03180	0.8
57.03437	9.2
57.07076	1.1
57.42425	0.5
61.02917	1.6
65.03927	1.3
67.05504	23.1
69.03424	2.2
69.07065	7.9
71.01366	0.5
71.01814	0.5
71.04993	3.3
71.08650	0.5
73.02915	1.4
77.03926	0.5
79.05490	13.5
81.03416	65.1
81.07055	26.8
82.03770	0.8
82.07391	0.6
83.04981	4.5
83.08617	5.3
85.02896	3.0
85.06545	2.2
91.03962	0.9
91.05479	18.4
93.07045	22.5
95.04964	4.8
95.08601	9.4
97.02882	2.9
97.06512	3.9
97.10171	0.8
98.23525	1.1
99.04497	0.5
99.08101	1.5
102.17225	0.5
105.04499	0.5
105.07037	4.4
105.39071	0.5
107.04962	0.8
107.08591	12.1
108.77602	0.4
109.06504	1.7
109.10147	3.7
111.08090	2.8
113.06074	0.6
117.06996	3.3
119.08579	14.2
121.06503	4.6
121.10140	7.2
122.88852	0.6
123.08077	1.7
123.11706	1.3
129.07027	1.1
131.08568	4.1
133.10117	4.4
135.08066	1.3
135.11681	3.4
137.09608	14.3
139.11237	0.5
145.04993	0.9
147.08037	4.5
147.11687	1.3
147.15608	0.5
149.09624	1.1
149.13251	12.4
150.68575	0.5
157.10120	1.4
159.11676	4.8
160.85078	0.5
163.11246	0.9
165.09106	14.0
165.10405	0.8
175.11180	0.8
177.02534	0.5
177.12782	2.3
178.42531	0.4
183.10251	0.9
193.12262	1.8
195.13817	3.2
198.49126	0.6
211.13306	2.1
214.33116	0.5
224.09822	0.5
229.14351	0.6
239.12770	49.7
240.13162	0.9
241.14386	0.7
243.08369	0.6
243.16042	0.5
253.14365	1.6
267.15814	0.9
269.17468	28.3
270.17944	1.4
271.15305	1.1
301.16827	0.6
341.21005	0.9
351.76862	0.5
389.23544	1.1
407.24347	2.8
415.24939	0.8
425.25278	0.6
433.25839	100.0
434.26166	6.5
439.26898	1.7
451.26755	2.2
453.20999	1.9
454.21515	0.8
465.28571	2.8
467.18793	0.6
468.19366	0.8
469.20459	1.3
475.27115	1.4
483.29367	1.2
680.33307	26.1
681.34412	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	680.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.01858	1.4
55.05510	8.8
57.03439	34.4
61.02901	3.3
65.03897	1.3
67.05506	22.7
68.58995	0.7
69.03403	2.9
69.07066	7.1
69.74146	1.7
70.61819	0.6
71.01356	5.2
71.04997	4.5
73.02891	1.6
79.05492	29.0
80.05809	0.9
81.03419	47.8
81.07058	18.2
83.04989	8.6
83.08619	19.2
85.02920	4.1
85.06509	2.4
86.09669	1.0
91.03925	1.6
91.04942	1.2
91.05480	19.0
93.07046	40.6
95.04414	1.1
95.04970	15.0
95.08030	0.9
95.08607	14.8
97.02858	3.2
97.06512	2.7
97.10130	2.2
98.22739	0.9
99.08057	1.6
100.11266	0.9
105.04536	0.9
105.07029	11.0
107.04951	5.0
107.08609	8.6
109.06512	1.6
109.10166	4.2
111.04385	1.4
111.08092	3.5
115.05489	1.0
117.06985	2.3
119.08586	12.2
121.06487	2.7
121.10143	39.4
123.08047	3.0
123.11698	1.1
125.09634	2.0
129.06995	5.7
131.08560	9.4
133.06516	1.5
133.10161	5.0
135.08101	0.8
137.09657	4.1
139.11177	9.7
142.07697	1.2
145.06496	0.9
145.10126	1.1
147.08040	2.5
147.11664	4.7
149.09628	8.6
149.13255	1.7
157.10143	5.1
159.11623	1.2
159.67928	0.7
163.11163	1.4
165.09062	2.6
165.12724	1.1
167.10686	8.6
171.11598	0.8
173.09578	0.7
175.11209	4.7
184.07326	1.9
185.11697	0.8
193.12245	14.2
205.12231	0.8
211.13281	1.5
237.45184	0.7
239.12794	3.4
241.14340	100.0
242.14616	2.5
243.08444	1.1
257.13852	1.5
267.15912	47.3
268.16339	1.1
269.17401	2.7
285.16977	1.2
301.19965	1.2
323.20096	0.9
341.21149	3.7
389.23383	2.1
407.24261	13.7
415.24930	2.3
425.25357	6.7
433.25851	88.0
434.25873	4.4
439.26794	1.1
451.26932	8.9
454.21313	0.9
465.28439	2.5
468.19681	1.0
475.26920	1.6
483.29431	5.2
541.27991	1.0
559.29022	1.2
680.33221	33.8
680.51617	1.5
681.34332	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	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01869	4.1
55.05516	11.2
57.03215	1.5
57.03443	15.8
61.02924	5.3
61.35569	1.3
61.52642	1.6
62.54065	1.4
63.86421	1.3
65.03915	1.3
65.54512	1.2
67.05505	39.6
69.03423	5.5
69.07059	9.6
71.01354	1.7
71.04989	14.8
73.02929	2.7
79.05498	33.8
81.03418	52.8
81.07056	33.5
81.07428	0.9
83.04992	13.0
83.08616	16.6
85.02906	17.5
85.06535	3.2
86.09713	6.4
91.03945	1.6
91.05478	32.9
93.07046	31.0
95.04980	17.6
95.08606	100.0
97.02890	6.4
97.06528	5.7
97.10178	4.3
99.04464	1.8
99.08076	2.1
103.03979	1.9
105.04513	1.7
105.07030	15.9
107.04942	5.5
107.08591	12.2
109.02882	1.7
109.06514	3.9
109.10142	6.1
111.04432	2.3
111.08092	8.3
117.07037	2.3
119.08592	19.7
121.06513	2.7
121.10144	26.2
122.10456	1.5
123.08058	11.4
123.11692	2.0
125.00027	2.2
125.09591	2.0
129.07011	7.9
131.08553	14.1
133.10132	11.9
135.11685	2.7
137.09645	6.7
141.09103	6.2
142.07776	2.0
145.10150	2.9
145.90155	1.5
147.08066	5.1
147.11674	12.1
149.09634	9.7
151.11116	2.5
155.10715	2.1
156.04968	1.7
157.10095	9.5
159.10165	5.2
159.11522	1.6
163.11227	2.3
165.09125	2.8
165.12744	3.0
165.97899	1.3
167.10709	3.3
173.09732	1.8
175.11201	10.3
184.07344	18.3
189.11238	1.7
193.12247	27.4
197.11765	3.9
206.30757	1.5
211.13309	20.7
215.12785	1.8
229.14264	3.1
239.12794	4.5
240.43881	1.6
241.14339	17.3
255.15956	2.6
257.13803	3.0
267.15894	21.6
269.17569	3.8
273.16907	19.7
285.16986	15.6
314.78668	1.5
315.19647	3.0
341.20825	2.0
389.23154	4.2
407.24246	28.7
408.24316	2.3
415.24649	4.1
425.25330	62.6
426.25742	4.2
433.25821	54.5
434.26093	2.4
436.68188	1.6
439.26929	11.5
447.27429	4.6
451.26868	44.6
452.27277	2.8
453.21033	3.1
465.28583	8.3
469.20294	2.2
483.29544	44.2
484.29697	2.9
630.33954	2.4
680.31854	38.0
681.34491	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	680.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	46.4
57.03428	14.5
58.21453	4.8
67.05505	100.0
68.94310	4.5
69.07063	27.3
71.05000	9.8
71.08633	6.3
79.05494	66.3
81.07063	88.7
83.04996	8.2
83.08617	19.5
85.06574	6.8
91.05486	72.8
93.07047	90.8
95.04961	10.5
95.08610	57.1
97.06511	13.0
97.10166	8.7
99.08136	6.1
105.07030	61.8
107.04873	4.6
107.08592	50.5
109.06522	7.8
109.10152	27.3
111.08042	8.1
111.25976	4.4
117.07016	19.1
119.08574	43.3
121.10143	35.2
129.06995	13.8
131.08569	35.8
133.10115	44.7
135.08105	8.6
135.11661	28.3
137.33842	4.8
143.08537	8.3
145.10141	25.3
147.11708	21.9
149.13261	23.0
155.08510	5.2
157.10095	14.1
159.11693	22.4
161.13220	12.2
171.11661	15.5
173.13312	14.1
175.14859	6.7
177.12691	7.6
183.11668	6.9
184.07368	8.4
185.13283	9.6
187.11243	4.8
187.14886	5.9
189.16339	5.5
197.13425	11.0
199.14894	9.2
203.55077	4.7
241.19542	7.8
259.20502	28.0
269.17529	25.6
275.20053	11.3
283.99982	4.9
333.24265	20.9
335.25739	22.7
351.25595	5.1
368.33548	5.4
435.32675	10.4
489.35703	9.9
513.35754	8.2
517.40399	5.8
527.37170	39.8
529.38477	15.3
609.44360	12.6
627.45923	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	681.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85047	0.2
67.05512	0.4
69.07114	0.2
69.32401	1.1
76.34527	0.2
79.05491	0.3
81.07062	0.4
91.05477	0.3
93.07059	0.3
95.04990	0.3
98.23479	0.4
100.05763	0.2
105.07034	0.3
107.08555	0.3
109.10168	0.4
112.99107	0.4
119.08607	0.3
121.10124	0.3
131.00191	0.3
149.01234	0.3
222.60797	0.2
231.09047	0.2
251.09808	0.3
269.10626	1.2
287.11627	0.6
293.05692	0.3
311.11685	0.3
391.30444	0.2
446.83795	0.3
453.20554	0.3
469.18469	0.8
487.18607	1.5
523.08826	0.3
565.25421	0.2
681.32434	100.0
682.32880	6.9
682.44598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05511	0.4
93.07102	0.3
95.05000	0.4
98.23524	0.6
102.20738	0.3
104.15243	0.3
131.08629	0.3
148.93155	0.4
172.95316	0.4
269.10629	0.7
276.54263	0.3
277.46982	0.4
295.12097	0.5
306.49796	0.3
465.31171	0.4
469.18628	1.2
487.18573	0.8
681.32440	100.0
682.32678	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	681.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58463	0.5
63.76223	0.5
64.91373	0.5
65.81597	0.5
67.05520	1.2
81.07050	1.7
81.61367	0.5
85.02914	0.8
93.07068	0.7
95.04978	0.6
97.06512	0.5
105.07046	0.6
107.08657	0.5
109.10133	0.6
119.08580	1.0
256.26175	0.6
453.21130	0.9
469.19113	1.1
562.64996	0.6
565.35150	1.6
681.32507	100.0
682.32886	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	681.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05512	0.6
57.03441	1.7
61.02934	4.4
63.03276	0.2
67.05518	2.9
69.03423	2.5
69.07069	1.3
71.01341	0.3
71.04989	0.8
73.02921	3.1
79.05492	2.7
81.03420	3.0
81.07065	4.3
83.04986	1.0
83.08644	1.5
85.02905	5.0
85.06546	0.4
91.03963	2.6
91.05482	2.9
93.07035	3.0
95.04954	1.5
95.08620	0.9
97.02891	3.5
97.06528	0.6
99.04473	1.1
101.02364	1.4
102.32984	0.3
103.03916	0.5
105.07053	1.3
107.04977	0.4
107.08563	1.3
109.02896	0.9
109.10168	0.4
111.08094	0.6
117.07043	0.4
119.08612	1.0
121.10179	1.1
127.03921	1.5
129.07033	0.6
131.08612	0.9
133.10176	1.1
135.11752	0.6
147.11710	0.8
149.09619	0.5
149.13264	1.2
157.10167	1.0
175.11249	0.8
177.12804	0.3
178.53381	0.3
193.12241	1.4
195.13829	0.5
203.05434	0.4
211.13364	0.6
235.13170	1.3
243.08382	2.1
251.12675	0.5
269.17566	0.6
307.15356	0.3
310.37042	0.3
453.20938	6.5
469.20468	8.6
470.20801	0.5
519.28992	0.5
681.34570	100.0
682.34924	6.6
682.46399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
53.59882	0.2
55.05511	0.8
57.03444	1.4
57.44567	0.2
58.35167	0.2
61.02934	4.1
67.05163	0.4
67.05510	2.8
69.03426	2.1
69.07069	0.4
70.37280	0.4
71.05014	0.4
73.02922	2.6
79.05489	1.8
80.45026	0.2
81.03419	3.3
81.07067	3.3
82.07405	0.3
83.04996	0.8
83.08614	1.2
85.02914	4.7
85.06567	0.3
91.03964	2.2
91.05479	2.5
92.29104	0.3
93.07056	2.4
93.37491	0.2
95.04988	1.2
95.08607	0.8
96.59052	0.2
97.02897	2.9
97.06523	0.4
98.22910	0.4
99.04468	0.8
101.02398	1.2
103.03957	0.4
105.07037	0.9
107.08598	1.3
108.72457	0.3
109.02891	0.6
111.08101	0.5
115.03922	0.2
117.07065	0.5
119.08632	1.2
121.06604	0.2
121.10149	0.7
123.11753	0.4
127.03928	1.0
129.07028	0.7
131.08586	0.6
133.10170	1.5
147.08018	0.2
147.11691	0.5
149.13310	0.8
157.10146	0.7
159.11731	0.4
175.11241	0.6
185.04295	0.3
193.12245	1.3
195.13857	0.6
203.05302	0.4
211.13333	0.6
219.90504	0.3
235.13133	1.1
243.08443	1.9
251.12611	0.6
269.17587	0.5
296.16724	0.2
307.15195	0.5
349.74411	0.3
453.21002	5.6
469.20477	7.7
519.29779	0.4
681.34570	100.0
682.34784	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	681.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01866	0.8
55.05512	2.8
55.06602	0.5
57.03432	3.6
61.02922	5.2
66.22521	0.5
67.05505	8.8
67.63249	0.6
68.05843	0.7
69.03425	3.1
69.07066	2.1
70.30196	1.2
71.04993	2.7
72.98573	0.6
73.02911	3.1
74.82982	0.5
79.05486	7.1
81.03410	7.2
81.07049	7.7
82.07374	0.7
83.04983	2.3
83.08627	2.9
85.02905	5.9
85.06528	0.9
87.04475	0.6
91.03951	2.9
91.05464	6.2
93.07038	6.7
94.07375	0.7
95.04971	3.4
95.08598	11.3
96.08936	2.9
97.02892	3.5
97.06519	1.2
99.04425	0.6
101.02373	1.0
103.03868	0.6
105.07041	3.0
107.04951	0.9
107.08569	2.7
108.08939	0.6
109.06534	1.5
109.10172	1.3
111.08103	1.2
117.07044	1.5
119.08555	3.2
120.08946	0.8
121.10148	3.0
122.10495	1.1
123.08085	1.2
124.08304	0.6
127.03926	1.6
129.07011	0.9
131.08540	3.0
133.10172	1.8
135.11731	1.2
147.11725	1.5
148.12036	0.6
149.09607	1.4
149.13321	1.5
157.10176	1.2
159.10327	0.9
159.11708	1.4
161.09642	0.6
175.11188	1.5
184.07413	0.8
185.04216	1.1
187.07602	0.7
193.12222	3.0
194.12587	1.2
195.13855	0.8
211.13266	2.7
241.14339	2.2
242.14716	0.7
243.08511	2.2
251.12625	1.1
267.16043	2.0
268.16269	1.3
269.17630	0.9
273.17023	1.4
274.17151	1.1
286.17233	0.7
389.23221	0.7
407.23801	0.6
408.24902	2.1
425.25525	2.3
426.25641	4.3
433.25980	2.7
434.26089	4.0
440.27390	0.7
448.27637	0.7
451.26953	1.6
452.27173	3.9
453.20966	7.7
466.29022	0.8
469.20395	9.1
469.26459	0.9
483.29901	1.3
484.29968	3.8
518.35315	0.7
542.03461	0.6
681.34369	100.0
682.34961	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	682.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01630	0.3
51.02402	0.6
53.03979	0.4
55.01882	0.6
55.05521	0.7
65.03947	2.1
69.03453	1.1
71.01373	0.4
72.14561	0.3
76.24273	0.3
77.16054	0.3
79.01864	3.9
81.03429	1.9
83.05013	0.8
85.02914	0.3
93.03420	0.7
96.02129	0.6
97.02924	0.9
99.04498	0.4
101.35307	0.3
107.01340	0.8
109.02901	1.1
109.66467	0.2
111.04436	0.6
124.01584	0.3
125.02366	3.3
126.03123	0.3
127.03939	1.6
139.04036	0.4
143.03423	5.1
152.00993	0.3
153.01840	91.4
153.02905	4.3
154.02119	1.4
157.04973	8.7
163.03970	0.4
167.03406	100.0
168.03773	1.7
181.04967	0.9
191.03358	0.9
195.14594	0.3
195.71835	0.3
205.05103	0.4
209.04335	0.5
233.04416	0.5
237.03979	4.2
251.05585	0.3
261.03864	0.7
279.04904	1.0
297.06009	0.6
311.07635	2.1
371.89240	0.3
403.41110	0.3
463.08771	17.2
464.08847	0.7
481.09830	5.6
519.23865	0.4
520.24323	0.7
681.28314	0.6
682.29694	2.0
683.24609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	4.7
55.05512	27.2
57.03429	11.9
57.07068	5.3
59.28701	5.0
65.03932	3.9
67.05507	98.1
69.07066	21.7
71.08604	9.0
79.05492	82.5
81.03415	4.8
81.07058	100.0
83.04964	9.5
83.08611	18.3
87.89059	4.8
91.05485	51.7
93.07043	83.8
95.04959	18.8
95.08611	53.7
96.71565	4.4
97.10155	9.1
98.22533	8.3
99.40325	5.1
105.04488	6.8
105.07023	52.8
107.08585	41.2
109.06516	4.9
109.10166	22.0
111.08067	5.1
117.06998	15.1
118.64706	4.1
119.08551	26.9
121.10146	19.6
129.07002	9.7
131.08569	27.8
133.10159	21.1
135.11676	14.4
143.08560	10.9
145.10118	21.2
147.11656	6.7
149.13220	13.2
155.08557	5.9
157.10110	7.6
159.11665	18.1
161.13228	9.0
173.13239	7.9
185.13374	4.8
195.13652	5.2
201.18929	4.6
223.11502	4.4
243.20789	5.1
261.22113	10.2
269.17429	17.7
277.21646	5.9
335.25827	30.2
351.25235	6.7
437.33603	5.8
440.57654	4.8
455.35330	5.5
511.37860	5.0
515.36993	6.4
520.72803	4.9
529.38849	86.8
547.39722	5.5
611.46783	24.0
629.47485	8.3
683.44971	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	682.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
53.85043	4.7
55.01872	8.5
55.05506	30.1
57.03434	10.1
57.07072	12.3
65.03951	6.5
67.05502	95.7
69.07063	36.4
71.08640	10.4
79.05494	76.3
81.07059	100.0
81.07509	8.4
83.04968	5.8
83.08614	20.9
91.05482	62.4
93.07037	79.8
95.04989	13.7
95.08604	63.1
96.66125	5.8
97.06544	9.6
97.10201	6.0
99.08102	10.7
105.07047	45.2
107.08595	43.5
109.10169	18.8
110.66543	4.9
113.09672	7.3
117.07009	18.5
119.08569	38.6
121.10176	18.9
129.07069	9.1
131.08585	28.5
133.10167	18.4
133.89346	5.7
135.11743	14.0
143.08575	13.3
145.10129	17.2
147.11714	13.9
149.13255	10.1
151.11226	6.1
157.10165	10.3
159.11708	11.4
161.13225	7.0
163.14888	5.1
169.10153	7.7
175.14839	7.8
187.14795	7.6
199.14833	8.2
201.16412	6.8
213.16516	4.9
223.14780	6.0
243.20995	6.7
261.22177	10.5
269.17419	13.8
277.21826	7.5
287.87195	5.2
297.22318	5.3
335.25763	30.5
351.25327	7.4
369.05801	5.6
437.34055	6.1
511.37119	7.2
515.37390	8.5
529.38818	82.8
537.43115	5.7
611.46875	25.6
629.47607	11.6
661.34607	5.9
682.43408	15.0
683.44122	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	683.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	6.6
58.63069	0.4
70.09814	0.5
70.10169	1.0
80.46034	0.4
84.96029	1.6
98.23389	0.5
98.97581	68.3
110.97573	7.1
112.99137	0.8
116.66264	0.4
116.98618	15.2
124.99120	0.8
127.00669	0.5
128.98611	5.2
134.99690	2.4
140.98613	1.4
143.00180	3.1
144.98117	0.8
146.99649	1.1
151.00671	1.1
152.98631	2.1
155.00244	0.5
158.99635	6.8
161.01221	1.2
169.01746	5.0
170.99643	3.0
173.01175	0.6
177.00705	4.5
185.01250	0.7
187.02791	9.3
189.00711	1.3
197.01248	1.0
201.00674	4.7
201.02412	0.4
205.03908	3.3
211.02774	60.6
212.03168	1.2
219.01759	31.5
223.02876	0.4
229.03835	77.2
230.04221	1.0
237.02814	26.3
241.03813	1.1
245.03322	4.1
247.04944	5.5
252.05394	1.1
255.03935	1.0
261.02789	3.0
263.04388	4.0
271.01968	0.6
271.04892	11.1
279.03815	2.5
331.06979	37.6
332.07401	1.2
349.08044	55.7
350.08432	1.2
358.23199	0.5
372.09634	1.3
391.09106	100.0
392.09476	2.3
443.12228	1.4
444.48004	0.5
451.11984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.03428	1.0
61.02907	1.4
62.02374	0.4
67.05509	3.1
69.03422	1.0
69.07054	0.9
71.04987	0.7
71.45510	0.4
73.02906	0.8
79.05479	2.1
81.03407	2.0
81.07055	3.1
82.07384	0.7
83.04959	0.6
83.08616	0.6
85.02894	1.5
91.03929	0.7
91.05444	1.2
93.07017	1.8
95.04933	0.9
95.08605	1.5
97.02890	2.1
101.02370	0.5
105.07018	0.8
107.04910	0.5
107.08577	1.1
109.10165	0.9
117.06984	0.6
119.08603	0.7
121.10105	0.9
133.10071	0.5
135.11656	0.9
158.15759	0.5
166.72452	0.5
189.63936	0.5
195.13808	0.5
203.05188	0.7
229.14392	0.7
243.08315	0.7
243.15828	0.6
267.08896	1.3
267.15829	0.5
285.10028	0.5
293.21915	0.6
427.19626	0.7
453.21039	0.7
471.21085	0.8
473.16537	0.6
485.17047	1.1
529.49451	0.5
591.56879	0.5
639.33417	0.9
640.21277	0.7
665.33899	0.8
682.34387	1.4
683.30292	100.0
684.30481	6.7
687.48517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3611
Annotation	Lehualide K
Peak:m/z	Relative Intensity
52.33598	0.5
55.01879	0.7
55.05510	1.3
57.03443	1.4
61.02928	3.9
67.05503	5.1
69.03429	2.4
69.07056	0.9
71.04997	2.5
73.02931	2.5
79.05495	2.9
81.03427	1.8
81.07056	4.9
83.04992	0.7
83.08636	1.3
84.71651	0.7
85.02889	3.1
85.06529	0.9
91.03992	2.9
91.05510	2.5
93.07043	3.8
95.08635	1.8
97.02889	4.7
97.06543	2.3
101.02388	1.4
103.03939	0.7
105.07063	1.0
107.08612	3.8
109.02945	0.6
109.10165	1.5
111.08086	0.6
117.06968	0.7
119.08592	1.3
121.10214	0.8
127.03957	0.9
131.08563	0.8
133.10146	2.1
135.11626	2.8
137.09651	0.7
149.13316	1.1
185.04318	0.9
195.13890	1.3
243.08464	2.1
243.15732	0.6
267.15726	0.9
291.16068	0.9
305.03168	0.6
311.79657	0.6
429.09021	0.8
439.19403	3.4
453.21042	5.6
471.22079	3.0
471.98578	0.9
485.23495	3.8
582.84326	0.7
665.34961	1.6
683.36066	100.0
684.36346	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	683.3614
Annotation	Lehualide K
Peak:m/z	Relative Intensity
50.95275	0.3
53.03953	0.4
55.01873	0.4
55.05496	1.0
56.07344	0.4
57.03438	1.5
61.02929	4.0
67.05502	5.4
69.03419	2.3
69.07073	1.3
69.67745	0.3
71.04999	0.9
73.02914	2.6
79.05498	2.6
79.88570	0.4
81.03416	1.8
81.07059	6.6
81.07503	0.5
83.04963	0.5
83.08629	1.1
85.02907	4.5
85.06556	0.6
87.04518	0.3
91.03960	2.2
91.05487	1.4
91.97665	0.3
93.07039	3.8
95.04985	0.7
95.08627	1.8
97.02903	3.8
97.06549	1.0
99.04469	0.7
101.02392	1.5
105.07037	1.2
107.08585	2.4
108.44865	0.3
109.02936	1.0
109.10162	0.4
111.08073	0.8
115.03957	0.4
117.07038	0.5
120.92061	0.4
121.10171	1.8
121.12936	0.3
127.03931	1.1
131.08557	0.6
133.10132	1.0
135.11703	1.0
145.05013	0.7
149.13274	2.4
151.11191	0.7
152.98973	0.4
158.62456	0.3
159.11746	1.6
177.12741	0.7
185.04340	0.5
187.13367	1.1
195.13904	0.8
201.70859	0.4
203.05222	0.6
209.11546	0.6
235.13173	1.4
243.08380	1.9
243.15984	0.9
249.63304	0.3
253.14262	0.9
269.17694	0.7
291.15558	0.6
360.41367	0.5
386.13617	0.3
427.19385	9.3
428.19592	0.5
429.09756	0.4
453.20926	9.9
453.26849	0.6
454.21469	0.7
471.21964	3.5
477.27921	0.5
520.32550	0.5
521.33044	1.2
639.33307	7.1
683.36066	100.0
684.36456	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	683.4499
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05509	1.2
67.05514	1.6
69.07073	1.4
69.07810	3.5
70.23372	0.7
79.05499	2.3
81.07076	1.9
91.05507	2.4
93.07054	2.2
95.08604	1.3
105.07017	0.9
107.08585	0.9
110.10856	0.8
119.08599	0.9
133.10126	1.1
143.00647	0.9
157.09024	0.7
163.05135	0.8
184.07338	0.9
192.22141	0.7
196.91635	0.7
236.03526	0.7
324.27655	0.7
331.83353	0.8
333.20398	5.0
373.23270	1.1
389.22870	4.1
585.38190	0.9
651.24414	3.1
683.44971	100.0
684.45490	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.2
57.07063	1.6
59.04960	1.7
67.05514	9.1
67.05827	1.7
69.03426	7.0
69.07055	5.8
69.18576	10.4
71.04996	1.8
73.04753	4.8
74.75809	1.5
79.05489	5.3
81.03423	4.7
81.07052	14.6
81.57953	1.9
83.04972	2.2
83.08606	2.4
85.02888	8.4
91.05390	8.8
93.07065	9.9
95.04959	4.5
95.08604	28.3
95.75181	1.6
97.02883	4.1
97.06513	1.5
97.10117	2.1
105.07026	30.3
106.58196	1.9
107.08624	11.9
109.02853	2.9
109.06559	3.3
109.10175	8.7
117.07011	5.7
119.08581	39.5
121.10097	3.7
123.11681	1.9
127.03920	6.9
131.08563	61.8
133.06541	2.6
133.10112	29.3
135.08070	8.3
135.11716	2.0
137.09634	7.3
143.08563	3.3
144.09341	2.5
145.04951	1.8
145.06512	1.9
145.10117	38.7
147.11696	8.3
149.09657	3.4
152.28714	1.5
153.01804	3.6
155.08629	2.5
156.09344	14.0
157.10098	5.2
158.10878	3.5
159.08067	21.6
159.11690	17.4
161.13289	3.3
163.07574	2.7
167.05516	2.3
169.10204	1.9
171.11684	66.4
172.12274	2.0
173.09628	10.3
173.13255	42.8
175.11253	2.4
177.09113	21.0
182.10873	1.7
185.13275	2.5
187.11205	2.6
187.14815	60.4
189.12695	2.1
189.16373	2.5
191.10620	2.8
191.14212	2.3
197.13268	10.3
205.15862	5.6
215.14307	88.5
216.14548	2.4
225.04358	2.6
233.15361	100.0
239.09682	1.9
251.16457	2.4
345.41339	2.0
355.07022	2.5
359.02893	2.5
359.18768	1.9
377.19629	16.5
395.20551	6.5
429.08774	3.8
507.78763	1.8
684.39777	2.4
685.30469	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	684.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.7
53.03944	2.1
55.01872	1.5
55.05519	7.8
57.03441	1.9
61.02907	0.9
65.03932	1.3
67.05516	26.1
67.85372	0.5
69.07085	4.9
71.05000	1.5
73.04765	0.8
73.06563	1.0
77.03974	0.6
79.05505	38.6
81.03436	4.6
81.07065	20.2
83.04988	6.4
83.08641	3.2
85.02894	1.0
85.06564	1.1
91.05482	31.8
92.05812	0.6
93.07057	36.5
95.04975	13.3
95.08617	16.6
95.25784	0.5
96.05308	0.6
97.02937	0.9
97.06526	2.2
97.10175	2.1
103.05454	0.6
103.17633	0.5
105.04538	1.7
105.07045	23.2
106.41151	0.5
107.04984	3.4
107.08610	10.1
109.06522	3.4
109.10169	2.8
111.08099	0.9
115.05503	0.9
117.07030	4.6
119.08597	14.0
121.06554	1.6
121.10156	3.3
123.08078	3.9
125.09632	0.7
126.51991	0.6
127.07556	0.7
128.06238	1.6
129.07031	10.2
131.08611	2.4
131.20804	0.5
133.06541	0.6
133.10146	7.2
135.08072	0.8
135.11684	1.5
141.09081	0.6
143.08574	6.5
145.10139	6.2
147.08015	1.2
147.11702	23.0
151.11224	0.5
159.11678	0.9
161.09593	3.0
161.13286	7.0
163.11209	0.9
171.11702	16.4
189.12782	6.5
207.13832	19.4
225.04320	0.5
225.14873	1.0
227.47922	0.5
263.16357	1.2
268.97784	0.5
281.17511	44.7
282.17947	1.5
351.46811	0.5
359.03119	0.6
365.10461	0.5
429.08936	1.0
469.29532	2.7
487.30606	100.0
488.30759	4.8
543.36847	1.8
684.34534	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	684.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
54.95645	1.8
55.01879	1.7
55.05299	1.3
55.05521	10.7
55.05767	2.3
57.03439	13.6
57.07075	3.5
58.15323	1.6
58.16745	1.5
61.02947	2.1
65.03881	1.7
67.05509	47.5
69.03428	2.0
69.07079	11.5
69.79491	5.6
71.01348	2.0
71.04986	2.9
73.02940	1.4
73.04762	4.5
73.64528	1.4
79.05498	48.0
81.03416	3.6
81.07059	31.0
83.04982	7.1
83.08611	4.6
84.45493	1.5
85.02921	3.9
85.06560	3.3
91.05437	17.6
93.07054	49.2
95.04974	6.4
95.08614	18.3
97.06530	6.9
97.10149	6.8
99.08119	3.4
99.74065	1.4
103.70725	1.5
105.07043	11.8
107.08595	30.6
109.10145	10.4
111.08108	2.8
117.06999	6.6
119.08569	8.8
121.05836	1.4
121.10152	18.3
123.11669	3.5
131.08649	7.4
133.10147	5.7
135.11702	38.1
136.66400	2.0
141.64870	1.5
145.10149	10.4
147.11691	5.0
149.13286	5.4
150.39607	1.7
159.11716	5.2
163.11156	5.3
171.11690	2.0
173.13237	3.6
181.12253	7.1
199.13252	2.1
215.17970	11.8
225.04321	2.6
233.18958	13.7
233.41603	1.7
255.15947	57.9
256.16187	2.8
277.59579	1.6
307.22699	42.5
359.03119	1.8
374.95126	1.5
395.29517	2.3
429.08597	2.1
487.34225	100.0
488.34485	3.1
505.35101	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	685.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10402	0.3
51.36136	0.3
54.51458	0.3
59.13502	0.4
65.67103	0.4
67.05524	0.5
69.03403	0.4
69.07077	0.4
69.18540	2.8
77.06299	0.4
79.05521	0.6
81.03413	0.8
81.07066	0.8
83.27624	0.4
85.02927	0.5
91.05401	0.5
91.05882	0.5
95.08630	1.0
98.22887	1.8
99.99432	0.4
105.07025	0.4
107.08607	0.5
116.84353	0.4
119.08638	0.4
133.10176	0.5
239.05986	0.4
267.09387	0.6
287.68225	0.5
327.16275	0.5
433.60840	0.4
457.14987	0.8
485.17468	0.9
685.28326	100.0
686.28778	9.4
686.40295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62286	0.4
55.01869	2.1
55.05515	0.6
57.03427	2.5
61.02923	3.7
61.94244	0.5
62.50479	0.4
67.05497	1.6
69.03443	2.3
69.07058	1.3
70.58357	0.6
71.04974	0.6
71.08626	0.7
73.02917	3.5
73.04757	0.7
79.05489	1.7
81.03416	2.6
81.07039	1.7
83.04977	0.5
83.08609	0.7
85.02914	5.6
91.03947	3.6
91.05474	1.5
93.07044	1.4
95.04971	1.7
95.08611	1.0
97.02908	4.1
99.04443	1.1
99.08074	1.0
101.02383	0.9
105.07023	1.4
107.08592	1.2
107.45551	0.4
109.02858	1.4
109.10195	0.7
110.62818	0.4
111.04449	0.6
111.08089	0.6
119.08564	2.0
119.18076	0.4
121.10134	0.5
127.03921	2.6
129.00484	0.5
129.05490	5.2
129.06960	0.7
131.08540	0.7
133.10211	0.5
135.08017	0.6
135.11664	0.5
137.06018	0.6
145.04935	0.5
145.10162	0.5
147.11670	0.9
149.09610	0.6
157.04735	0.5
157.10188	0.8
173.11702	1.0
175.11263	0.6
181.04735	0.8
183.06401	0.6
185.04167	2.7
193.12273	1.2
201.03711	0.8
203.05229	0.7
211.13315	0.8
243.08374	2.3
251.12495	3.7
259.07968	0.6
261.00241	0.4
272.20337	0.4
273.10068	0.5
291.10980	0.5
291.15475	0.6
301.08835	2.9
307.15240	0.8
313.08875	1.6
315.10385	5.3
343.13666	0.6
355.13678	1.7
357.15210	10.7
363.17612	2.1
371.16632	1.0
373.11151	1.5
383.16992	0.9
383.24319	0.5
405.22498	4.4
413.17972	1.6
429.17429	1.3
443.18964	0.9
451.23154	2.5
469.20435	17.3
469.27271	0.8
470.20831	1.1
485.20151	1.7
487.30713	0.8
499.25781	2.5
539.27924	0.9
541.22491	28.9
542.22974	1.0
555.27197	1.3
567.43622	0.5
583.27161	6.1
584.27887	5.5
597.28833	0.6
613.28400	0.6
625.28461	0.6
639.29590	1.2
640.30725	0.7
667.29523	1.4
668.29572	0.8
685.30164	100.0
686.30597	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	685.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05508	1.1
57.03434	2.4
59.05003	0.5
61.02926	3.8
61.05996	0.3
61.96028	0.3
67.05498	2.4
69.03428	1.9
69.07056	0.5
71.01336	0.6
71.04974	1.4
73.02917	3.0
73.04755	0.4
76.65437	0.3
79.05495	2.8
81.03422	3.0
81.07063	2.3
83.04977	0.6
83.08616	1.6
85.02911	4.3
85.06535	0.4
87.04468	0.7
91.03959	1.4
91.05460	2.2
93.07050	3.7
95.04980	1.1
95.08618	1.2
97.02887	3.1
97.06538	0.3
98.23503	0.6
99.04446	0.7
101.02381	1.0
103.03930	0.5
105.07034	1.0
107.08595	1.0
109.02904	0.3
109.06472	0.4
109.10167	0.9
115.03916	0.4
119.08614	1.2
121.10135	3.3
127.03870	1.4
129.07005	0.5
131.08594	1.0
133.10176	0.8
137.09625	0.5
138.37872	0.3
139.11209	1.0
147.11693	0.7
149.09633	1.1
157.10161	0.4
167.10713	0.6
175.11211	0.4
185.04230	0.4
190.46051	0.3
193.12344	0.8
207.09908	0.6
229.14404	0.4
241.14438	0.7
243.08405	1.9
263.12497	0.4
267.15924	0.7
283.15189	3.7
339.18015	0.4
425.17816	12.3
426.18390	0.4
441.17419	0.5
453.20877	0.3
470.31064	0.3
485.24268	0.4
494.32578	0.4
501.23080	5.6
515.51819	0.3
516.48273	0.3
517.79797	0.3
523.28839	0.5
685.34027	100.0
686.34491	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	685.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08316	0.3
53.03952	0.6
55.05529	0.5
57.03436	1.5
59.05003	0.6
61.02929	2.9
63.24378	0.4
67.05507	4.0
69.03423	2.5
69.07070	0.5
70.41664	0.4
71.01384	0.3
71.04996	1.2
73.02917	2.4
79.05491	2.0
81.03422	6.4
81.07057	3.2
83.04994	0.7
83.08637	0.7
84.03158	0.3
85.02905	3.9
85.06560	0.3
87.04499	0.6
91.03951	2.0
91.05441	3.0
93.07034	3.9
93.07500	0.3
95.05000	0.9
95.08624	1.9
97.02884	3.5
97.06547	0.7
99.04471	0.6
101.02409	1.4
103.03960	0.5
105.07065	0.9
107.08627	1.3
109.02918	0.8
109.10150	1.7
111.08125	0.5
117.07030	0.4
119.08582	2.7
121.06511	0.7
121.10166	1.0
123.08094	0.4
127.03949	1.4
129.07091	0.4
131.08569	0.7
133.10127	0.6
135.11728	0.6
137.09583	1.9
147.08107	1.2
149.13303	1.1
159.11725	0.5
165.09108	2.0
177.12865	0.4
185.04132	0.4
225.04382	0.4
229.14436	0.5
235.13188	1.0
239.12941	1.0
243.08380	2.2
251.70351	0.4
255.12009	2.5
261.51660	0.4
291.15619	0.4
311.14761	0.8
331.02237	0.3
359.02863	0.4
360.03006	0.5
413.17984	0.5
430.09290	0.5
441.17258	0.3
453.20975	6.4
457.20557	0.6
469.20300	0.4
472.17215	0.4
473.19955	10.7
523.29321	0.6
587.45709	0.3
685.34167	100.0
686.34583	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	685.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69998	0.3
55.05517	0.5
57.03443	1.9
61.02935	4.2
62.90567	0.3
67.05511	2.1
69.03436	2.7
69.07072	1.0
71.01364	0.3
71.04996	2.4
73.02917	2.2
76.06148	0.3
79.05507	2.3
81.03432	3.1
81.07063	2.0
83.04984	0.8
83.08646	0.8
85.02918	4.9
91.03957	2.4
91.05412	1.5
93.07063	2.6
95.04996	1.2
95.08613	6.7
97.02900	3.2
97.03406	0.3
97.06558	0.5
99.04494	0.9
101.02381	1.4
105.07023	1.7
107.05001	0.5
107.08620	1.4
109.02930	0.5
109.10197	0.6
119.08642	1.0
121.10165	3.0
123.08126	1.7
123.08942	0.3
123.80546	0.3
123.81476	0.3
127.03941	1.1
129.07063	0.4
131.08597	1.0
133.10159	0.5
135.11781	0.3
141.09171	0.8
145.05055	0.3
149.09671	1.0
151.11078	0.3
155.10678	0.3
157.10188	0.5
159.10257	0.5
163.11276	0.3
165.09137	0.4
167.10710	0.6
185.04317	0.5
193.12344	0.6
203.05296	0.4
207.29866	0.3
211.13397	0.4
225.04514	0.3
229.14491	0.8
239.12660	1.2
243.08400	2.2
251.12659	1.3
267.15991	0.4
283.15350	0.4
295.15106	0.4
307.15518	0.3
347.90079	0.3
421.26160	0.3
425.12048	0.4
425.18018	1.4
439.19525	0.7
457.20496	8.0
458.21039	0.4
469.20438	4.4
516.97223	0.3
553.14178	0.3
624.74677	0.4
685.34119	100.0
686.34467	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
64.31923	0.8
67.05521	4.2
69.07064	0.9
72.13345	0.7
78.01942	0.8
79.05503	3.2
81.07060	5.0
91.05499	2.3
93.07051	4.4
94.83525	0.7
95.08625	2.5
105.07066	1.3
106.17504	0.8
110.17822	0.8
117.07048	1.0
119.08591	2.1
121.10120	0.8
135.11711	1.3
153.14133	0.8
159.11722	0.8
333.20432	2.4
335.22018	5.3
348.35855	0.9
391.24329	2.1
635.24811	1.0
653.25165	0.8
685.46454	100.0
686.26904	1.0
686.46759	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00044	0.6
53.03950	1.3
55.01871	1.0
55.05519	10.3
57.03444	13.7
57.07081	1.9
59.05007	2.6
60.18949	0.7
61.02932	3.9
65.03946	2.3
67.05510	100.0
69.03444	1.2
69.07078	8.0
71.05003	3.2
77.03930	0.9
79.05500	20.9
80.05893	0.8
81.03472	0.9
81.07062	37.1
83.04974	1.4
83.08629	8.9
85.02927	4.9
85.06554	2.6
91.03969	1.9
91.05489	14.8
93.07050	25.6
95.04995	3.5
95.08614	30.0
97.02895	1.9
97.06558	1.5
97.10197	2.4
105.04560	1.1
105.07040	7.6
107.08604	16.3
109.10166	71.4
110.10496	1.4
111.08101	3.3
117.06990	3.8
119.08585	9.5
121.10168	10.9
122.63596	0.6
123.11732	3.5
125.09635	1.1
131.08629	4.2
133.10129	4.9
135.11705	7.1
137.09647	2.9
145.10164	3.2
147.11693	4.0
149.13248	4.8
155.10670	7.2
159.11714	4.0
161.13284	2.7
163.14861	2.4
173.11794	16.1
173.13309	2.9
175.14801	1.2
177.16388	0.8
182.86089	0.8
187.14847	0.9
201.16396	1.0
216.28615	0.8
227.12802	4.1
229.14359	83.7
230.14803	1.6
243.21176	4.8
261.22147	17.9
261.24942	1.0
317.24829	3.4
335.25824	70.6
336.26279	2.7
397.31094	1.3
471.34631	1.9
489.35791	57.7
490.35947	2.4
507.36819	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	686.448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30725	0.6
53.03950	1.3
55.05515	9.9
57.03176	1.4
57.03439	15.2
57.07087	1.6
59.05004	4.4
61.02928	3.8
65.03949	2.4
67.05508	100.0
68.05853	1.3
69.03419	1.5
69.07068	6.1
69.22276	0.6
71.05000	3.1
71.08656	1.0
73.02932	0.9
74.38189	0.7
77.03941	1.0
79.05499	19.0
81.07059	38.9
83.04994	1.0
83.08617	8.7
85.02913	4.6
85.06564	2.8
91.03956	1.2
91.05483	13.1
92.05890	0.8
93.07053	25.1
95.04975	3.1
95.08610	28.8
97.02923	1.7
97.10220	1.9
99.08118	1.4
105.04516	0.8
105.07037	6.3
107.08599	15.7
109.10164	80.9
110.10498	0.8
111.08094	3.6
117.07031	2.1
119.08587	10.8
121.10160	10.6
123.08110	1.0
123.11700	4.0
125.09672	1.5
131.08577	5.5
133.10161	4.2
135.11713	8.1
137.09639	4.0
137.13319	0.9
145.10109	5.3
147.11734	3.3
149.13280	4.4
155.10699	9.9
159.11723	3.4
161.13286	2.6
162.84734	0.8
163.14857	2.9
164.92171	0.7
173.11772	19.9
173.13303	3.6
175.14867	0.9
176.57994	0.8
177.16428	1.3
187.14890	1.4
189.11209	1.4
209.15344	1.0
227.12750	5.4
229.14359	94.2
230.14856	1.1
243.21083	3.8
257.64960	0.8
261.22134	15.2
261.24591	1.2
317.24881	2.5
322.19220	0.8
335.25809	63.6
336.26233	2.3
379.29700	1.3
395.28351	0.9
397.31049	1.1
415.31973	1.2
471.34991	1.2
489.35800	41.6
490.36066	1.4
507.36758	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07040	1.2
67.05498	5.4
69.07075	2.3
69.55203	1.5
79.05505	3.2
81.03410	2.2
81.07052	3.5
82.65157	1.1
83.08618	1.6
83.26260	1.1
83.47112	1.0
83.47608	1.1
91.05486	4.1
93.07046	2.6
95.08617	2.6
97.06507	0.9
105.07031	4.0
107.08584	2.3
109.10165	1.4
119.08595	1.4
131.08606	1.5
133.10130	1.4
133.20657	0.9
135.11646	1.1
147.11575	1.0
160.78751	0.9
199.08582	1.4
208.09740	1.7
209.10744	3.8
211.12317	2.3
212.13002	1.2
221.10716	1.4
222.11496	2.4
223.08746	2.2
223.12340	5.7
224.13034	4.0
225.13846	3.3
227.08366	1.4
236.09508	1.2
237.10228	2.2
237.13849	11.4
238.14622	6.5
239.15373	4.0
241.09789	1.7
249.10387	1.2
250.11102	2.1
255.07634	1.5
255.11031	0.9
265.13333	7.5
266.14188	3.3
267.14975	4.0
269.09064	1.1
273.12439	1.8
275.20035	3.0
297.12366	2.6
309.16083	1.2
315.13321	3.5
325.15497	7.1
326.12912	1.2
326.16406	1.3
327.17026	2.4
340.14175	1.2
366.15698	1.1
385.09412	1.0
395.18420	1.0
400.16626	1.9
402.21695	1.3
404.23492	1.5
409.20761	1.2
438.20529	1.9
490.22220	1.2
491.24005	1.9
493.22119	2.1
497.25342	2.7
507.23691	2.2
517.21814	1.2
521.25244	2.0
524.23639	1.9
525.24829	5.2
535.23108	1.4
539.26733	2.4
540.27399	2.1
549.24890	2.4
553.24335	2.4
567.26129	2.5
568.26343	1.6
585.26965	1.7
589.48218	2.9
595.25336	11.1
609.27313	9.2
613.25848	1.3
627.28125	23.1
628.28107	1.5
637.26331	4.6
655.27594	100.0
656.27893	8.5
669.28528	1.7
687.29584	4.5
687.40234	8.3
717.40454	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	687.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72551	0.3
69.77438	0.5
69.77815	0.6
79.05456	0.3
81.03441	0.3
81.07066	0.6
81.78233	0.3
87.51694	0.3
91.05479	0.4
93.07075	0.3
97.06591	0.3
117.07001	0.4
122.09644	0.3
127.73087	0.3
132.08177	0.5
144.08133	0.6
146.09695	0.5
158.06058	0.4
160.07668	0.3
166.08723	0.3
169.96527	0.3
172.07581	0.5
183.09171	0.3
186.07913	0.4
187.08688	0.5
194.09743	0.5
195.09235	0.9
196.09866	0.5
197.10797	1.0
199.08737	1.2
207.09219	0.6
208.09879	1.0
208.11485	0.5
209.10704	5.5
210.11458	1.9
211.08699	0.7
211.12231	2.2
212.13139	0.5
213.06697	0.9
213.10234	0.8
221.10831	1.3
222.08037	0.5
222.11217	1.5
223.08839	1.7
223.12221	4.6
224.09401	0.5
224.13092	4.1
225.10225	0.5
225.13867	2.3
226.14616	0.9
227.08185	1.1
227.15500	0.4
232.09712	0.5
235.08711	0.4
235.12326	1.1
236.13123	1.3
237.10255	2.3
237.13858	12.4
238.10977	0.4
238.14598	5.7
238.16769	0.4
239.08182	0.9
239.11830	0.6
239.15404	3.2
240.12679	0.4
240.16164	0.7
241.09735	1.5
249.10271	0.6
249.13889	0.6
251.08228	0.7
251.11852	0.9
252.12637	0.4
253.09698	0.5
253.13350	2.0
255.07645	1.0
255.11395	1.1
259.10855	0.4
265.13339	7.6
266.14139	3.8
267.14960	3.3
269.09375	0.9
269.12964	0.3
273.12305	1.6
275.15378	0.4
275.20087	0.5
281.13031	0.5
285.12509	0.6
286.13525	0.5
287.10681	0.3
287.14267	0.8
290.16690	0.5
293.12927	0.7
297.12210	2.6
299.10443	0.6
300.15076	0.7
301.12036	0.7
301.15991	0.3
301.55661	0.3
302.16504	0.5
309.12698	0.5
309.16092	1.2
311.10303	0.4
312.11407	0.3
312.15054	0.6
313.12082	0.7
313.15802	0.5
314.12994	0.5
314.16486	0.8
315.13525	2.1
315.16962	0.6
316.14581	0.5
316.18051	0.5
317.14682	0.3
323.13889	0.4
325.12006	0.4
325.15466	7.5
325.19040	0.6
326.12845	0.6
326.16400	1.0
327.13898	0.5
327.17093	3.0
328.14474	0.9
328.18195	1.2
329.11465	0.7
330.12570	0.4
335.13901	0.8
336.14749	1.0
336.99796	0.3
340.14563	0.7
343.12985	1.5
349.15625	0.4
358.15512	0.4
359.16617	0.4
364.18073	0.5
372.17410	0.8
374.18658	0.9
380.16730	0.7
386.18777	0.9
387.20016	0.9
388.20450	1.3
389.20956	1.0
390.19116	0.4
391.16428	0.4
392.17188	0.5
393.17453	0.9
394.17978	0.5
395.18884	1.0
399.15714	0.6
400.15942	1.6
401.16620	0.5
401.21100	1.3
402.21936	1.2
403.22672	0.4
404.23660	1.6
405.17682	0.4
406.18082	0.7
407.18958	0.9
408.19772	1.0
409.20313	1.2
414.18188	1.0
415.18912	0.4
417.17593	0.4
418.17804	1.0
419.18689	1.3
420.19803	0.6
421.16196	0.6
422.16974	0.5
423.18060	1.1
430.21518	0.8
432.19376	0.5
433.20245	1.2
434.20264	0.3
435.18085	0.4
437.19858	1.2
438.20877	0.6
439.21756	0.4
449.23734	0.5
451.21396	0.5
460.18683	0.7
461.19315	0.4
462.20963	0.6
463.21140	0.6
465.18805	0.4
467.20688	0.9
468.22275	0.4
475.21381	0.5
479.20837	0.5
480.22272	0.4
481.22620	1.4
482.23486	0.9
490.23465	1.5
491.25269	1.7
492.21915	0.5
494.23386	0.4
497.25598	2.3
498.26144	0.5
506.23645	1.2
507.24118	2.7
508.22675	0.7
509.22211	0.5
510.22888	0.4
511.23358	1.0
512.24689	0.3
517.22565	0.5
521.26001	1.6
522.25458	0.6
524.24353	1.8
525.25085	5.9
526.25507	0.7
535.23541	1.3
536.22687	0.4
539.27252	1.4
540.27356	1.5
549.24994	2.7
550.24426	0.4
552.23517	0.6
553.24634	1.4
555.37964	0.3
567.26117	3.0
568.26703	1.3
577.24353	0.6
579.25751	1.2
585.27106	0.8
595.25446	3.1
605.24268	0.4
609.27130	9.5
609.37054	0.5
610.26849	0.9
611.28748	0.9
613.26593	1.0
627.28149	23.6
628.28473	2.6
628.87079	0.4
637.26471	3.8
645.30707	0.7
655.27594	100.0
656.27899	8.3
687.30090	5.7
687.41260	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	687.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61142	1.4
55.05526	1.8
57.83707	1.2
59.27994	1.3
67.05508	5.0
79.05485	2.5
81.07067	3.4
88.36814	1.4
91.05511	1.7
93.07070	1.7
95.04992	1.7
95.08614	1.9
107.08643	2.1
109.10159	1.9
128.87590	1.3
151.82628	1.3
335.22079	7.4
391.24609	4.5
599.32770	2.4
650.07080	1.8
687.48041	100.0
688.48096	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	687.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71288	1.6
64.30643	1.4
67.05495	4.2
79.05487	3.6
80.09703	1.5
81.07059	5.5
90.83958	1.6
93.07056	1.9
95.08609	3.7
95.86379	1.4
105.07015	2.4
118.58452	1.3
118.59294	1.5
119.08696	1.5
162.33006	1.5
248.85278	1.4
267.65439	1.7
335.21979	5.4
391.24628	2.9
523.82434	1.7
553.19086	1.6
610.27350	1.5
687.47980	100.0
688.48010	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	688.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01869	3.4
55.05509	17.3
57.03442	10.0
57.07061	1.0
61.02922	1.9
65.03952	2.3
67.05505	35.4
69.03431	4.1
69.07068	12.2
70.70941	1.8
71.04997	3.3
73.06561	1.2
77.03922	2.2
79.05495	48.5
81.03416	51.6
81.07053	37.4
83.04982	17.8
83.08617	18.3
85.02904	12.7
85.06559	3.3
91.05480	51.5
93.07043	50.8
95.04961	28.1
95.05531	2.0
95.08601	18.7
97.02888	2.9
97.06528	6.4
97.10178	3.9
99.08092	2.4
102.50166	1.1
105.04515	3.5
105.07029	38.4
107.04944	9.8
107.08593	13.4
109.06525	7.5
109.10167	5.0
111.04507	2.0
111.08079	7.7
113.06033	2.0
113.15641	1.0
115.05476	1.9
117.06985	5.8
119.08585	26.7
121.06503	3.5
121.09392	1.3
121.10106	7.0
123.08051	5.3
123.11697	1.6
129.06992	14.1
131.08559	9.3
133.06514	2.0
133.10110	15.9
135.11713	1.7
142.07747	1.3
143.08528	6.5
145.10097	6.0
147.08040	3.6
147.11678	32.8
149.09595	5.3
157.10146	11.2
161.09599	2.9
161.13220	7.0
165.12749	1.7
171.11700	15.2
175.11172	9.8
189.12761	5.3
193.12230	29.0
207.13802	19.8
211.13287	35.6
265.04257	1.1
267.15921	35.3
281.17468	58.0
282.17627	1.6
285.16940	35.3
285.19946	2.1
286.17200	1.3
319.97406	1.4
366.79251	1.3
421.25305	1.4
473.28970	100.0
474.29196	6.0
491.30032	76.3
491.35498	1.2
491.37469	1.4
492.30347	5.0
688.35559	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	689.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
51.23660	0.2
51.66399	0.2
53.03936	0.7
55.01870	0.4
55.05509	1.5
57.03437	1.2
61.02922	3.4
65.03938	0.3
65.91295	0.2
67.05164	0.3
67.05506	4.4
69.03432	1.8
69.07063	1.0
71.01375	0.4
71.04991	0.4
72.49429	0.2
72.62934	0.2
73.02917	1.8
79.05492	5.4
81.03428	1.6
81.06619	0.5
81.07059	4.3
83.04967	1.2
83.08600	0.4
85.02906	3.4
85.06556	0.4
87.04462	0.5
91.03949	2.3
91.05482	4.7
93.07039	4.7
95.04945	2.1
95.08611	3.2
97.02901	3.1
97.06527	0.4
97.10153	0.3
99.04469	0.7
101.02378	1.3
105.04530	0.4
105.07037	3.4
105.29261	0.3
107.04941	0.8
107.08591	1.7
109.02853	0.5
109.06528	0.4
109.10162	0.6
117.07018	0.7
119.08571	1.7
121.10137	0.6
123.08066	0.6
127.03905	1.1
128.06241	0.3
129.07002	1.4
131.08580	0.5
133.10146	1.7
135.07948	0.3
135.11755	0.4
136.67555	0.2
143.08556	0.7
145.10152	0.9
147.11685	2.4
155.08598	0.3
161.13264	1.2
171.11690	1.8
172.16299	0.2
189.12773	0.6
203.05225	0.4
207.13782	0.8
229.07368	0.3
243.08324	2.3
247.13077	2.4
281.17490	0.6
303.15625	0.8
447.25150	0.5
465.20959	15.0
466.21371	0.7
539.72021	0.2
631.35974	0.8
667.26648	0.3
688.53864	0.7
689.34821	100.0
690.35303	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
51.63714	1.6
53.03947	7.9
55.01870	5.8
55.05513	26.0
57.03447	12.2
57.07081	3.3
59.05003	2.0
61.02929	7.5
65.03944	4.4
67.05505	71.7
68.05851	1.6
69.03425	20.1
69.07069	24.5
70.67673	1.6
71.04995	8.0
73.02911	6.7
79.05492	59.0
81.03423	37.5
81.07056	83.2
82.07378	2.0
83.04966	13.2
83.08628	14.8
85.02898	13.3
85.06554	4.8
91.03963	4.6
91.05481	57.1
93.06450	3.6
93.07044	66.1
93.51217	1.6
95.04967	20.3
95.08601	39.9
97.02889	18.1
97.06512	11.3
97.10175	4.1
99.04468	6.6
99.08131	2.3
103.05506	3.7
105.04547	5.4
105.07026	49.1
107.04958	7.1
107.08592	34.6
109.02885	6.1
109.06513	9.4
109.10147	14.8
111.04450	5.1
111.08109	3.6
112.13543	1.6
115.05470	5.9
117.07022	29.3
119.08582	36.8
119.97814	1.7
121.06496	4.2
121.10148	23.2
123.04434	3.3
123.08068	5.0
123.11705	8.8
125.09662	3.3
127.03909	8.5
127.07622	1.8
128.06227	5.9
129.05496	3.8
129.07004	24.7
130.07785	1.6
131.07651	1.5
131.08563	40.5
133.06502	3.4
133.10130	30.5
135.08078	4.6
135.11708	15.0
139.07498	1.6
141.06998	7.2
142.07797	6.4
143.08563	26.5
145.02979	1.6
145.05025	2.7
145.06442	4.0
145.10124	28.4
147.04369	2.8
147.08066	3.4
147.11687	30.3
149.09621	5.8
149.13243	11.9
149.54572	2.0
153.06918	1.6
155.08560	14.0
156.09425	3.0
157.06573	2.9
157.10139	23.0
159.08083	5.5
159.11670	24.7
161.09615	3.5
161.13280	9.3
163.11157	2.7
165.12755	5.5
166.07753	2.2
167.08600	6.6
169.10127	15.8
170.10887	2.7
171.08119	2.9
171.11696	18.1
173.04567	2.2
173.09650	3.3
173.13246	14.2
175.11169	3.0
175.14842	5.4
177.12740	6.3
179.08676	2.9
181.10085	12.9
183.08124	2.9
183.10242	3.0
183.11671	13.9
185.09656	3.8
185.13280	14.0
187.11192	3.1
187.14815	3.8
189.12769	4.0
193.10199	4.9
195.11734	10.1
195.13846	7.9
197.09625	2.8
197.13226	10.7
199.14824	5.4
207.11748	3.2
209.13295	5.9
211.11227	2.5
211.14911	5.2
213.12827	3.3
213.16455	2.6
219.11784	2.3
221.13293	3.5
223.11171	2.6
223.14847	3.7
225.12755	2.2
227.14261	2.1
228.66373	1.9
237.16354	1.9
239.14474	2.1
239.17911	1.7
241.19603	4.9
247.14894	1.9
257.18985	5.1
259.13309	2.0
259.20514	11.4
261.22168	3.7
267.15863	8.0
269.17450	17.8
271.20612	3.0
273.18597	2.2
283.20486	2.0
285.16992	5.4
289.21573	1.7
299.19928	2.1
301.21738	3.7
309.22061	2.4
313.21851	3.5
315.23190	2.6
321.22122	2.4
323.23618	2.7
325.21707	3.1
331.22995	2.0
333.24481	11.6
335.25525	3.1
337.21436	2.6
339.23083	4.1
349.21664	3.8
351.23163	6.2
355.22131	2.1
367.22791	9.3
373.23703	1.7
385.23151	4.2
387.25256	2.3
413.21652	5.7
417.31570	4.4
425.26706	2.2
435.32550	7.5
441.26398	2.9
453.33710	3.1
509.36142	5.4
525.35303	3.5
527.37329	100.0
528.37982	3.7
529.38721	1.9
539.36792	4.1
543.35736	5.1
545.38049	3.8
569.38403	4.7
574.48816	2.2
593.38550	3.4
597.36926	2.3
617.38135	4.5
623.39288	5.6
635.39325	19.3
653.40497	17.6
657.28387	3.9
671.41595	24.0
672.41357	2.5
689.32300	2.6
689.42761	37.3
690.41956	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.2
55.01876	3.8
55.05517	26.6
57.03433	15.2
57.07084	5.0
61.02929	7.4
65.03951	4.2
67.05500	70.2
69.03426	31.8
69.07065	22.8
71.04994	13.1
71.45669	4.0
72.03610	3.1
73.02925	8.3
79.05493	57.6
81.03416	69.3
81.07057	92.4
81.07507	7.1
83.04987	13.8
83.08615	13.3
85.02893	18.8
85.06552	6.7
90.57275	3.5
91.05483	60.2
93.07047	64.8
95.04973	21.3
95.08608	45.9
97.02894	29.6
97.06546	9.0
97.10162	7.1
99.04438	7.8
99.08097	4.7
101.02394	4.3
101.26736	3.2
101.60964	3.2
105.04482	5.2
105.07030	53.4
107.04944	7.8
107.08582	37.1
109.02882	10.1
109.06532	5.1
109.10151	15.0
111.04471	6.4
111.08114	4.3
115.05431	3.4
117.07032	29.0
119.04983	4.0
119.08559	36.2
121.06529	4.8
121.10173	29.7
123.08056	4.1
123.11731	4.9
127.03935	14.0
128.06233	9.3
129.05482	7.7
129.06955	20.5
131.08554	38.1
133.06444	5.4
133.10133	23.3
135.08073	5.0
135.11694	12.8
141.07014	8.8
142.07770	5.7
143.08537	20.4
145.06419	4.2
145.10127	27.7
147.08061	5.2
147.11678	19.5
149.09662	3.8
149.13277	12.6
155.08557	10.2
157.10101	24.7
159.11676	27.3
161.13304	8.3
165.12732	4.6
167.08627	7.0
169.10098	18.2
171.11720	21.5
173.04454	21.9
173.09850	4.9
173.13277	14.3
175.11134	4.5
177.12801	4.0
179.08569	5.7
181.10094	10.0
183.11726	17.2
183.13203	4.0
185.13281	15.9
193.10107	5.7
195.11649	10.6
197.13301	13.2
199.11179	5.4
199.14807	7.2
209.13326	7.7
211.14841	4.7
218.10997	3.6
235.62372	3.3
239.18158	5.0
241.19582	4.8
259.20526	5.6
267.15869	12.2
269.17490	15.7
277.21576	3.8
297.22223	4.4
333.24310	6.7
335.25800	7.1
339.23294	4.9
349.21664	6.1
367.22885	5.3
385.23679	4.3
435.32504	10.3
453.34045	6.1
509.36472	9.3
525.35718	4.7
527.37311	100.0
528.37720	5.1
545.38440	6.0
569.38947	7.6
575.48792	3.9
635.38751	13.0
653.40021	11.5
671.41333	21.0
689.42560	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79297	0.4
53.03944	1.7
55.01872	6.2
55.05254	0.9
55.05511	15.9
56.50113	0.5
57.03436	13.0
57.07071	1.0
59.05003	2.6
61.02921	4.4
65.03934	1.2
67.05158	0.9
67.05504	16.4
68.92445	0.5
69.03422	3.7
69.07066	4.6
71.01338	1.2
71.04996	4.6
71.08652	0.5
73.02903	1.0
73.13309	0.5
77.03941	0.5
79.05489	21.6
81.03414	47.2
81.07052	23.4
83.01338	5.4
83.04980	15.1
83.08617	20.6
83.09010	0.3
85.02903	20.1
85.03415	1.1
85.06542	2.2
87.04485	0.6
91.03952	1.6
91.05479	24.3
92.05826	0.5
93.07040	25.3
95.04964	19.9
95.08603	9.4
95.78545	0.4
97.02882	5.3
97.06539	4.2
97.10181	2.5
99.04462	1.2
99.08099	0.8
103.05451	0.7
105.04529	0.9
105.07025	15.3
106.07317	0.6
107.04955	8.9
107.08586	12.2
109.02895	0.7
109.06516	7.6
109.10146	4.0
111.04440	3.6
111.08080	7.9
113.06013	1.6
115.05440	0.7
117.07009	5.6
119.04890	0.5
119.08572	16.8
120.08798	0.5
121.06488	3.6
121.10136	9.8
123.08067	6.9
123.11694	0.7
125.06004	1.2
125.09606	2.5
129.05504	0.6
129.07019	7.3
130.07805	1.3
131.08549	8.8
133.06490	1.3
133.10127	8.1
135.08034	1.7
135.11688	9.2
137.09601	1.8
142.07762	1.6
143.08556	1.0
145.06508	0.6
145.10114	11.4
147.08046	3.7
147.11694	9.3
149.09598	4.0
151.11232	0.7
153.08995	0.6
153.12758	2.0
155.08594	0.9
157.10117	8.6
161.05966	0.6
163.11172	16.5
164.11563	0.7
165.12717	1.3
173.09656	2.1
175.11183	8.8
181.12207	2.4
189.11177	0.6
191.10703	1.7
193.12230	24.5
194.12573	0.8
209.11723	3.6
211.13281	36.5
212.13631	1.7
227.12733	3.3
249.14934	0.7
265.14343	0.7
267.15906	8.9
268.16306	0.5
283.15390	56.4
284.15707	2.5
285.16946	34.5
286.17337	0.9
365.21198	0.6
383.22162	2.6
401.23309	1.2
457.25638	2.8
475.26895	16.9
475.33783	1.0
476.27020	1.2
493.27927	100.0
494.28241	7.5
503.17041	0.6
563.86646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
54.66524	0.7
55.01873	5.7
55.05510	13.7
57.03437	10.7
61.02922	1.9
65.03941	1.8
67.05504	19.0
69.03421	2.9
69.07070	7.0
71.04976	4.3
73.02928	1.5
77.03919	0.9
79.05491	26.9
81.03413	33.4
81.07056	24.1
83.04977	10.6
83.08619	16.5
85.02907	15.7
85.06545	1.1
91.05478	20.8
93.07042	29.8
95.04967	16.6
95.08606	28.2
97.02894	5.2
97.06515	5.0
97.10175	2.6
99.04449	3.6
99.08057	1.0
105.04523	1.4
105.07026	15.5
107.04960	8.8
107.08595	21.4
109.06499	4.7
109.10157	3.3
111.04452	2.7
111.08080	7.2
113.06012	2.5
117.07015	5.6
119.08585	19.2
121.06530	5.7
121.10139	12.3
123.08083	2.2
123.11674	1.0
123.96490	0.9
125.06003	2.8
125.86681	0.9
129.07031	5.1
130.07779	1.5
131.08562	7.1
133.06458	1.3
133.10126	7.3
135.08073	2.7
135.11691	37.8
136.11992	1.1
137.09595	1.4
139.07541	1.3
142.07809	1.8
145.10127	23.3
147.08067	2.0
147.11687	7.3
147.94600	0.9
149.09647	4.0
153.12761	1.0
157.10143	9.5
163.11176	51.4
164.11525	1.0
165.12717	1.9
175.11182	9.1
181.12225	9.2
183.11539	1.0
193.12242	25.1
209.11664	1.9
211.11234	0.9
211.11798	0.6
211.13286	30.3
227.12775	56.8
228.13177	1.4
234.78479	0.9
249.14729	0.9
267.13593	0.5
267.15903	30.4
283.15396	67.5
284.15775	2.2
285.16962	53.6
286.17288	2.6
302.53772	1.0
475.26901	32.5
475.33484	1.2
476.27225	2.9
493.27966	100.0
494.28345	6.7
515.41754	0.9
690.31879	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	690.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12023	0.3
51.28991	0.3
56.05006	0.5
58.06601	0.5
60.08161	5.1
69.36004	0.9
69.36409	0.7
71.07375	2.6
72.34821	0.4
86.09706	25.3
88.35478	0.3
94.22853	0.3
95.08595	0.4
98.98472	2.6
104.10744	2.4
116.42773	0.3
124.99998	16.5
139.18837	0.4
184.07338	100.0
185.07678	0.8
276.09515	0.3
329.34930	0.4
575.50525	0.7
690.47076	10.9
691.46710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32290	0.2
51.53201	0.2
53.03947	0.3
55.01874	0.7
55.05502	0.9
57.03435	1.9
57.07065	0.3
59.04990	0.3
61.02926	4.5
67.05502	8.1
69.03426	2.9
69.07073	0.7
71.01349	0.4
71.04997	0.7
73.02912	3.8
79.05489	2.1
81.03416	1.4
81.07056	3.4
83.08634	0.6
85.02901	5.2
85.06542	0.3
87.04476	0.4
91.03959	3.7
91.05476	1.3
91.81279	0.2
93.07035	2.8
95.05028	0.3
95.08597	2.4
96.35155	0.2
97.02892	4.4
99.04470	0.9
101.02384	1.4
102.73768	0.2
103.03912	0.4
105.07034	0.9
107.08594	1.3
109.02886	1.1
109.10154	7.6
110.59772	0.3
111.08063	0.4
115.03952	0.4
117.07034	0.3
119.08598	0.9
121.10163	1.0
127.03911	1.5
131.08611	0.6
135.11739	0.8
137.09630	0.4
145.05009	0.3
147.11664	0.4
149.13327	0.5
155.10706	0.7
173.11761	2.4
173.13132	0.4
185.04260	0.9
195.09970	1.0
203.05275	0.4
229.14522	1.2
229.98508	0.3
243.08398	2.3
251.12584	0.4
335.25827	0.5
396.37903	0.2
413.17776	10.4
413.23364	0.5
519.29266	4.9
519.36377	0.4
529.35004	0.3
691.40222	100.0
692.40662	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.10023	0.2
55.05513	1.4
56.37527	0.3
57.03431	2.0
59.04991	0.3
61.02924	5.9
66.45975	0.3
67.05504	5.8
68.99125	0.3
69.03426	2.6
69.07063	0.9
71.04977	0.5
73.02915	3.4
79.05486	2.1
81.03418	1.7
81.07050	3.2
83.04972	0.3
83.08611	0.7
85.02898	5.1
87.04489	0.3
91.03954	3.5
91.05483	2.1
91.05978	0.4
93.07038	3.1
95.04952	0.5
95.08601	3.0
97.02887	3.8
99.04473	0.7
101.02380	1.6
105.07036	0.6
107.08596	1.5
107.63828	0.3
109.02882	0.8
109.10159	3.8
115.03942	0.7
117.07072	0.4
118.67648	0.3
119.08582	0.7
120.27382	0.3
121.10150	0.9
127.03910	1.5
129.26370	0.3
131.08617	0.4
133.10114	0.5
134.80402	0.3
135.11742	0.9
145.10110	0.3
147.11723	0.5
171.11838	0.3
173.11823	0.4
185.04247	0.7
189.75613	0.3
195.09933	1.0
198.63530	0.3
203.05287	0.4
229.14381	0.6
238.07417	0.3
243.08459	1.2
250.00342	0.3
335.25876	0.8
393.10181	0.3
413.17731	4.1
519.29346	7.4
550.77667	0.3
691.40210	100.0
692.40607	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	692.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.2
55.01877	17.5
55.05519	33.9
57.03444	28.3
57.07087	4.5
59.05006	2.5
61.02939	10.1
61.03201	1.5
62.61895	1.4
65.03949	4.6
67.05515	84.8
69.03446	6.7
69.07081	24.7
71.01373	2.3
71.05005	6.5
73.02927	7.8
77.03955	2.2
79.05502	58.4
81.03429	24.7
81.07069	100.0
82.04208	5.5
83.04997	17.7
83.08633	25.8
83.27534	1.5
84.36076	1.7
85.02911	10.8
85.06567	6.3
87.04478	1.9
91.03968	5.0
91.05493	40.1
93.07054	64.3
95.04975	22.0
95.08621	25.5
97.02917	7.5
97.06547	18.0
97.09634	2.5
97.10168	13.0
98.07333	5.2
98.23080	9.7
99.08121	3.7
105.04541	3.0
105.07055	13.5
107.04978	7.1
107.08613	39.1
107.09338	2.4
109.06553	5.7
109.10172	18.1
111.04462	2.5
111.08102	11.5
115.05517	1.7
116.04722	12.3
117.07035	13.4
119.08595	14.0
121.06551	5.6
121.10166	17.5
122.10974	1.4
123.08125	4.1
123.11736	6.5
125.09659	16.0
127.07587	1.9
127.11207	2.1
129.05498	28.2
129.07021	3.9
131.08563	14.3
133.10133	24.7
135.08133	5.3
135.11702	13.6
137.09660	2.5
139.07602	2.0
143.07094	6.5
145.10132	5.1
147.08060	2.0
147.11731	6.6
149.09694	2.6
149.13260	22.6
151.11221	2.8
153.12808	3.6
155.10660	1.8
157.08649	15.5
157.10161	5.5
158.05792	2.2
159.03297	1.4
159.11731	10.6
163.11188	9.1
164.12265	1.5
171.06563	4.3
171.10178	6.8
173.09636	1.7
173.11819	4.4
175.11151	2.1
177.12804	7.4
189.11255	4.8
191.10741	4.6
193.12305	5.6
195.13844	22.5
199.13284	16.9
200.14168	2.5
209.11752	7.3
211.13411	2.6
213.14883	2.4
227.12773	12.9
229.14372	2.5
255.15926	3.3
267.15936	8.2
269.17505	85.4
270.17825	2.8
281.75189	1.6
283.15439	11.8
301.16510	51.5
323.18610	4.2
365.23105	1.8
393.26358	5.8
411.27386	14.4
423.27487	31.6
424.27841	2.0
437.28656	1.7
461.28986	4.1
463.30914	2.0
477.28607	10.9
478.29355	2.8
495.29501	79.1
496.29691	4.4
706.00751	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.59827	1.0
55.01873	8.5
55.05258	2.1
55.05510	32.1
57.03148	1.8
57.03426	21.8
57.07070	2.1
59.04985	4.5
61.02929	8.6
65.03941	2.8
65.45347	1.0
67.05502	100.0
69.03419	3.9
69.07066	21.2
69.90792	0.9
70.40661	1.0
71.01350	1.1
71.04994	8.5
71.08645	1.2
73.02914	6.3
74.49945	1.0
77.03908	1.3
79.05492	40.3
81.03420	11.8
81.07056	80.5
82.10501	1.1
83.04981	10.3
83.08614	20.6
85.02910	14.5
85.06538	4.7
87.04465	4.5
91.03938	3.1
91.05474	33.1
93.07043	44.0
93.23973	1.0
95.04980	9.6
95.08602	25.7
95.09210	1.5
96.60871	0.9
97.02910	5.8
97.06516	9.4
97.10168	16.8
99.08105	3.6
103.03904	1.5
105.04459	1.4
105.07031	12.7
106.79266	1.0
107.04941	4.4
107.07851	1.1
107.08591	31.9
109.06505	3.4
109.10155	52.3
111.04379	2.0
111.08060	7.4
116.04676	1.4
117.07024	8.7
119.08586	8.9
121.06493	3.3
121.10143	9.9
123.11718	3.3
125.09629	13.3
127.03848	1.3
127.07533	1.8
129.05463	4.6
129.06944	2.3
131.08549	10.2
133.10127	13.0
135.08092	2.2
135.11696	11.4
137.09583	2.6
143.10690	1.9
145.10074	3.8
147.08081	1.4
147.11678	5.2
149.09608	1.7
149.13248	15.1
151.11165	2.5
153.12749	3.2
155.10672	4.4
159.11665	9.2
163.11197	7.2
165.12743	3.0
170.42017	1.1
171.06465	1.1
173.09564	1.5
173.11737	14.3
175.11172	1.1
177.12761	5.2
181.12157	2.1
191.10663	2.6
193.12216	3.6
195.13792	18.5
199.13281	9.3
209.11736	6.2
211.13231	2.3
213.14896	2.2
227.12703	8.5
229.14334	54.5
239.16365	3.4
257.13736	6.1
267.15915	7.8
269.17453	67.9
270.17868	1.2
283.15344	4.0
285.16940	1.2
297.16946	1.6
301.16461	19.0
393.26428	2.5
411.27502	7.2
423.04593	1.3
423.27374	43.6
424.27734	2.5
431.27759	1.5
431.77679	1.3
437.29089	1.3
449.29327	1.7
463.30176	1.8
477.28323	2.6
495.29428	72.5
496.29843	5.1
513.30536	28.6
514.31195	1.7
599.99823	1.1
693.32306	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01864	3.4
55.05262	1.1
55.05509	16.8
57.03431	15.4
57.07095	1.3
59.04994	1.0
61.02925	4.2
63.87941	0.8
65.03925	2.3
67.05504	26.2
69.03426	4.5
69.03747	0.9
69.07064	7.8
71.01357	0.9
71.04993	5.4
73.02901	1.7
79.05488	27.3
81.03413	84.7
81.07053	32.7
82.03750	1.1
83.04975	19.3
83.08117	1.7
83.08614	29.2
85.02902	35.2
85.06531	2.8
87.73064	0.9
91.03951	1.6
91.05476	37.0
93.07037	18.7
95.04962	32.0
95.08602	10.8
97.02870	5.1
97.06526	4.8
97.10152	5.4
98.22723	2.5
99.08079	1.9
105.04546	0.9
105.07024	29.0
107.04945	9.8
107.08584	7.2
109.06507	6.3
109.10117	3.0
111.04433	2.7
111.08076	14.0
113.05969	4.0
114.14004	0.7
115.05421	1.7
117.07003	2.8
119.04910	0.7
119.08577	22.6
121.06505	1.5
121.10138	11.1
123.08055	2.5
123.11744	1.7
125.09616	1.7
129.07001	14.8
131.08560	15.0
133.06468	3.5
133.10136	13.7
137.09624	2.3
142.07794	4.5
145.10121	1.8
147.08081	3.7
147.11681	20.2
149.09599	8.7
157.10127	18.9
163.11111	1.2
165.12700	4.4
175.11176	20.7
193.12241	61.3
194.12537	1.3
196.09238	0.9
198.12704	0.7
211.13275	100.0
212.13565	2.2
249.14967	1.6
267.15894	37.0
268.16284	1.1
273.15060	0.8
285.16953	95.2
286.17303	2.8
367.22586	2.2
385.23816	3.9
391.82449	0.8
403.24725	1.4
433.25699	2.1
441.26028	1.5
459.27365	24.1
460.27557	1.6
477.28445	28.7
478.28540	1.3
489.58633	0.9
495.29492	80.5
496.29599	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01867	10.7
55.05513	30.9
57.03440	20.4
57.07087	3.1
59.04993	1.8
61.02918	7.8
65.03930	3.1
67.05506	71.7
69.03431	7.0
69.07071	20.5
70.15556	2.3
70.15866	1.4
71.04987	6.2
73.02910	5.0
79.05495	49.0
79.42813	1.3
81.03416	20.6
81.07056	85.7
82.04185	1.3
83.04985	17.4
83.08622	20.6
85.02921	8.6
85.06548	5.1
86.78056	1.2
88.62132	1.7
90.06589	1.4
91.03950	3.0
91.05481	31.9
93.07047	57.5
95.04968	17.5
95.08607	25.3
97.02895	7.8
97.06525	14.3
97.10166	14.6
98.07312	4.1
99.04451	2.4
99.08083	2.1
101.05997	1.4
105.04518	3.2
105.07027	14.6
107.04962	8.7
107.08591	38.4
107.90956	1.3
109.06545	2.1
109.10162	15.4
111.08092	9.7
113.06049	1.5
116.04718	8.8
117.07012	8.6
119.08594	8.1
121.06516	2.7
121.10146	23.2
123.08073	5.2
123.11721	2.4
125.09622	13.7
127.03908	2.7
129.05482	22.1
129.07013	4.5
131.08574	13.2
133.10136	17.4
135.08063	2.7
135.11674	13.1
137.09607	3.2
139.11163	1.9
143.07025	4.1
143.10680	1.9
145.10138	3.0
147.08041	3.0
147.11691	5.2
149.09610	2.5
149.13254	26.4
153.09143	1.7
155.10669	2.9
157.08603	9.2
157.10114	4.4
159.08025	1.3
159.11699	14.4
163.11226	5.5
165.12704	2.4
171.06577	3.5
171.10161	4.3
173.09618	1.8
173.11761	3.8
175.11150	3.9
177.12762	6.2
181.12195	2.1
185.11800	1.9
189.11209	5.4
191.10631	3.0
191.40091	1.5
193.12253	7.8
195.13792	19.3
199.09607	1.7
199.13329	15.4
200.14053	1.7
209.11728	7.9
211.13336	5.7
213.14841	3.6
227.12782	9.5
229.14313	3.8
239.12871	2.5
239.16324	2.5
255.15872	2.7
265.14444	2.1
267.15958	9.7
269.17465	86.4
270.17822	2.5
283.15445	13.2
285.16959	4.4
297.77313	1.4
301.16479	45.3
302.16727	1.6
316.19498	1.4
323.18576	4.0
351.21933	1.4
365.27460	1.5
391.53723	1.3
393.26303	5.0
411.27362	11.2
413.22021	2.2
423.21918	2.5
423.27420	29.8
449.29022	4.3
459.27176	2.9
461.28894	6.1
463.30252	1.9
477.28546	18.2
478.29050	6.8
495.29471	100.0
496.29581	4.8
639.34094	3.4
693.34485	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05511	38.3
57.03426	19.7
57.07075	2.5
59.05004	3.4
61.02922	7.2
65.03949	1.8
67.05505	100.0
69.03426	6.4
69.07069	16.4
69.47610	5.8
71.01390	1.9
71.04989	6.3
73.02924	5.9
79.05495	43.9
81.03420	15.4
81.07058	76.5
83.04977	9.7
83.08621	23.6
85.02909	16.6
85.06548	5.3
87.04466	4.6
91.03944	3.0
91.05480	29.6
93.07044	48.7
95.04968	10.2
95.08610	22.1
97.02892	9.2
97.06516	11.0
97.10178	16.5
99.04448	1.5
99.08125	2.6
101.05998	1.2
102.76717	1.2
103.03974	2.0
105.07029	10.7
107.04966	5.0
107.08594	32.4
108.76949	1.0
109.06535	3.8
109.10162	49.8
111.04449	2.8
111.08083	7.0
115.05507	1.5
117.07053	7.5
119.08562	10.0
121.06593	1.7
121.10120	9.1
123.08085	2.3
123.11706	6.5
125.09621	13.8
125.87417	1.4
129.05476	6.2
129.06956	1.9
131.08557	8.7
133.10144	14.8
135.08080	3.2
135.11678	9.4
137.09639	3.5
143.10712	2.9
145.04932	1.5
145.10138	4.8
147.08086	1.6
147.11700	3.2
149.13243	11.8
151.11185	2.4
153.12732	2.7
155.10677	6.6
157.10179	2.1
159.11662	7.9
163.11139	9.4
165.12813	2.6
173.09610	1.7
173.11748	15.1
173.13127	2.2
175.11234	1.8
177.12755	4.1
181.12239	2.8
191.10719	3.5
193.12259	5.0
195.13808	16.8
199.13330	8.2
209.11748	7.7
211.13290	4.2
227.12816	9.2
229.14352	56.1
230.14673	2.0
239.16524	3.5
265.14447	1.5
267.15842	9.7
269.17477	68.0
270.17838	3.8
283.15411	7.4
297.17114	2.7
301.16449	23.8
323.18652	1.8
326.96066	1.4
349.64752	1.5
357.24335	2.0
393.26160	1.5
411.27377	5.2
423.27454	37.1
424.27356	2.1
431.27811	2.6
449.28824	1.8
459.27008	2.0
477.28680	3.3
495.29483	72.4
496.29813	4.0
507.06241	1.4
513.30603	28.3
514.30908	1.7
602.87720	1.4
623.75513	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	692.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22514	0.7
53.03953	1.6
55.01869	2.3
55.05515	16.6
57.03182	0.9
57.03441	10.9
57.07077	2.3
59.04999	2.2
61.02936	5.4
65.03939	2.5
67.05505	78.1
68.05830	1.4
69.03432	1.9
69.07068	18.2
69.76150	2.4
71.04995	20.1
71.08652	0.8
73.02914	2.3
79.05494	33.2
81.03423	4.9
81.07056	100.0
82.07384	1.1
83.04981	7.1
83.08621	13.6
85.02907	5.3
85.06537	8.1
87.04494	1.7
89.17246	0.7
91.03951	1.5
91.05482	26.4
93.07046	46.0
95.04964	6.8
95.08607	16.2
97.02896	2.4
97.06532	10.1
97.10181	5.5
99.04449	0.8
99.08105	2.5
105.04517	1.3
105.07030	11.1
107.04985	1.3
107.08594	29.7
109.06544	2.4
109.10164	16.2
111.08085	6.7
113.05978	0.7
113.09647	1.4
117.07021	7.6
119.08565	3.3
121.06507	1.0
121.10143	13.5
123.08055	1.1
123.11707	10.9
125.09671	3.7
127.03922	1.6
129.05447	1.3
131.08578	8.3
133.10133	16.9
135.08047	1.4
135.11681	8.0
137.09618	0.9
139.11189	1.6
145.10141	1.0
147.11694	2.3
149.09668	1.7
149.13258	21.5
151.11171	6.5
153.12749	1.1
155.10638	1.7
159.11714	10.7
163.11192	1.0
169.12292	1.7
173.11755	3.0
177.12714	4.5
183.13797	1.8
187.13341	3.6
189.80110	0.7
191.10612	0.9
193.12279	1.7
195.13797	10.3
199.13364	1.8
209.11784	1.7
211.13251	0.8
213.14980	1.7
227.12805	2.6
229.14340	14.8
257.17590	0.9
267.15936	3.0
269.17471	34.5
270.17847	0.9
283.15509	2.2
287.48532	0.7
301.13522	0.7
301.16556	4.1
301.20126	8.4
411.27222	1.4
423.27368	10.0
437.28992	44.0
438.29422	2.5
445.30051	0.8
451.30563	6.2
463.30542	96.7
464.30820	7.8
495.33749	40.3
496.33377	2.1
501.65067	0.7
513.30457	5.2
597.03015	0.8
639.37549	1.1
715.68536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42591	0.7
53.03942	1.8
55.01871	2.3
55.05257	0.9
55.05510	15.6
57.03181	0.9
57.03440	10.4
57.07068	2.6
59.04996	2.1
61.02936	6.0
65.03948	1.6
67.05505	75.6
68.05832	1.0
69.03421	3.0
69.07071	14.5
69.68878	2.6
71.04996	21.6
71.08614	1.0
73.02914	2.8
77.03920	1.1
79.05493	30.0
81.03423	4.1
81.07056	100.0
82.07391	1.3
83.04988	6.4
83.08618	16.0
85.02899	6.5
85.06535	8.8
87.04467	1.3
91.03962	1.6
91.05481	29.1
93.07045	39.5
95.04974	5.4
95.08601	15.6
97.02877	3.5
97.06525	8.2
97.10168	4.7
99.04465	1.2
99.08089	1.5
105.04529	1.5
105.07027	10.9
107.04945	1.4
107.08591	24.4
109.06510	3.2
109.10155	18.9
111.08094	6.0
117.07022	7.4
119.08553	3.3
121.06556	2.2
121.10152	9.8
123.08092	0.8
123.11697	13.1
125.09618	3.7
127.03938	0.9
129.05505	1.3
131.08577	7.2
133.10124	23.9
135.08098	1.3
135.11685	8.8
135.36833	0.6
143.10733	1.1
145.04945	0.8
145.10126	1.4
147.11734	1.7
149.09543	0.8
149.13260	14.6
151.11177	7.2
153.12769	0.8
155.10757	1.4
159.11702	9.3
163.11237	1.8
165.12810	0.9
167.14339	0.9
169.12215	1.1
173.11662	4.0
175.11311	0.7
177.12744	5.5
181.12296	0.8
183.13892	2.8
187.13289	3.5
190.43530	0.7
193.12347	1.1
195.13808	14.7
195.15562	1.0
199.13353	1.8
201.15012	0.9
209.11780	1.1
213.15015	1.0
225.14928	2.5
227.12880	1.7
229.14357	16.6
230.14642	0.8
257.17569	1.8
267.13400	0.7
267.16077	2.2
269.17471	39.8
270.17831	1.4
283.15485	1.5
296.14490	0.8
297.17117	0.8
301.16562	5.1
301.20242	16.4
301.23206	1.0
357.24719	0.8
383.28223	0.7
411.27414	1.6
419.28180	1.9
423.27365	12.8
431.28030	1.0
437.28995	61.8
438.29492	2.9
445.29868	1.6
451.30460	6.2
463.30533	26.8
464.31000	2.0
495.33398	89.4
496.33707	5.3
513.30914	4.4
514.31305	1.2
607.34607	1.2
639.37463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28480	0.3
55.01865	0.5
55.05518	0.6
67.05482	0.4
71.44281	0.4
75.15425	0.3
79.05484	0.6
82.06580	0.3
89.03905	0.7
91.05434	0.5
94.06564	1.3
95.07343	0.5
96.08131	1.3
97.02892	0.6
97.06530	1.1
106.07526	0.3
106.33863	0.3
108.04461	1.0
108.08110	1.2
110.06036	1.1
110.09684	1.6
116.04958	1.6
118.00510	0.3
120.08087	1.5
122.06004	3.0
122.98060	0.3
124.07595	2.8
134.05997	0.7
136.07555	2.5
138.05453	0.4
138.09137	2.4
144.04451	3.9
146.05984	0.7
148.07529	0.6
149.07104	0.8
150.05493	1.8
152.07048	2.4
153.01811	0.5
153.05396	0.6
158.06018	0.3
158.09673	0.7
160.03964	0.5
160.07547	1.6
160.09944	0.8
162.05534	1.8
164.07083	0.7
166.08617	2.6
170.09650	0.7
172.03935	19.0
172.07542	0.5
172.11220	0.6
173.04318	0.5
173.10768	0.6
174.09180	0.6
175.08682	0.9
175.12254	0.9
176.07065	0.5
177.06575	0.3
185.08360	0.4
186.09143	4.9
187.08653	1.3
188.07108	0.9
188.09450	1.0
189.10222	0.6
190.04991	3.2
196.07547	0.5
198.09259	0.7
200.07178	0.5
200.10692	1.9
201.10278	1.2
202.08946	0.5
202.10986	3.0
203.11795	5.7
204.06564	25.9
205.06934	0.6
210.09091	0.3
212.07065	0.4
212.09274	0.5
213.08365	0.5
213.10150	2.5
214.08638	10.5
215.08136	4.6
216.08737	0.7
217.09743	1.4
217.13226	0.4
218.10556	0.4
225.10117	0.3
227.08080	0.5
227.11783	1.0
228.10255	3.8
229.09781	2.2
230.10318	1.5
231.11276	6.9
237.10277	0.4
240.08783	0.4
241.09662	2.5
242.08093	1.7
245.09200	0.9
245.12889	0.7
246.10117	0.4
247.10876	1.5
255.11278	5.2
256.09668	3.3
257.09378	1.0
257.12729	1.7
258.10104	0.5
259.10782	78.8
260.11096	2.9
265.09808	0.7
269.12747	0.4
271.10828	0.6
273.12335	6.2
283.10812	3.6
287.10306	0.7
297.12421	0.7
301.11813	60.3
302.12259	2.1
315.13455	0.5
319.12875	100.0
320.13220	3.4
325.11798	4.6
335.12262	0.4
337.13934	26.7
338.14294	0.9
343.12921	0.7
357.14539	2.9
358.14911	0.4
371.12506	0.8
486.16327	1.0
504.17523	1.1
510.18469	0.7
522.18170	0.5
533.23004	0.3
584.27374	0.3
643.23212	0.4
647.27069	0.6
657.25500	1.3
675.26587	8.0
676.26331	0.9
721.03491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01875	1.2
55.05508	3.6
57.03428	2.9
61.02930	3.7
65.03912	0.5
67.05502	8.0
68.05824	1.1
69.03419	2.6
69.07056	2.5
70.72899	0.6
71.01353	0.7
71.05008	1.4
73.02913	2.8
79.05489	9.5
80.05816	0.8
80.19344	0.4
81.03407	5.3
81.07055	10.8
81.07502	0.8
82.07401	1.4
83.04987	2.6
83.08612	2.3
85.02906	5.6
85.06558	0.9
89.93935	0.5
91.03972	2.2
91.05478	5.8
92.05842	0.8
93.07047	8.1
93.07612	0.7
94.07391	0.9
95.04963	3.9
95.08604	3.1
97.02897	3.6
97.06507	1.1
97.10175	1.2
98.10527	0.4
99.04456	0.8
101.02377	0.9
105.07039	4.0
107.04982	1.8
107.08613	3.9
108.08958	0.7
109.02902	0.5
109.06571	0.5
109.10179	1.8
111.04463	0.7
111.08094	0.6
115.04027	0.5
117.07037	1.6
118.07321	0.4
119.08606	3.0
121.06537	0.9
121.10181	1.9
122.10490	0.5
123.08117	0.5
123.11747	0.6
125.09654	0.7
127.03909	0.8
129.05502	1.4
129.07024	1.5
131.08597	1.8
133.10138	2.9
133.87666	0.5
134.10431	0.6
135.08049	0.5
135.11728	1.7
136.11952	0.4
138.67349	0.5
139.52530	0.4
143.07079	0.5
143.08589	0.8
145.10143	1.3
147.11723	2.8
149.09644	0.7
149.13321	1.3
150.13611	0.5
155.08678	0.5
157.08678	0.6
157.10056	0.8
159.11717	0.9
163.11227	1.1
164.11609	0.6
165.12816	0.5
171.11739	1.6
185.04323	0.6
189.11179	0.4
189.12805	0.5
192.11133	0.5
193.12300	1.4
195.13864	0.8
199.13327	1.0
209.11774	0.9
209.79523	0.5
211.13316	0.8
227.12830	0.8
243.08429	2.2
247.13155	1.3
251.12744	0.6
267.16061	0.5
269.17462	4.1
270.17792	3.2
281.17459	0.7
283.15527	1.1
284.15939	0.9
284.49356	0.5
285.16980	0.8
301.16449	1.9
302.16727	1.4
303.16028	0.7
394.26480	0.5
412.27573	0.8
423.27475	0.6
424.27780	1.5
460.27914	1.1
465.21045	8.5
469.20331	5.0
477.28601	1.6
478.28769	5.2
479.30118	1.5
495.29749	1.3
496.29749	6.5
622.32904	1.3
640.33929	1.4
663.83264	0.5
693.34515	100.0
694.34802	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	693.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01869	1.6
55.05510	3.8
57.03433	2.3
60.92609	0.4
61.02924	3.2
62.73721	0.4
67.05502	9.2
68.05827	0.9
69.03427	2.6
69.07074	2.3
69.32839	1.3
71.04997	1.2
73.02913	3.2
75.37371	0.4
79.05490	7.2
80.05837	0.8
81.03423	4.5
81.07056	9.2
82.07394	1.4
83.04993	2.6
83.08633	2.4
84.08986	0.4
85.02905	5.4
87.04468	0.6
91.03950	2.6
91.05476	7.2
92.05834	0.7
93.03498	0.5
93.07049	8.4
94.07378	1.2
95.04973	3.7
95.08601	4.0
97.02905	4.1
97.06545	1.6
97.10165	1.5
99.04511	0.6
101.02381	1.7
105.07028	4.0
107.04953	1.0
107.08595	3.8
108.08968	0.5
109.02874	0.8
109.06535	1.1
109.10166	1.2
111.04451	0.6
111.08044	0.7
115.03937	0.4
117.07030	1.7
118.07304	0.5
119.08572	2.8
121.06535	0.6
121.10154	1.8
122.10451	0.8
123.06609	0.4
123.08097	0.9
125.09597	0.5
127.03944	1.4
129.05513	1.4
129.07011	2.0
131.08601	1.5
133.10123	2.5
135.11739	1.6
136.11998	0.4
143.07008	0.5
143.08606	0.6
145.10168	1.4
147.11714	2.5
149.09619	0.5
149.13307	1.6
150.13632	1.0
151.11180	0.5
153.12756	0.6
157.10181	1.2
159.11711	0.6
163.11182	1.4
171.11731	1.0
175.11252	0.6
189.12863	0.4
193.12317	1.4
195.13858	1.2
196.14163	0.7
207.13815	0.8
209.11830	0.8
211.13329	1.0
227.12935	0.7
241.07088	0.4
243.08356	2.1
247.13139	1.4
251.12708	1.1
267.15991	0.9
269.12894	0.4
269.17499	3.4
270.17831	2.8
283.15518	1.5
284.15848	1.0
285.16812	0.5
301.16577	1.7
302.16824	1.0
303.15860	0.7
365.11124	0.4
412.27826	0.6
424.27863	1.3
431.00201	0.4
459.27405	0.7
460.27689	1.0
465.21021	9.3
469.20444	4.8
477.28534	1.3
478.28522	4.1
479.30087	1.6
495.29581	1.4
496.29880	5.5
622.33215	1.4
640.34119	0.6
693.34546	100.0
694.35022	6.4
701.15631	0.4
715.32227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05510	8.9
57.03442	5.6
57.07069	3.0
61.02637	1.4
61.02930	21.2
65.03936	1.1
67.05507	52.8
67.55062	0.8
69.03432	2.1
69.07073	9.2
69.70807	3.1
71.04996	2.1
71.08630	1.5
73.02915	7.2
74.68162	1.0
75.04478	1.1
79.05499	29.4
81.03409	1.8
81.07059	56.1
81.81969	0.8
82.07393	1.7
83.04972	1.4
83.08621	6.5
85.02908	26.0
85.06550	3.6
91.03957	22.4
91.05486	15.7
93.06445	1.7
93.07046	43.0
95.04953	3.4
95.08608	46.0
97.02892	14.6
97.06534	2.3
97.10191	2.7
99.04456	2.1
99.08111	2.0
105.04540	1.2
105.07030	13.0
107.08598	28.5
109.02898	1.1
109.06519	1.2
109.10155	26.8
110.10481	0.9
111.08115	1.0
111.11732	1.6
113.09652	1.3
115.03900	1.5
117.07033	6.3
119.08599	11.8
121.10146	27.9
123.08088	1.5
123.11721	16.1
125.09666	1.0
127.03934	9.6
131.08563	15.2
133.10130	13.4
135.10637	1.2
135.11696	25.3
136.12140	0.9
137.09570	1.9
137.13237	5.6
139.11238	1.6
145.04979	13.5
145.10126	12.7
147.11681	10.1
149.13260	19.5
151.11211	1.8
151.14745	1.4
153.12831	1.0
159.11687	10.9
161.13248	8.4
161.87273	1.0
163.06026	20.8
163.11230	1.3
163.14815	14.6
165.12738	2.5
173.13254	13.3
175.14810	3.4
177.12761	2.5
177.16400	5.7
179.14365	2.5
184.11969	0.8
187.14853	6.5
188.33275	0.8
191.14360	1.5
193.12064	0.9
201.16389	2.9
205.15894	1.8
212.72272	0.8
215.18001	1.6
219.17458	1.0
233.22665	3.1
243.18579	1.9
243.21089	35.2
244.21449	1.3
261.22141	100.0
262.22321	4.2
263.23700	2.0
279.23199	2.5
335.25800	16.9
336.25974	1.1
353.26868	57.0
354.27179	2.4
439.29938	1.0
479.29831	1.2
694.32837	5.1
695.35046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60518	1.0
53.03949	2.6
55.01885	2.5
55.05289	1.6
55.05521	16.4
55.56415	1.1
57.03442	16.1
57.07079	2.6
59.05003	2.5
61.02931	5.4
65.03948	2.2
67.05512	75.3
69.03439	5.4
69.07072	15.4
69.86717	1.5
69.87045	2.8
71.04993	13.0
73.02926	1.3
73.06573	1.9
79.05503	41.5
81.03428	54.4
81.07065	100.0
82.03797	1.8
83.04987	15.8
83.08627	30.8
85.02915	26.8
85.06552	12.9
86.09724	3.0
87.04491	1.5
91.03977	2.1
91.05489	41.8
93.07053	39.8
94.07378	1.3
95.04980	28.9
95.08613	20.9
97.02895	6.0
97.06544	9.1
97.10178	6.2
98.23227	2.6
98.96234	1.4
99.08123	2.9
105.04541	2.9
105.07049	28.1
107.04963	9.4
107.08608	20.7
109.06539	8.4
109.10168	11.1
111.04454	2.6
111.08096	13.9
113.06020	3.8
117.07010	9.0
119.08595	18.5
120.08933	1.6
121.06520	3.3
121.10154	13.8
123.08092	2.4
123.11720	11.1
125.00000	2.5
125.09664	2.7
127.04001	1.3
129.07031	10.1
131.08589	17.2
133.06519	2.2
133.10153	24.4
134.10454	2.1
135.08096	3.3
135.11726	7.1
137.09647	2.0
139.11179	1.3
142.07799	2.8
143.08508	1.4
145.10112	2.6
147.08070	3.2
147.11716	13.0
149.09622	7.2
149.13268	10.6
151.11241	6.6
153.82967	1.2
157.10155	12.5
159.11687	9.3
163.11205	2.5
165.12749	2.1
169.12199	1.5
173.04501	1.6
175.11205	15.5
177.12804	3.3
184.07365	9.7
187.13324	6.5
193.12267	35.0
194.12521	2.6
195.13824	5.6
211.13322	37.4
212.13661	4.0
213.14897	2.2
215.12274	1.2
219.13850	4.1
228.57378	1.2
243.15944	23.3
244.49516	1.3
245.74965	1.3
255.15901	1.6
267.15970	29.9
268.16403	2.3
269.17517	19.7
271.43781	1.2
285.16992	31.3
286.17374	2.9
287.18564	23.6
293.17453	4.1
311.18524	1.8
369.24176	2.8
387.25296	3.0
405.26147	3.7
421.25735	2.8
435.21686	2.2
435.27469	32.4
439.26895	5.7
443.27945	3.0
447.27496	3.5
453.28531	81.5
454.28943	3.6
455.29776	1.4
460.28040	1.4
461.28976	38.9
462.29187	1.6
465.28448	2.4
478.28790	1.6
479.30170	48.0
480.30484	3.2
495.28973	1.9
497.31155	36.9
498.30713	1.9
597.32599	1.5
623.34094	3.2
641.35455	2.1
694.38501	4.6
695.31946	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	694.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.9
53.03944	4.1
55.01866	4.9
55.05511	34.5
57.03431	13.0
57.07063	3.3
60.08131	3.2
65.03940	3.4
67.05505	92.2
69.03426	4.3
69.07068	41.9
69.13908	20.0
71.04987	4.0
71.08627	3.7
75.93507	2.6
79.05497	67.7
81.03419	9.1
81.07059	100.0
83.04975	14.0
83.08620	19.1
86.09709	5.4
91.05482	64.7
93.07044	75.2
95.04961	20.3
95.08612	49.8
95.09204	3.4
97.06535	20.4
97.10198	8.9
98.22598	5.5
99.08121	4.3
105.04515	3.8
105.07027	45.7
105.62318	2.8
107.04946	10.4
107.08588	44.3
109.06525	10.6
109.10181	17.4
111.03738	2.8
111.08097	9.8
117.07018	23.9
119.08584	37.4
121.06487	5.2
121.10133	26.7
123.08076	7.2
123.11707	8.2
125.00019	4.4
125.09654	6.5
129.07016	5.7
131.08597	26.1
133.10146	36.2
135.08098	5.5
135.11674	27.0
137.09592	5.4
138.65889	2.8
139.47060	2.7
141.06947	3.2
143.08588	9.2
145.10144	23.8
147.11682	19.9
149.09641	16.5
149.13255	12.9
151.11163	3.9
155.08585	5.9
157.10193	10.4
157.12071	3.2
159.11708	18.2
161.09543	3.5
161.13235	9.0
163.11188	12.1
165.12779	5.8
169.09979	4.6
171.11740	8.5
173.13245	9.6
177.12730	7.4
179.14247	4.0
181.12231	3.1
183.11740	5.3
184.07370	22.7
227.12706	5.0
229.19551	4.0
247.20610	6.2
255.16020	19.2
257.19095	10.4
269.17441	33.3
275.20078	40.6
293.21164	3.4
349.23734	29.3
367.24789	5.8
404.50668	3.3
449.29053	22.9
463.30579	24.1
483.79294	3.5
543.36755	21.6
561.38184	6.4
623.43005	4.3
641.44897	4.4
647.25531	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	695.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01872	0.4
55.05500	1.5
57.03440	2.1
61.02929	3.3
65.76608	0.3
67.05505	3.0
69.03437	2.0
69.07056	0.9
71.01358	0.6
71.05000	1.2
73.02918	2.6
79.05494	3.1
81.03410	5.0
81.07056	3.3
83.04979	1.0
83.08629	1.5
85.02905	5.1
87.04431	0.4
87.10057	0.4
91.03974	2.0
91.05477	2.9
93.07037	3.2
94.07327	0.3
95.04953	2.2
95.08594	2.5
97.02899	3.4
97.06524	0.5
97.10247	0.3
99.04468	0.8
101.02391	1.1
105.07044	1.9
107.04981	1.0
107.08593	2.2
109.02910	0.8
109.06564	0.5
109.10166	1.1
111.04446	0.3
111.08064	0.8
117.07074	0.5
119.08572	1.6
121.06522	0.4
121.10154	1.4
125.00081	0.4
127.03925	1.0
129.07007	0.5
131.08578	1.1
133.10133	1.6
135.08076	0.3
135.11685	3.1
138.10634	0.3
145.10147	1.5
147.08104	0.4
147.11700	1.5
149.09639	0.5
157.10156	1.1
163.11185	3.5
175.11212	1.0
181.36482	0.3
184.07394	0.7
185.04387	0.5
193.12233	1.7
211.13336	0.8
219.09892	0.6
227.12733	3.5
243.08394	2.4
249.10992	9.3
251.12645	0.8
267.15997	0.7
272.44275	0.4
305.13568	1.6
307.15097	0.7
355.22702	0.3
357.45450	0.3
461.28625	0.5
462.29465	0.8
467.18878	9.3
469.20480	10.8
470.20575	0.5
498.30780	0.5
533.27277	0.7
695.32385	100.0
696.32758	5.8
704.64362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3253
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03949	0.4
55.01864	0.7
55.05513	1.7
55.89169	0.2
57.03440	2.3
59.05003	0.3
61.02928	4.5
67.05505	4.4
68.05827	0.3
69.03426	2.6
69.07071	0.9
71.04988	0.9
71.71983	0.2
73.02913	2.9
79.05488	3.8
80.05835	0.3
81.03420	6.8
81.07056	4.8
82.03773	0.3
83.01343	0.3
83.05000	1.5
83.08626	2.1
84.05308	0.3
85.02908	5.8
85.06561	0.3
86.09729	0.7
86.54025	0.2
87.90531	0.3
91.03960	2.1
91.05482	3.6
92.05816	0.4
93.07045	3.8
94.07403	0.5
95.04967	2.2
95.08605	1.6
97.02892	4.0
97.06521	0.6
98.23435	0.6
99.04450	0.6
101.02383	1.6
103.03970	0.5
105.07024	2.0
107.04980	1.0
107.08590	1.8
109.02894	0.6
109.06492	0.5
109.10123	1.3
111.04478	0.4
111.08089	0.9
113.47295	0.3
115.03925	0.4
117.07040	0.9
119.08567	1.9
121.06509	0.4
121.10135	1.8
123.08112	0.8
123.11659	0.3
125.00025	0.5
125.09653	0.3
127.03951	1.1
129.07021	0.9
131.08585	1.0
133.10123	1.2
135.11693	1.6
137.09654	0.4
142.07808	0.3
145.10146	1.2
147.08069	0.5
147.11716	1.1
149.09660	0.7
149.13258	0.9
157.10175	0.9
158.10526	0.2
159.11768	0.3
163.11169	2.2
175.11195	1.0
181.12280	0.3
184.07362	1.6
185.04291	0.4
193.12283	1.9
194.12666	0.4
203.05316	0.4
209.11732	0.4
211.13380	0.6
243.08411	1.9
249.10992	0.8
251.12595	1.3
267.15961	2.3
268.16287	1.3
269.17453	2.0
270.17957	1.0
276.94800	0.3
283.15384	0.7
285.16992	0.4
287.18381	0.4
307.15286	0.5
412.79745	0.3
439.27032	0.4
444.27594	0.3
448.27713	0.3
453.28186	0.3
461.28940	2.8
462.29248	3.8
465.29111	0.3
466.28769	0.3
467.18893	7.6
468.19122	0.3
469.20422	5.3
497.30908	0.4
498.31323	0.5
573.20801	0.6
695.32379	100.0
696.32764	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	696.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22693	0.8
53.03951	2.5
55.01880	2.4
55.05514	6.5
55.13126	0.8
57.03442	11.8
57.51224	0.7
61.02927	0.9
65.03941	1.2
67.05513	15.1
69.03440	3.0
69.07073	5.5
71.05002	2.9
77.03915	0.9
77.58873	0.8
78.66919	0.8
79.05503	13.7
81.03424	100.0
81.07059	11.0
83.04994	6.4
83.08630	8.7
85.02908	8.9
85.06576	0.9
90.86242	0.8
91.05491	33.7
93.07044	16.7
95.04971	14.3
95.08612	10.1
97.02911	3.1
97.06513	1.2
97.10179	2.8
98.23418	2.6
105.07034	10.2
107.04990	4.5
107.08616	2.8
109.06529	3.0
109.10168	6.1
111.04510	0.8
111.08097	4.4
115.05461	1.3
117.07029	3.8
119.04953	1.0
119.08590	37.9
120.08936	0.8
121.06510	6.8
121.10153	4.5
123.08089	3.3
125.05997	1.0
125.09621	2.9
129.07019	7.2
131.08594	4.6
133.06511	2.0
133.10141	2.9
135.08057	1.8
137.09622	19.4
141.07024	0.9
142.07753	1.5
143.08539	1.3
145.06497	3.0
145.10110	1.6
147.08070	7.0
147.11667	4.5
149.09663	4.1
157.10144	6.8
161.09665	1.3
163.11198	2.1
165.09113	15.4
165.12714	1.4
169.10156	1.6
171.08093	1.1
173.09587	1.3
175.11165	6.9
177.09148	1.0
183.07912	0.9
183.10228	2.9
184.07475	1.0
185.09700	1.3
193.12254	16.9
199.11217	1.0
209.09698	1.2
211.11491	1.1
211.13237	5.2
227.10652	3.5
227.14505	1.5
239.12785	51.3
240.13080	1.1
249.14761	1.1
257.13824	7.6
267.15918	44.5
268.16318	1.3
273.14902	2.6
285.16965	5.4
311.20059	1.8
313.18060	3.0
321.18524	1.6
329.21216	2.4
339.19580	8.6
357.20731	9.1
375.21686	1.7
387.22003	1.9
405.22778	15.6
413.23331	5.9
431.24335	64.3
432.24615	2.5
449.25415	39.8
449.30948	0.8
450.25504	1.5
463.26932	1.2
481.28217	1.0
491.26111	1.6
501.54135	0.9
697.33582	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	696.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
53.99838	1.8
54.57492	1.7
55.01868	8.9
55.05263	2.4
55.05511	37.9
57.03437	11.9
57.07080	3.0
65.03928	6.1
67.05508	91.7
69.03416	3.9
69.07073	36.5
69.74219	6.7
71.05000	5.3
71.08636	13.1
77.03906	2.6
79.05495	66.4
81.03430	11.5
81.07061	100.0
83.04976	16.7
83.08626	22.2
85.06531	4.6
91.04942	3.8
91.05483	62.2
93.07050	66.4
95.04981	20.7
95.08028	2.6
95.08611	40.3
97.06541	15.5
97.10156	7.3
99.08096	11.2
105.04532	6.2
105.07038	44.9
107.04939	6.4
107.07921	3.5
107.08591	37.7
109.06506	5.2
109.10153	16.6
111.08054	6.2
115.05467	3.6
117.07014	20.1
119.08582	33.3
121.06503	5.3
121.10162	20.4
123.08053	3.6
123.11720	5.1
125.09625	6.5
128.06250	3.3
129.06999	8.9
131.08571	26.8
133.06529	3.0
133.10120	20.4
135.08044	6.5
135.11697	17.3
137.09604	4.0
141.06981	2.1
142.07767	2.4
143.08556	7.1
145.10143	16.9
147.11671	16.4
149.09625	8.2
149.13257	16.3
151.11191	13.9
155.08513	2.2
157.10130	5.5
159.11697	15.5
161.13269	8.3
163.11171	12.2
165.12766	5.1
171.11652	4.5
173.13269	6.1
175.14812	3.2
177.12724	5.7
178.39615	1.9
179.14328	4.7
183.11667	3.1
185.13254	2.8
187.11209	2.5
189.11211	3.2
195.13745	9.7
199.14861	3.1
227.12563	4.7
229.19447	2.1
241.19560	2.4
251.16470	2.9
255.15901	7.2
257.18933	3.1
259.20673	3.7
269.17459	31.3
275.20087	16.4
277.21655	11.5
293.20956	3.5
314.51682	2.1
349.23819	14.1
351.25421	16.9
353.41272	2.2
367.24530	4.6
449.28870	14.8
463.24445	2.7
463.30618	32.5
491.37354	3.0
494.05557	1.9
505.39005	4.1
523.14923	2.2
525.35712	3.0
531.36536	3.1
543.36719	16.8
545.38208	10.5
547.93512	1.9
561.37598	6.2
563.39343	2.5
625.44623	2.5
697.42682	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	696.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01870	10.1
55.05510	38.9
57.03432	11.3
57.07063	5.5
65.03931	5.6
67.05504	96.6
68.27789	2.1
69.03416	2.9
69.05872	1.9
69.07063	42.8
71.04992	7.0
71.08627	16.9
71.43622	2.0
72.25567	2.2
79.05491	79.2
81.03415	9.6
81.07051	100.0
83.04977	16.7
83.08620	24.3
85.06539	6.7
87.81638	1.9
91.05476	59.7
93.07042	82.8
95.04975	24.1
95.08606	44.2
97.06522	17.0
97.10165	9.1
99.08069	11.0
103.05482	2.4
103.14250	2.3
105.04527	4.4
105.07023	42.8
107.04943	7.5
107.08592	38.6
107.09271	4.1
109.06507	8.2
109.10140	18.6
111.08063	7.7
113.09641	2.8
115.05461	3.3
117.07018	21.2
119.08575	33.4
121.06483	4.6
121.10137	24.1
123.08046	3.9
123.11710	6.8
123.40048	1.9
125.09605	6.2
129.06981	10.3
131.08571	21.5
133.10129	31.7
135.08029	5.7
135.11667	18.6
137.09608	5.8
139.11153	2.8
143.08563	7.5
145.10121	17.8
147.08051	3.4
147.11691	9.7
149.09612	8.0
149.13245	23.4
151.11185	14.2
155.08546	4.3
157.10123	9.5
159.11703	12.6
161.09660	3.5
161.13260	7.4
163.11157	11.6
165.12790	3.4
169.10052	2.2
171.11688	3.9
173.13284	4.5
174.36852	2.1
177.12711	7.6
179.14334	6.7
181.12109	2.8
185.13367	2.4
195.12018	2.2
195.13788	9.6
197.13240	3.8
227.12747	4.6
249.22218	2.0
250.99162	2.0
251.16388	2.3
255.15771	9.8
257.18915	5.1
259.20517	4.9
267.16000	3.0
269.17465	39.0
275.20016	19.8
277.21579	12.8
293.21149	2.5
349.23883	10.2
351.25366	18.2
367.24634	3.2
369.26077	3.5
384.72250	2.3
401.28317	2.6
441.53882	2.6
445.29388	3.6
447.31140	3.8
449.28751	14.4
463.30569	31.9
505.38739	2.7
527.37244	4.0
531.36493	2.9
543.36719	13.6
545.38196	14.6
546.38525	2.3
549.36523	2.5
561.37781	4.0
625.45355	3.2
696.44080	2.6
697.42670	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	697.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55252	0.2
67.34098	0.3
69.90253	0.6
69.90636	0.6
76.82388	0.3
84.43530	0.2
94.93004	1.6
112.19219	0.3
136.94025	14.6
148.94048	2.1
166.95082	3.1
196.96223	1.5
197.84146	0.2
206.98203	16.3
222.96814	1.3
240.97928	0.4
250.90210	0.2
256.98059	1.5
266.99423	0.5
349.09140	0.6
387.04501	100.0
388.05035	1.9
405.04904	0.5
447.05804	1.8
517.10370	0.5
543.62640	0.3
616.96381	0.3
697.16254	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	697.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97274	0.5
55.05509	0.5
57.03424	0.7
61.02935	0.8
62.71554	0.4
65.93984	0.5
67.05499	1.3
69.03446	0.9
69.07082	0.5
69.69429	1.8
71.05006	0.5
73.02914	1.1
79.05486	0.8
81.03394	0.5
81.07065	1.9
85.02930	1.7
91.05495	1.1
93.07023	1.0
95.08620	1.6
97.02913	1.1
98.23190	1.6
107.08598	0.7
109.10146	0.8
135.11789	0.6
175.83005	0.4
178.28087	0.5
182.07475	0.5
185.04184	0.6
235.13110	0.6
267.09189	1.3
269.10437	1.1
278.05325	0.5
285.10062	1.4
287.11578	0.8
301.09042	1.0
373.10876	0.6
381.53619	0.5
385.18350	0.6
441.17267	0.6
441.28595	0.7
453.21262	3.3
469.20227	0.6
485.17636	2.0
487.18332	1.4
625.32440	1.3
651.33423	1.0
653.32324	0.9
679.31604	0.9
697.32477	100.0
698.32690	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	697.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.5
55.05505	1.2
56.60421	0.4
56.96562	0.8
57.03421	0.7
60.75457	0.4
61.02932	2.6
67.05505	4.0
69.03424	1.5
69.07082	0.8
69.48921	1.7
71.04984	1.7
73.02911	2.2
79.05490	1.8
81.03436	1.0
81.07071	4.0
83.05008	0.6
83.08601	0.7
85.02911	2.9
85.06574	0.5
87.04459	0.7
87.85585	0.4
91.03964	1.4
91.05502	1.7
93.07061	2.7
95.04990	0.6
95.08607	3.1
96.08920	0.5
97.02897	2.6
98.22776	1.0
98.23380	1.0
98.97549	0.6
101.02389	0.8
105.07041	1.1
107.08604	1.4
109.10201	0.9
119.08614	0.8
121.10155	0.9
127.03901	0.8
131.00191	0.9
132.17912	0.4
133.10110	1.1
135.08109	0.5
135.11711	1.1
145.04913	0.5
149.09656	0.7
149.13222	0.5
152.27802	0.5
159.11761	0.5
163.11237	0.6
185.04277	1.1
189.98997	0.5
220.43407	0.4
235.13100	1.0
243.08388	1.7
261.14664	0.5
267.09097	2.0
268.02344	0.5
269.10593	1.1
275.16162	0.5
282.34058	0.4
285.10150	1.8
291.15128	0.5
293.05502	0.4
301.08972	3.4
315.10562	0.8
373.11102	2.0
379.17090	0.6
385.18436	1.5
387.12677	0.6
438.29349	0.8
442.28751	1.3
453.20911	5.0
467.18814	1.3
467.29877	0.7
468.30505	0.6
469.19879	1.4
482.31464	0.5
483.21582	0.7
484.22485	0.7
485.17389	1.0
487.18265	1.3
500.32935	1.1
512.22272	0.7
525.22931	1.8
567.31287	1.3
568.32556	0.5
590.25354	0.5
595.30756	0.8
596.31421	1.4
625.31885	2.0
651.33099	1.6
653.31067	0.5
679.32733	2.4
697.32678	100.0
698.32886	7.7
714.69220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79712	0.5
54.81571	0.5
55.01858	0.6
55.05502	1.1
56.96550	0.5
57.03424	0.7
61.02914	1.9
67.05501	3.9
69.03423	1.1
69.07086	0.9
71.04992	0.9
73.02918	1.7
76.94778	0.5
79.05511	1.8
80.71989	0.4
81.03426	1.2
81.07050	3.6
83.04990	1.0
83.08629	0.8
85.02902	1.7
91.03963	1.8
91.05480	1.4
93.07057	2.2
95.04979	0.7
95.08592	2.3
97.02885	1.6
97.06529	0.6
98.23510	0.8
101.02372	0.9
105.07026	0.8
107.08605	1.6
109.02893	0.6
109.10140	0.7
111.08089	0.6
114.64643	0.5
115.71719	0.5
117.07011	0.5
117.96638	0.4
121.10156	0.6
122.10474	0.5
127.03939	0.8
131.00214	0.7
131.08507	0.6
133.10112	1.0
159.11743	0.6
185.04279	1.1
195.13757	0.7
201.03798	0.5
235.12941	0.9
243.08392	1.4
265.14145	0.5
267.09235	1.1
269.10516	0.6
269.17645	0.6
285.10074	0.8
301.08997	3.5
315.10599	0.6
373.11035	1.8
385.18472	1.7
387.12897	0.6
413.17957	0.7
423.20181	0.6
437.28760	0.6
441.28085	0.6
442.28952	1.5
443.19073	0.6
453.21008	4.7
464.31342	0.5
467.18933	0.8
468.30640	0.8
469.20020	1.5
484.22916	0.7
485.17429	2.0
500.32870	1.0
512.22778	0.7
525.22949	0.9
556.93597	0.5
567.30994	1.4
568.31934	0.6
595.30640	0.6
596.31476	1.3
625.31738	1.6
651.33685	2.7
679.32220	2.0
697.32617	100.0
698.33057	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80895	0.7
51.97374	0.8
55.01866	1.0
57.03434	3.5
59.04997	1.1
61.02922	7.4
62.68592	0.8
67.05505	8.4
69.03433	4.5
69.07064	1.4
69.69682	2.6
71.04985	1.4
73.02916	3.5
79.05492	2.8
81.03414	2.2
81.07063	5.8
82.78892	0.8
83.08617	2.4
85.02899	7.4
87.04457	1.2
89.75732	0.8
91.03960	5.2
91.05483	2.4
93.07039	3.2
95.08610	1.6
97.02888	5.8
97.06528	1.5
98.22750	1.6
101.02370	2.0
104.50372	0.8
105.07058	1.1
107.08619	1.8
109.02849	0.9
109.10163	5.8
119.08606	1.0
121.10119	1.3
127.03912	2.2
129.05511	1.4
131.08536	1.4
133.10138	1.2
135.11618	1.4
145.04990	1.2
149.13295	1.2
154.35326	0.9
155.10634	0.9
173.11653	1.3
185.04239	3.2
195.09904	2.3
195.13905	1.1
201.03716	2.0
203.05296	1.7
214.44659	1.0
229.14394	0.9
235.13037	2.2
243.08504	4.4
301.08859	5.0
307.15073	1.4
311.30838	0.9
315.10443	2.2
343.13339	1.1
360.10025	1.1
363.21359	1.7
371.16754	4.1
373.11072	2.3
385.18283	1.7
413.17804	14.5
425.21457	3.3
429.17227	2.4
453.20944	10.7
457.20502	0.9
463.26794	1.5
469.20444	1.1
484.22589	2.9
485.19370	7.1
499.21411	3.2
527.24866	1.3
541.26154	3.8
553.30054	2.2
567.31372	25.4
568.32141	3.0
596.31616	16.3
597.32526	1.8
624.34546	1.3
625.31940	100.0
626.32153	8.0
628.30664	1.4
651.33362	6.9
653.34564	1.7
669.34210	1.3
697.34058	51.9
698.34631	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	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27805	0.5
55.01860	0.7
55.05515	1.4
57.03423	1.8
61.02927	2.5
64.40487	0.5
67.05500	3.1
69.03432	1.7
69.07064	1.4
70.70510	0.9
71.04982	1.0
73.02922	2.3
76.08533	0.5
76.47652	0.6
78.74464	0.5
79.05496	2.0
81.03442	1.4
81.07065	3.4
83.05038	0.7
83.08619	0.6
84.30531	0.7
85.02910	3.0
87.87318	0.5
91.03969	3.0
91.05489	1.3
93.07056	2.0
95.04983	0.7
95.08624	1.6
96.01865	0.7
97.02901	3.4
99.04445	0.9
101.02396	0.9
105.07060	0.6
107.08583	1.5
109.02882	1.0
109.10180	0.8
117.05542	0.7
121.10160	0.7
123.04226	0.8
123.11812	0.6
127.03909	1.3
129.05493	1.8
149.13139	0.6
159.11713	0.8
163.11276	0.6
166.10081	0.5
178.37584	0.5
181.04909	0.6
184.03532	0.9
185.04196	4.7
195.13814	0.6
199.05869	0.6
199.68007	0.5
201.03767	2.2
203.05347	0.6
235.13057	4.1
243.08319	3.1
265.14258	0.7
275.16092	1.3
295.52542	0.6
301.08929	14.1
313.09177	0.7
315.10428	2.9
327.10544	1.1
333.16742	3.8
341.12146	1.8
347.18500	0.7
357.15106	0.8
371.16983	1.2
373.10925	5.2
379.17328	3.4
383.16986	2.7
385.18204	6.3
387.12888	1.7
397.18643	0.8
417.26071	3.2
425.21664	1.8
429.17773	1.1
441.69333	0.6
443.18994	4.3
453.20963	9.8
454.21573	0.7
457.20541	1.1
469.20627	3.5
483.22125	1.9
484.23077	1.2
500.32925	1.0
505.71426	0.6
512.22260	2.3
525.22894	5.7
527.28265	1.0
539.24847	2.1
553.26270	1.6
567.31750	8.1
568.32031	1.4
595.30719	4.7
596.31561	1.3
609.32312	0.9
625.31995	1.8
635.34241	0.9
637.32098	0.8
651.33539	10.8
652.33740	1.1
679.32910	2.2
697.33990	100.0
698.34064	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29513	1.0
53.03956	0.9
55.01871	1.0
55.05510	1.2
57.03433	2.5
60.19527	1.1
61.02941	6.4
65.90339	0.8
67.05505	9.6
69.03424	2.5
69.73628	3.3
71.04999	1.1
72.78130	0.9
73.02916	4.9
79.05482	1.0
81.03439	1.6
81.07053	4.3
83.08630	2.0
85.02914	6.2
91.03947	3.2
91.05481	1.0
93.07053	3.1
95.08585	1.2
97.02883	6.9
101.02377	2.3
107.08569	1.8
109.10160	9.7
122.00230	0.9
127.03909	1.8
129.05557	1.6
166.49089	0.9
173.11760	3.0
185.04259	3.2
195.10031	1.3
203.05341	1.2
229.14366	2.7
235.13086	1.8
243.08368	4.6
301.08987	4.1
315.10562	2.1
327.26334	1.0
369.15271	1.0
371.16730	3.3
373.11139	3.1
385.18292	3.4
413.17780	19.6
425.21448	3.5
429.17734	1.8
453.20798	5.9
463.26437	2.2
484.22733	3.1
485.19839	5.7
497.23465	1.7
499.21356	2.7
541.26276	3.3
553.29437	1.5
567.31458	21.7
568.31805	3.7
596.31671	15.6
597.31976	1.3
625.31952	100.0
626.32001	6.9
628.29767	1.2
651.33313	5.8
653.34808	1.2
697.33997	50.1
698.34222	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	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01867	0.4
55.05507	0.9
57.03432	1.5
61.02923	4.4
67.05508	1.4
69.03428	2.5
69.07063	0.7
70.52513	0.3
70.52854	0.3
71.01364	0.3
71.05015	0.6
73.02909	2.8
79.05483	1.9
81.03418	5.0
81.07055	2.7
83.04978	0.9
83.08614	1.3
84.50439	0.2
85.02905	6.4
91.03947	2.7
91.05473	3.1
93.07033	1.3
95.04959	1.9
95.08640	0.5
97.02888	3.8
97.03479	0.3
97.06535	0.6
99.04453	0.6
101.02376	1.3
101.02977	0.2
103.03924	0.3
105.07028	2.1
107.04972	0.6
107.08586	0.8
109.02891	0.9
109.06531	0.5
109.10182	0.3
111.04436	0.3
111.08084	0.7
115.03973	0.4
117.06978	0.2
119.08578	1.9
121.10160	0.9
123.08067	0.3
127.03901	1.2
129.07014	1.2
131.08549	1.3
133.10117	1.2
147.11690	1.3
149.09622	0.4
157.10101	1.4
175.11221	1.0
176.11348	0.2
185.04253	0.5
191.39146	0.2
193.12231	2.0
211.13354	0.7
243.08418	1.9
251.12546	1.6
285.17068	0.3
307.15134	0.7
469.20447	12.3
470.20798	0.6
535.28741	0.3
697.34009	100.0
698.34326	7.0
703.71735	0.2
706.73517	0.2
711.55365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05523	1.1
57.03452	1.3
61.02933	4.7
67.05510	2.8
69.03428	2.4
69.07082	1.4
70.66655	0.7
70.67028	0.5
71.04989	0.8
73.02931	3.1
79.00037	0.4
79.05502	2.2
81.03442	1.7
81.06656	0.7
81.07063	3.7
83.01113	0.8
83.05000	0.8
83.08666	0.9
83.29101	0.5
84.01921	0.7
85.02931	3.5
88.05262	0.4
91.03967	4.1
91.05518	1.4
93.07058	2.6
95.01099	0.8
95.08640	0.9
96.01844	0.7
97.02913	4.7
98.22965	0.9
99.04485	0.9
101.02391	0.9
105.07082	0.6
107.08650	1.6
109.02899	0.4
109.10165	0.8
110.72518	0.4
123.04281	0.5
127.03967	1.7
129.05554	1.6
131.08586	0.8
133.10178	1.1
135.11691	0.6
145.04988	0.6
149.13351	1.1
159.11644	0.5
162.75179	0.4
168.31908	0.4
169.41571	0.4
180.83994	0.5
181.04741	1.3
185.04198	4.0
195.06395	0.8
195.13847	1.1
199.05801	0.7
201.03806	1.7
201.14877	0.5
203.05415	0.8
219.16782	0.5
227.05350	0.7
235.13162	1.9
243.08437	3.1
251.12566	0.6
261.14752	1.6
269.17511	1.1
275.16348	0.6
301.08966	13.1
305.17188	0.6
315.10550	3.6
317.08646	0.5
326.45575	0.5
327.10522	1.0
329.12326	0.6
333.16830	1.7
341.12259	1.1
351.17899	0.8
357.15439	0.8
369.15256	1.0
371.16815	2.8
373.11127	8.9
379.17462	1.2
383.16858	1.9
385.18350	6.7
387.12787	2.0
388.95947	0.5
389.26297	0.5
413.18018	0.7
415.15585	0.8
417.26160	1.0
423.20139	1.6
425.21646	1.4
429.17419	2.3
443.19144	0.9
453.21027	13.6
454.21500	1.0
457.20645	1.7
469.20612	5.0
471.22559	0.6
483.21967	3.6
484.22824	3.6
485.19778	1.5
499.21622	0.7
512.22620	3.2
513.27197	0.6
525.23004	4.7
539.24493	0.7
553.27203	1.4
567.30566	1.1
568.32410	2.2
581.28271	0.7
595.31134	3.3
596.31671	3.4
609.32098	0.6
625.31659	2.3
635.33954	1.3
637.32269	0.9
639.33716	0.9
651.33539	1.7
679.32452	2.6
680.33807	1.0
697.34027	100.0
698.34320	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01880	0.4
55.05514	0.9
57.03439	1.4
61.02928	3.4
67.05505	1.9
69.03423	1.9
69.07072	0.7
71.01361	0.4
71.05006	0.6
73.02915	2.0
79.05484	1.8
81.03419	5.0
81.07063	2.0
83.04977	0.6
83.08609	1.4
85.02906	4.9
85.06569	0.3
87.04481	0.3
91.03964	2.0
91.05473	2.7
93.07041	1.6
95.04977	1.7
95.08625	1.1
97.02897	2.9
97.06544	0.6
99.04443	0.6
101.02370	1.2
103.03945	0.3
105.07018	1.3
107.04986	0.5
107.08620	0.8
108.76501	0.2
109.02923	0.5
109.06535	0.5
111.04439	0.3
111.08089	0.8
113.06085	0.3
117.07024	0.4
119.08588	1.9
121.10178	0.7
123.08045	0.4
127.03946	0.8
129.06973	0.4
131.08621	1.0
133.10147	1.2
145.05096	0.3
147.08043	0.3
147.11717	1.3
149.09688	0.7
157.10155	1.4
163.11288	0.3
165.12767	0.3
175.11249	1.2
185.04256	0.3
193.12221	3.4
199.98375	0.3
211.13290	2.1
221.11536	0.3
243.08368	2.1
251.12556	4.1
285.16953	0.4
307.15295	1.1
441.05350	0.3
451.19836	0.3
453.20837	0.4
469.20438	13.2
470.20975	1.1
535.28522	0.6
639.95215	0.3
697.33978	100.0
698.34381	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	697.377
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
52.04631	0.3
53.03944	0.4
54.48890	0.3
55.05511	1.1
57.03439	1.3
61.02933	5.3
67.05517	4.8
68.71454	0.3
69.03436	2.6
69.07082	1.3
70.14746	0.9
70.15104	0.4
71.01363	0.4
71.04996	3.5
71.31570	0.3
73.02922	3.5
74.17539	0.3
79.05501	2.1
81.03429	1.3
81.07059	6.9
83.08642	0.8
85.02911	5.0
87.04485	0.6
91.03970	3.2
91.05508	2.3
93.07045	3.8
95.05022	0.5
95.08624	1.0
97.02882	3.8
97.06567	1.2
98.23167	0.8
99.04473	0.9
101.02395	2.2
103.03997	0.4
105.07032	0.9
107.08597	2.5
108.75358	0.3
109.02907	0.8
109.10164	0.8
111.08112	0.7
115.03938	0.4
117.07021	0.7
119.85001	0.3
121.10157	1.4
123.11746	1.2
127.03910	1.8
130.68480	0.4
131.08618	1.2
131.44456	0.3
133.10120	2.4
135.11748	0.8
145.04984	0.6
149.12126	0.4
149.13275	2.2
151.11240	1.1
159.11674	2.1
177.12781	0.8
185.04193	0.7
187.13249	0.6
195.13896	0.8
195.27460	0.4
203.05246	0.5
235.13127	1.2
243.08510	2.3
257.17630	1.1
267.15796	1.2
291.15622	0.9
304.94186	0.3
323.18274	0.5
441.21228	0.4
453.20959	10.0
453.26886	0.7
454.21799	0.6
485.23630	9.4
535.32678	0.4
625.31848	1.4
654.97845	0.3
697.37701	100.0
698.38000	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.2
51.83170	0.8
53.03913	2.2
54.35633	0.8
55.01836	2.0
55.05507	17.3
57.03436	14.5
57.07038	2.3
61.02920	4.9
65.03912	2.3
67.05502	58.7
68.05820	1.3
69.03391	2.5
69.07066	16.0
71.04990	4.6
71.08602	1.7
73.02884	1.3
77.03886	1.5
79.05489	54.6
79.17918	0.6
80.05800	0.9
80.18273	0.6
81.03397	4.1
81.07053	63.2
82.07339	2.5
83.04978	5.5
83.08618	14.0
85.02909	4.5
85.06557	4.1
91.03918	1.9
91.05479	27.0
92.05792	0.9
93.07041	63.2
94.07353	0.9
95.04972	8.1
95.08602	31.1
97.02847	2.6
97.06528	6.1
97.10184	3.4
98.23487	1.7
99.08101	3.6
105.04462	3.1
105.06350	1.3
105.07021	14.2
107.04911	0.9
107.08588	27.4
109.06470	2.4
109.10157	13.1
111.08057	3.2
115.05421	0.7
117.07005	8.7
119.08578	9.7
121.06454	1.5
121.10138	25.7
123.08013	2.2
123.11719	5.6
125.09634	3.6
127.03872	1.5
127.83054	0.7
128.06215	0.8
131.08565	12.2
133.10129	15.9
135.08008	2.0
135.10762	1.1
135.11688	15.0
139.11153	1.3
143.08463	0.9
145.05133	0.9
145.10132	6.2
147.11700	4.9
149.09569	1.7
149.12117	1.0
149.13249	13.4
151.11168	1.8
159.11678	9.0
161.13194	2.2
163.11140	1.6
163.14856	0.8
171.11612	1.1
173.13329	3.8
175.14767	1.1
177.12724	3.2
179.14299	0.9
185.13255	0.8
187.14746	0.9
189.11215	1.4
195.13799	8.3
196.55260	0.7
205.19481	1.1
213.14787	1.1
215.17914	9.7
227.12732	3.8
233.18967	9.3
241.14420	5.0
245.13824	1.0
261.22061	1.0
269.17465	53.8
270.17740	1.8
277.21585	2.3
307.22656	95.3
308.23062	3.8
335.25821	3.2
351.25296	2.7
381.50955	0.7
409.30853	2.0
501.35727	100.0
502.36044	7.4
519.37024	1.4
521.35034	1.0
545.38379	3.4
605.31775	0.8
627.46228	1.3
692.86548	0.9
698.42767	1.4
699.44617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47421	0.4
53.03946	1.2
55.01868	1.5
55.05259	0.8
55.05513	11.7
57.03437	10.2
57.07065	2.2
61.02934	3.5
63.71234	0.5
65.03944	1.5
65.46986	0.5
67.05504	50.6
69.03428	1.5
69.07068	13.9
71.04990	3.7
71.08648	0.9
73.02918	1.4
77.03938	1.0
78.87602	0.4
78.88042	0.4
79.05493	44.5
81.03410	1.3
81.07056	59.3
82.07375	1.0
83.04988	3.9
83.08624	11.1
83.09077	0.4
85.02888	2.7
85.06538	3.3
91.03943	1.0
91.05480	20.2
93.07043	56.0
94.07368	1.0
95.04966	6.1
95.08604	24.8
97.02901	1.3
97.06522	5.4
97.10175	1.8
98.22730	1.4
99.08103	4.0
105.04520	2.0
105.07026	12.2
107.08595	23.7
109.06515	1.3
109.10155	9.1
111.08085	4.7
111.11782	0.7
113.09682	0.7
115.05508	0.5
117.07021	6.6
119.08576	7.8
121.06466	1.1
121.10142	27.5
122.10470	0.8
123.08075	1.2
123.11710	4.3
125.09610	1.1
129.07016	1.1
131.08563	10.4
132.08943	0.5
133.10146	9.2
135.08099	0.7
135.11697	13.8
137.09595	0.9
137.13225	0.7
139.11185	1.4
143.08559	0.6
145.10114	4.7
147.11642	4.0
149.09639	1.4
149.13254	19.7
151.11241	1.1
155.08531	0.5
157.10147	0.6
159.11690	11.3
159.12933	0.7
161.13281	1.3
163.11166	0.9
165.12842	0.5
167.14339	0.5
171.11613	0.6
173.13261	3.5
177.12761	2.9
179.68132	0.4
185.13408	0.6
187.14857	1.3
195.13791	5.9
205.19510	1.2
213.14787	0.6
215.17931	9.8
233.18999	9.1
241.92827	0.5
267.16025	1.3
269.17465	53.9
270.17871	1.9
277.21628	0.6
289.21631	0.9
307.22668	55.3
308.22995	1.8
382.93896	0.5
385.75586	0.5
409.31079	1.3
445.33655	0.6
452.26581	0.5
483.34531	0.8
501.35733	100.0
502.36020	5.4
519.36646	1.4
684.75458	0.6
698.42572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40134	0.6
53.03942	1.4
55.01873	1.9
55.05512	17.4
56.05839	0.8
57.03439	47.2
57.07072	2.4
61.02929	4.3
61.59320	0.5
65.03944	2.2
67.05506	54.9
68.05841	1.3
69.03429	2.0
69.07069	13.7
71.01350	6.6
71.04990	2.9
71.08633	1.9
73.06559	0.5
77.03937	1.1
79.05494	57.6
79.65296	0.6
80.05840	1.3
81.03428	4.3
81.07058	49.5
82.07384	1.7
83.04988	6.5
83.08618	23.6
85.02911	3.6
85.06548	1.8
91.03948	1.0
91.05481	23.2
93.07045	77.4
94.07361	2.1
95.04964	7.7
95.08607	35.7
96.08965	0.9
97.02886	1.8
97.06541	3.6
97.10172	3.0
99.04447	0.9
99.08086	3.1
103.05435	0.5
105.04510	1.9
105.07031	14.3
106.07347	0.6
107.04967	2.1
107.08594	23.8
108.08927	1.1
109.06547	1.2
109.10162	12.7
111.08093	2.2
113.05888	0.6
116.06370	0.5
117.07005	5.4
119.08590	10.0
121.06586	0.7
121.10145	54.8
122.10522	0.9
123.08112	2.7
123.11695	4.3
125.09637	1.3
129.05490	1.1
129.07002	2.0
131.08568	13.2
132.08890	1.0
133.10118	7.8
135.11700	10.3
137.09575	1.2
137.13284	0.8
139.11179	13.5
143.08560	1.8
145.10121	6.3
145.83504	0.6
147.11674	4.2
149.09615	6.5
149.13255	6.3
151.11180	1.6
157.10063	1.1
159.11691	6.1
161.13281	2.8
163.11110	0.7
163.14812	1.8
167.09262	0.7
167.10684	12.5
171.11626	1.3
173.13286	5.9
175.14809	1.2
177.12903	0.7
177.16351	0.9
182.59700	0.6
185.11780	2.1
185.13249	0.8
187.14865	1.9
189.11093	0.6
195.13852	1.1
201.16508	0.6
227.12836	0.9
227.32394	0.6
233.18974	0.9
233.22769	0.7
239.12785	4.5
241.14348	100.0
242.14661	3.3
243.21091	4.3
259.20618	1.4
259.77951	0.5
261.22144	13.5
269.17545	3.9
277.21710	1.0
307.22672	5.6
317.24667	1.7
333.24103	1.3
335.25806	40.7
336.26065	1.3
351.25446	1.4
391.29822	1.4
394.08542	0.6
409.30804	2.4
427.32114	0.8
445.33673	0.7
483.34341	1.3
501.35748	53.6
502.36255	3.7
519.36566	3.1
545.38135	1.5
660.55414	0.7
698.42383	2.3
699.43243	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	698.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01869	3.6
55.05511	16.1
57.03438	20.3
57.07064	3.3
60.06351	1.4
61.02928	6.0
65.03935	1.8
67.05503	54.9
69.03437	3.8
69.07066	21.0
71.01356	3.6
71.04991	2.4
73.02921	1.6
76.02248	1.4
77.03924	1.8
79.05493	61.8
81.03415	12.9
81.07055	56.0
82.67960	1.6
83.04967	11.2
83.08622	8.6
85.02903	5.1
85.06528	2.8
91.03948	3.0
91.05481	27.1
93.07046	71.2
95.04978	9.0
95.08610	45.4
97.02908	3.1
97.06539	5.6
97.10163	2.9
98.23524	3.4
99.08075	3.2
105.04547	2.0
105.07014	16.1
107.04968	4.9
107.08592	24.7
109.06507	2.1
109.10152	15.3
111.08113	1.6
116.06302	1.9
117.07025	5.2
119.08602	8.6
121.06507	2.0
121.10146	50.2
123.08059	6.5
123.11693	5.6
125.09628	2.8
129.06987	2.2
131.08571	21.7
133.10159	7.9
135.11693	9.9
137.09622	1.6
139.11191	5.8
145.10130	6.6
147.11699	6.3
149.09599	13.6
149.13251	5.9
151.11115	1.7
157.09987	1.8
159.11690	4.9
161.13213	3.8
163.14844	2.0
167.10667	17.2
171.11775	1.8
173.13243	4.4
187.14854	3.4
206.88525	1.7
210.68916	1.5
227.12717	2.4
227.19412	1.8
239.12895	2.4
241.14339	97.7
243.21065	4.9
261.22119	14.0
269.17511	4.2
277.21634	4.1
307.22769	2.5
317.24991	3.6
335.25800	100.0
336.26138	3.3
351.25262	3.7
409.30942	3.6
427.32104	1.8
501.35751	89.5
502.35800	5.3
519.36633	2.9
545.38104	4.3
623.33612	1.6
628.49292	1.8
646.46222	1.6
698.42957	16.6
699.43677	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	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.5
52.83966	1.6
53.03928	3.0
55.01862	5.7
55.05512	33.5
57.03444	11.5
57.07061	6.3
65.03925	3.9
67.05504	89.5
67.05865	4.2
69.03413	3.5
69.07069	31.8
69.17438	6.6
69.17855	3.7
71.04990	5.1
71.08628	22.9
79.05492	68.0
79.05947	4.0
81.03423	6.9
81.07054	100.0
83.04993	17.2
83.08614	23.7
84.04403	2.0
85.06535	4.8
91.05474	52.6
93.07046	79.8
94.07365	2.0
95.04964	19.3
95.08611	47.4
96.32128	1.8
97.06533	13.9
97.10185	9.2
99.08083	22.2
101.19300	1.6
105.07024	35.4
107.04920	3.7
107.07923	3.6
107.08593	40.9
107.09260	3.4
109.06525	7.6
109.10167	17.4
111.08075	6.3
113.09702	2.5
117.07024	17.2
119.08578	23.3
121.06496	2.7
121.10140	23.8
123.08081	4.5
123.11687	7.0
125.09622	7.9
129.07013	5.4
129.64214	1.8
131.08548	20.7
133.10118	24.2
135.08044	3.9
135.11687	17.4
137.09592	2.9
139.11176	6.2
141.12756	2.4
143.08566	7.6
145.10094	12.3
147.11696	11.9
149.09593	2.2
149.13269	21.9
151.11194	23.4
155.08583	1.9
157.10149	3.3
159.11681	13.3
161.13272	11.8
163.11198	14.1
165.12752	5.2
169.10043	1.8
171.11670	6.0
173.11861	2.9
173.13237	4.0
175.14813	3.5
177.12744	7.7
179.14320	7.9
183.11676	2.8
185.13326	3.9
187.14799	3.4
189.11246	3.6
189.12750	3.2
195.13783	15.1
227.12773	9.8
231.21072	1.9
235.16516	1.8
241.19501	5.1
241.26814	1.7
249.22160	2.4
251.16437	5.9
253.18024	2.2
259.20627	10.2
260.96887	1.9
267.15775	2.9
269.17456	57.6
277.21640	31.0
293.21097	2.1
295.22800	3.4
299.23517	1.6
333.24258	2.4
351.25220	35.7
367.24933	3.6
369.26385	2.2
378.62823	1.9
435.32178	3.6
445.29514	5.5
447.30780	4.1
463.30545	59.6
464.30936	2.4
471.34421	3.9
501.35840	3.5
527.37451	9.1
545.30725	3.4
545.38397	41.8
563.39209	7.5
627.45801	4.2
698.43750	8.4
699.44092	31.6
711.47693	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38442	1.5
52.59179	1.6
53.03944	2.9
55.01859	7.6
55.05252	3.3
55.05512	43.4
57.03437	11.0
57.07065	8.3
67.05504	90.7
68.31868	1.8
69.03428	2.9
69.07062	25.4
71.04973	5.5
71.08632	25.6
79.05489	65.9
81.03416	5.8
81.07055	100.0
82.71902	1.8
83.04994	14.3
83.08619	25.0
85.06535	4.6
91.05480	54.6
93.07043	75.7
95.04966	17.2
95.08603	52.1
96.05227	2.0
97.06528	13.7
97.10144	15.5
99.08081	22.2
105.04514	2.6
105.07023	35.4
107.04941	7.6
107.08595	42.3
109.06507	6.3
109.10156	20.0
111.08073	8.3
117.07006	17.4
119.08572	23.1
121.06511	4.0
121.10139	27.3
123.08098	3.4
123.11679	10.0
125.09673	10.4
127.88033	1.8
129.07005	5.3
131.08568	19.4
133.10115	18.8
135.08072	3.2
135.10672	2.1
135.11661	14.3
137.09584	3.0
137.13266	2.1
139.11165	6.6
139.22902	1.7
141.07048	3.1
143.08549	6.2
145.10133	16.7
146.98105	2.2
147.11697	12.1
149.13245	22.4
151.11191	23.0
155.08606	2.3
157.10124	5.2
159.11703	12.2
161.09595	3.2
161.13246	11.1
163.11168	12.1
165.12769	4.3
171.11678	5.2
173.11736	3.2
173.13211	3.7
175.14844	3.9
177.12756	6.5
179.14314	6.8
185.13225	4.4
187.70837	2.1
189.11224	7.9
195.12064	2.2
195.13763	10.1
207.13896	2.0
227.12784	17.4
231.21080	4.1
231.89539	1.9
241.19481	5.4
249.22028	2.6
251.16396	3.4
253.18016	3.3
259.20547	9.4
269.17456	36.4
277.21625	36.0
283.41800	1.9
293.21204	2.0
295.22656	4.5
315.23102	2.5
333.24326	3.2
347.34875	1.7
349.23709	2.0
351.25250	40.5
367.24725	3.5
431.28082	4.0
439.26718	4.2
445.29477	3.8
447.31097	2.2
453.33624	3.1
463.30502	38.7
471.34296	2.4
501.35675	2.9
527.37012	5.3
545.38269	49.4
546.38629	3.6
563.39136	5.3
627.45789	6.5
698.43085	2.8
699.31628	4.0
699.43195	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	699.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91349	0.6
52.43665	0.6
53.03942	0.9
55.01875	1.1
55.05521	3.1
55.81951	0.5
57.03432	1.6
59.04985	0.5
61.02927	5.7
67.05504	4.7
69.03437	2.9
69.07066	1.3
70.12890	1.3
71.04987	1.1
73.02925	3.9
79.05508	3.4
81.03419	1.6
81.07063	4.5
83.01112	0.7
83.04991	0.8
83.08615	1.4
84.01875	0.7
85.02909	4.8
86.14315	0.6
91.03962	2.3
91.05497	2.6
93.07057	2.3
94.06577	0.8
95.08629	2.2
97.02908	3.3
97.10190	1.3
99.04466	2.0
101.02380	1.4
105.07018	1.2
107.08622	1.6
108.08125	1.4
109.10184	1.4
117.07003	1.1
120.08156	1.2
121.10150	1.0
122.09706	0.8
124.07652	0.9
125.09658	0.8
127.03944	0.7
129.05461	0.7
132.08130	1.0
133.10141	2.3
134.09607	1.1
135.11798	0.6
136.07617	1.0
138.09169	3.6
162.09236	0.9
164.10799	0.8
185.04251	2.0
201.03690	1.2
232.92830	0.6
235.13127	1.0
236.13374	0.8
243.08392	1.6
258.18753	1.1
262.17908	0.6
274.18146	0.7
276.16782	0.9
276.19714	2.2
278.17551	0.7
290.17517	1.9
301.09009	2.5
302.09363	2.0
303.09521	2.1
315.10812	0.7
316.18915	0.8
332.21994	0.8
373.11023	1.1
374.11511	1.7
375.11465	0.9
383.16614	0.7
385.17929	1.1
386.18747	0.9
387.19058	1.1
400.28598	1.2
410.26959	1.6
417.25897	0.9
418.26477	0.7
425.20523	0.6
428.28000	7.5
443.18170	0.8
444.19131	0.9
445.19577	2.0
446.29150	1.7
453.21091	3.0
454.21411	2.2
455.22031	3.2
469.20361	1.3
470.20825	1.0
471.21274	1.8
484.22366	0.7
485.23138	1.3
492.34119	0.6
502.31699	4.1
514.23047	0.8
520.32697	43.1
521.33038	2.6
526.23108	1.1
527.23871	2.9
544.32635	1.4
562.33765	2.4
567.30829	0.9
568.31934	1.6
569.32288	5.6
570.32928	0.7
597.31366	1.5
598.32623	1.5
628.35071	1.0
637.35175	0.7
639.33142	0.8
646.35864	1.8
653.34039	9.1
664.37256	2.2
681.34668	3.2
682.37347	4.3
697.33630	0.7
699.34491	100.0
700.34491	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	699.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01887	0.9
55.05522	4.5
57.03446	2.2
60.20963	1.0
61.02929	9.1
61.91605	0.8
67.05499	6.5
69.03439	3.9
69.07072	3.0
69.20374	1.7
69.20776	3.5
71.05009	1.7
73.02913	5.6
76.14199	0.9
79.05106	0.9
79.05497	5.7
81.03434	2.7
81.07053	7.5
83.04977	1.5
83.08635	3.0
85.02904	8.7
91.03944	4.5
91.05460	4.8
93.07032	4.6
94.06570	2.3
95.08628	2.5
97.02893	6.0
97.10162	4.5
99.04475	1.8
101.02374	1.8
105.07064	3.3
105.72052	0.9
106.06619	0.9
107.08619	3.7
108.08154	2.6
108.08869	0.8
109.02893	1.0
109.10163	2.1
117.07043	1.4
119.08646	1.2
120.08125	3.9
122.09687	1.7
124.07622	3.7
125.09679	3.3
125.83300	0.9
126.09200	1.2
127.03965	1.8
131.08612	1.3
132.08130	1.9
133.08888	1.0
133.10155	2.7
134.09709	1.0
136.07596	1.0
138.09132	8.0
144.08127	1.2
146.09741	1.6
147.10519	1.0
150.09232	1.5
152.10748	1.1
158.09790	1.2
162.09169	2.0
164.10735	2.2
174.09270	1.1
175.11189	1.0
176.10793	1.5
183.14015	0.9
185.04184	1.0
193.12151	1.0
232.16885	1.0
243.08575	1.2
244.17070	1.4
251.12318	0.9
258.18643	2.6
260.16534	2.6
262.18170	1.8
274.18152	1.8
276.19568	5.5
278.17667	2.6
290.17627	5.1
292.19040	1.3
301.09052	1.1
306.20963	1.1
308.18842	1.1
316.19290	1.9
330.20673	1.1
332.22086	1.1
334.19833	1.2
340.27158	1.0
382.27368	1.6
400.28650	2.2
410.26855	5.5
428.27945	21.7
429.28424	1.7
446.29095	3.4
453.21109	2.7
454.21347	1.1
464.30450	1.0
469.20706	3.2
471.21991	0.9
474.32190	1.1
476.29974	1.3
484.30652	1.0
502.31775	8.1
520.32709	100.0
521.32880	6.1
544.33051	3.6
562.33838	5.9
568.31940	1.6
569.31879	4.8
586.33954	2.0
597.31866	1.3
598.33777	1.6
628.34570	1.9
646.35956	7.1
653.33923	6.9
655.33075	1.0
664.36548	5.6
681.34747	3.7
682.38019	9.3
699.34436	83.5
700.34711	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	700.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01873	5.3
55.05514	7.0
57.03443	4.2
59.04997	2.0
64.00535	0.9
65.03941	1.4
66.80059	1.2
67.05507	44.4
69.07068	12.4
69.42041	4.7
70.79968	1.1
71.05002	1.8
74.04255	1.1
79.05484	12.1
81.03425	3.5
81.07059	23.1
81.15190	1.2
83.04993	3.7
83.08620	5.2
85.06538	1.5
91.05482	19.6
93.07046	15.7
95.01323	3.8
95.04982	5.0
95.08606	12.7
97.06554	9.8
105.04482	1.3
105.07029	31.0
107.04960	7.1
107.08559	7.9
109.10160	32.1
109.10896	2.0
111.08120	1.7
111.79133	1.1
117.07051	4.5
119.08578	18.8
121.10147	3.6
123.08056	1.9
129.07076	1.4
131.08577	7.7
133.10135	16.6
135.11708	2.5
135.45105	1.2
137.09621	3.8
141.07030	1.3
143.08490	1.4
145.10136	7.6
147.11668	5.7
148.10013	1.1
149.09653	2.5
149.13254	2.0
155.10655	1.7
157.10114	1.2
159.11688	4.1
161.13359	1.4
163.11188	2.4
169.10312	1.2
171.11847	1.1
173.11746	6.1
179.14325	4.9
203.62044	1.1
211.13321	1.4
219.00148	1.0
229.14366	33.1
257.18985	2.5
261.37558	1.1
275.20053	27.7
275.22955	2.0
300.77322	1.1
349.23770	14.7
412.03345	1.2
438.07260	1.2
503.33682	100.0
504.34406	7.3
504.40509	1.4
594.70801	1.2
647.37305	2.0
701.37659	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	701.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05513	0.4
57.03442	1.6
58.25768	0.3
59.05005	0.7
61.02937	3.5
67.05502	2.2
69.03444	2.2
71.05016	0.9
73.02936	2.7
79.05511	1.4
81.03428	5.9
81.07083	1.1
83.04998	0.6
85.02918	4.4
87.04525	0.4
91.03976	2.0
91.05491	4.2
93.07061	2.9
95.04996	1.2
95.08620	1.5
95.77495	0.3
97.02894	3.1
97.06538	0.5
99.04516	0.6
100.39661	0.3
101.02413	1.3
103.03971	0.6
105.07020	0.9
107.04959	0.4
107.08596	0.5
109.02910	0.4
109.06461	0.4
109.10178	0.6
110.85001	0.4
111.08054	0.5
119.08580	4.5
121.06558	0.7
121.10200	0.6
123.08131	0.4
127.03967	0.8
129.07051	0.6
131.08644	0.8
133.10208	0.6
136.12560	0.4
137.09679	1.9
146.30844	0.4
147.05789	0.4
147.08066	0.6
147.11772	1.0
149.09666	0.9
157.10254	0.5
161.32196	0.4
165.09126	2.0
192.87282	0.4
193.12393	0.7
203.05348	0.6
223.09506	0.6
225.14908	0.4
239.12802	0.6
243.08499	1.6
255.12206	1.0
279.12039	0.4
283.15234	3.0
311.14963	0.5
441.17340	7.2
457.39038	0.3
469.20648	2.9
473.19916	4.2
501.23013	4.5
539.28119	0.4
601.15466	0.4
684.90698	0.4
701.33606	100.0
702.33862	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	701.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05507	1.2
57.03429	1.2
57.30540	0.5
58.43884	0.4
61.02926	4.7
61.42202	0.5
67.05511	3.4
69.03423	2.4
69.07069	0.6
69.07722	2.5
69.08128	0.8
71.05006	3.1
73.02910	2.7
73.96899	0.5
79.05509	2.9
81.03429	1.5
81.07057	4.5
83.04983	0.7
83.08640	0.7
85.02908	3.8
91.00318	0.4
91.03948	2.7
91.05495	2.3
93.07050	2.5
95.08610	6.6
97.02898	3.7
97.06554	0.8
101.02412	2.0
103.03955	0.8
103.71929	0.5
105.07081	1.0
107.08604	1.1
109.02874	1.1
109.10193	0.9
117.07025	0.5
121.10159	2.6
123.08086	2.3
123.11685	0.6
127.03941	1.4
131.08514	0.5
133.10147	1.5
140.48405	0.5
141.09132	0.6
149.09698	0.6
149.13287	0.5
151.11249	1.1
159.10239	0.8
239.12706	0.8
239.80066	0.5
243.08508	2.2
265.74515	0.5
267.15738	1.5
385.14786	0.8
427.19760	0.6
432.42972	0.6
453.21265	1.1
457.20480	10.0
458.20828	0.6
471.21579	0.7
485.23550	5.3
507.98160	0.5
539.31976	0.6
597.28540	3.3
605.97369	0.6
629.31909	0.8
660.22021	0.6
683.36829	0.6
701.37146	100.0
702.37573	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	702.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01876	1.3
55.05523	2.9
57.03438	0.8
60.26851	0.5
61.02939	1.1
67.05520	2.7
67.31944	0.5
69.03439	7.5
69.07076	11.7
71.05001	3.4
73.02928	1.1
73.06562	1.0
79.05505	7.3
81.03429	6.7
81.07063	5.9
83.04988	24.3
83.08598	0.5
85.02919	5.8
85.06561	1.6
91.05480	6.8
93.07056	7.2
95.04970	6.5
95.08600	3.8
97.02892	3.2
97.06540	20.2
99.04464	7.6
101.06058	1.2
103.05508	1.2
105.04615	0.6
105.07039	21.0
107.04964	2.9
107.08603	7.6
109.02868	2.8
109.06520	5.9
109.10169	0.8
111.04497	1.1
111.08085	0.5
111.11755	0.6
113.06007	0.8
115.05464	0.8
117.05576	0.7
117.07011	4.0
119.04964	2.1
119.08598	5.2
121.06519	14.6
121.10197	2.0
123.04446	0.8
123.08083	1.2
123.11718	0.9
125.06003	39.0
127.03944	2.3
129.07047	2.4
130.07848	2.0
131.08589	6.8
133.06505	4.0
133.10146	2.5
135.04474	1.6
135.08119	1.4
135.11739	2.0
137.05980	3.2
139.07545	1.2
139.11191	0.6
141.07074	1.1
143.07047	37.5
143.08583	3.5
144.07413	0.8
144.09398	1.5
145.05545	0.7
145.06496	4.1
145.10133	32.2
146.10475	1.0
147.08086	2.0
147.11737	1.9
149.06044	1.0
151.07567	7.4
154.07825	1.4
155.08574	2.0
157.10190	1.4
158.07310	2.9
159.08069	4.3
159.11703	12.8
159.12943	1.0
161.09608	1.0
161.13367	1.2
163.07527	1.1
163.11198	9.5
169.10115	4.7
171.08078	1.5
171.11778	1.6
172.08852	1.3
173.09642	27.1
174.10011	0.9
175.07611	1.4
175.11293	0.5
177.12779	5.9
179.08611	1.2
182.07304	0.6
187.07578	0.8
187.11191	26.2
188.11530	0.7
189.09245	0.9
189.12878	1.8
191.10681	12.3
197.09650	4.4
199.06239	0.8
203.10817	0.6
205.12256	30.5
206.12694	0.8
207.13980	0.6
209.11745	4.4
215.10696	28.5
221.15392	1.2
223.13335	1.5
233.11746	37.8
234.12141	1.1
251.12811	22.3
252.13367	0.6
269.13861	3.8
289.14325	0.8
295.26263	0.8
299.12872	0.7
307.26511	2.1
341.14197	0.9
343.28415	0.6
359.14926	1.4
377.15942	5.5
395.16943	5.7
413.18069	18.0
414.18497	1.0
575.23566	2.0
701.49396	96.1
702.49695	100.0
703.19531	1.3
703.49567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01879	4.4
55.05510	47.5
57.03447	10.7
57.07083	2.3
60.08162	5.2
61.02947	2.3
61.20524	1.6
65.56165	1.4
67.05154	3.8
67.05502	44.9
67.81344	1.7
69.03432	5.6
69.07064	11.8
71.07372	2.5
71.44274	2.4
79.05486	32.9
79.89838	1.7
81.03412	4.5
81.07057	42.5
83.04988	3.3
83.08619	27.2
84.83788	1.7
85.02927	2.8
85.06539	2.4
86.09703	24.3
87.04429	1.9
91.05470	12.5
93.07047	31.2
95.04975	4.3
95.08608	28.1
97.02934	2.5
97.10170	59.0
98.98465	2.1
104.10764	1.8
105.07031	8.4
107.08588	32.8
109.10139	15.0
111.08076	4.7
116.71821	1.9
117.06995	4.3
119.08590	9.1
121.10146	11.0
123.11707	5.4
123.93141	1.6
124.99980	18.4
125.09631	58.2
129.05614	1.8
131.08578	6.8
133.10132	6.2
135.08083	4.5
135.11687	9.4
143.10678	2.5
145.10147	4.1
147.11659	4.0
149.13264	4.7
153.09160	2.6
159.11722	3.2
161.13324	2.9
163.14854	3.9
171.10207	4.4
173.13297	2.9
184.07336	80.9
189.11215	40.1
227.12762	77.9
227.15022	2.8
228.13145	2.8
243.21161	7.7
245.13832	100.0
261.22107	23.2
290.62390	1.9
317.24777	3.1
335.25790	66.5
356.19693	1.9
431.31570	2.1
433.01688	1.9
487.34378	11.5
505.35205	38.7
506.35721	2.5
523.36121	4.1
529.38879	6.1
534.73853	1.8
702.28491	3.2
702.46259	11.7
703.47821	11.6
725.24371	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	702.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.4
55.01872	3.3
55.05258	2.9
55.05518	46.7
55.82825	1.8
57.03454	13.5
57.07072	2.3
60.08162	4.8
61.02921	3.4
67.05515	52.8
69.03427	8.7
69.07076	15.1
70.11803	2.8
70.12127	2.8
71.04987	2.2
71.07372	2.5
79.05505	40.2
81.07063	53.2
83.05000	4.4
83.08176	3.5
83.08628	30.9
84.18815	2.2
85.02924	4.4
85.06590	2.8
86.09712	16.5
91.05480	17.3
93.07051	33.6
95.04980	4.7
95.08615	30.4
97.06538	3.2
97.10181	69.1
98.22847	2.8
105.07041	11.5
107.08606	32.1
109.10166	18.5
111.08073	3.5
117.07026	5.6
119.08559	6.7
121.10166	15.6
123.11747	4.8
125.00003	9.9
125.09644	61.7
131.08580	6.2
131.58308	2.1
133.10152	8.6
135.08073	7.4
135.11697	11.8
137.13219	2.5
142.06331	1.8
145.10133	7.1
146.33009	1.9
147.11685	5.2
148.31458	2.3
149.13290	6.0
153.09062	3.7
159.11732	4.8
161.13316	3.7
163.14812	3.2
171.11771	2.2
173.13301	4.4
175.02129	1.8
175.14764	2.8
184.07370	49.8
187.14818	3.6
189.11237	43.3
224.63318	1.8
227.12790	69.9
227.20084	2.4
228.13081	2.3
231.70255	2.1
243.21165	5.6
245.13866	100.0
246.14214	3.4
261.22156	29.2
279.23352	2.7
317.24658	4.3
335.25827	90.3
487.33853	5.2
505.35242	65.9
506.35486	4.5
523.36230	4.8
702.45868	7.4
703.47119	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	702.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	1.5
55.05516	13.2
57.03436	13.7
57.07077	5.0
59.05011	2.3
59.43556	1.2
61.02935	4.1
62.00328	1.4
63.56670	1.4
65.03949	3.6
67.05508	100.0
68.43982	1.4
69.07076	8.7
70.06595	3.9
71.05004	4.8
79.05493	27.0
79.51563	1.5
81.03448	1.8
81.07059	27.9
83.08625	8.3
85.02926	3.5
88.07647	5.9
91.03954	1.7
91.05484	36.2
93.07049	32.3
95.04984	4.3
95.08611	19.2
97.02927	2.8
97.06544	3.1
97.10178	1.9
99.08100	2.7
102.09209	2.3
105.07031	37.2
107.08588	17.2
107.09138	1.5
109.06560	2.2
109.10159	75.4
111.08106	4.4
113.09683	1.7
115.05488	1.4
117.07023	8.5
119.08585	34.7
121.06448	1.3
121.10163	15.6
123.11668	3.0
125.09637	1.9
129.07010	5.5
131.08589	14.6
133.10144	25.2
135.11671	10.7
137.09642	2.7
143.08578	3.6
145.10150	10.7
147.11687	23.7
149.02339	14.9
149.03423	1.7
149.09662	1.9
149.13252	6.5
155.10699	4.0
157.10133	4.9
159.11699	8.8
161.13257	15.6
163.11194	2.0
163.14819	2.5
171.11671	6.5
173.11763	20.4
173.13277	6.6
175.14864	5.3
184.07344	3.7
185.13316	6.2
187.14932	2.1
193.05028	5.3
199.14835	2.5
213.16409	2.0
227.12868	9.4
229.14368	77.1
230.14812	2.6
231.21071	5.0
241.19527	20.2
256.26343	9.6
257.19016	1.7
259.20593	61.3
260.20859	1.8
261.22137	3.2
300.28928	2.2
304.38898	1.7
315.23318	3.4
333.24271	39.7
334.24725	1.5
367.55917	1.8
385.09189	3.8
395.29507	1.7
403.10370	2.1
413.80481	1.7
429.11850	4.2
473.14441	2.8
487.34164	22.7
496.56540	1.5
505.35309	25.0
702.38287	25.5
703.39307	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	703.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
58.90741	1.7
67.05499	6.4
69.16383	4.8
69.16798	5.0
71.04977	2.4
79.05481	3.5
81.03414	1.6
81.07057	4.5
91.05492	3.7
93.07052	4.4
95.08593	2.7
100.50735	1.5
105.07014	3.4
107.08565	1.7
145.07553	1.7
155.12939	1.4
158.63091	1.8
172.07579	1.8
197.10793	2.1
201.06693	1.9
208.09705	2.1
209.10689	4.0
210.11194	2.0
211.12219	3.8
211.19231	1.6
213.63629	1.7
223.12271	6.4
224.13133	5.3
225.13850	4.5
237.13879	8.6
238.14691	5.4
239.15453	6.4
253.13292	2.0
265.13385	5.6
266.14227	2.7
267.14960	4.8
309.15982	2.9
325.15439	5.2
328.18112	2.1
388.20364	2.7
389.20932	2.6
402.21936	2.7
404.23236	2.1
406.17386	2.2
407.18460	1.7
412.19220	1.8
427.21402	3.5
430.21588	2.1
441.22830	2.4
468.22556	2.3
481.22287	2.6
485.25266	2.6
490.23264	2.6
495.23953	3.0
497.24597	1.9
498.23505	3.3
499.23019	2.4
509.25571	10.2
510.26123	4.3
513.24939	5.9
514.25574	5.7
523.23370	5.0
541.24292	5.8
542.25470	2.4
551.22882	2.2
569.23792	8.0
573.27240	2.3
583.25635	4.7
601.26776	10.0
611.24969	21.2
629.16479	2.4
629.25964	19.1
643.27417	24.1
644.27448	2.1
661.28174	5.6
671.27094	100.0
672.26764	7.0
703.29315	30.8
703.40576	7.2
704.29547	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	703.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01848	0.6
55.05518	2.0
57.03450	1.9
57.07067	0.5
59.04993	0.4
61.02927	7.0
67.05501	6.4
69.03428	3.4
69.07058	1.7
71.01367	0.4
71.04989	1.1
71.08621	1.1
73.02919	4.3
79.05496	5.1
79.14751	0.4
81.03414	2.9
81.06630	0.5
81.07061	6.2
83.04951	0.7
83.08612	1.2
85.02904	7.1
85.10193	0.4
86.09701	0.5
87.04462	0.6
89.06036	1.3
91.03955	4.5
91.05474	2.5
93.07041	6.0
95.04958	0.8
95.08616	3.4
97.02895	6.4
97.06532	0.7
99.04461	0.9
101.02357	2.1
103.03937	0.7
105.04461	0.4
105.07035	1.4
107.08583	2.6
109.02882	1.2
109.10115	2.1
111.08064	0.4
111.17047	0.4
115.03944	0.9
117.07025	0.9
119.08600	1.5
121.06493	0.4
121.10127	2.3
123.11713	0.6
127.03921	2.1
131.08568	1.0
133.08586	0.7
133.10144	1.1
135.11694	1.3
145.04973	0.7
145.10147	0.8
149.13246	0.8
159.11638	0.9
183.98045	0.4
184.07332	1.3
185.04240	0.7
191.90913	0.4
195.13771	1.1
203.05313	0.7
208.63647	0.4
235.13028	0.8
243.08437	1.7
283.15186	0.5
307.22733	1.0
335.21927	0.7
393.51358	0.4
396.09564	0.4
453.20947	4.6
460.09222	0.4
491.26178	8.1
492.26599	0.7
671.30817	0.5
702.46729	0.5
703.39960	100.0
704.28644	0.6
704.40442	10.3
714.73358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01871	0.3
55.05506	1.4
57.03438	1.9
57.07072	0.5
57.93804	0.2
61.02634	0.3
61.02929	5.4
67.05502	5.2
69.03419	2.9
69.07063	1.2
69.49145	0.8
71.01353	0.4
71.04987	0.2
72.89176	0.2
73.02915	3.8
76.07452	0.2
79.05488	4.9
80.05805	0.2
81.03410	1.6
81.07058	4.8
83.04980	0.4
83.08620	0.9
85.02901	5.0
85.10190	0.2
86.09713	0.4
87.04469	0.5
89.06021	0.2
91.03953	3.5
91.05473	1.9
93.07040	4.7
93.07597	0.3
95.04977	0.9
95.08599	2.5
97.02890	4.3
97.06549	0.6
99.04453	0.8
99.07236	0.2
99.08090	0.2
101.02377	1.3
103.03950	0.4
105.07011	0.9
107.08600	1.5
109.02869	1.0
109.06550	0.3
109.10155	1.2
111.08138	0.2
115.04005	0.3
117.06299	0.2
117.07053	0.5
119.08593	0.7
121.10139	2.3
123.08057	0.2
127.03922	1.9
129.05519	0.2
131.08588	0.8
132.96806	0.2
133.10149	0.8
135.08058	0.2
135.11699	1.2
145.05028	0.4
145.10136	0.4
147.11653	0.4
149.13255	1.3
154.67261	0.2
159.11702	0.6
165.12794	0.3
168.65050	0.2
173.13261	0.3
177.12698	0.3
184.07336	1.1
185.04224	0.4
185.07744	0.3
189.26959	0.2
203.05360	0.4
235.13042	1.6
243.08325	1.8
291.15637	0.4
307.22565	0.9
453.20999	4.1
454.21573	0.4
491.26154	7.2
492.26276	0.5
600.20807	0.2
625.18768	0.2
654.16840	0.2
657.78577	0.2
703.40149	100.0
704.40503	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	703.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01860	0.3
55.05508	1.2
57.03181	0.2
57.03437	2.6
57.07069	0.3
61.02927	3.2
67.05503	3.0
69.03429	1.9
69.07075	0.5
71.01357	0.5
71.04979	0.7
71.08628	0.2
73.02913	2.7
79.05495	3.0
81.03412	1.4
81.07057	2.5
83.04971	0.4
83.08626	0.9
85.02906	3.4
86.09701	0.2
87.04444	0.3
91.03951	2.4
91.05475	1.1
93.07043	4.2
95.04985	0.5
95.08618	2.2
97.02895	3.4
97.06521	0.3
99.04480	0.5
101.02380	1.4
102.32733	0.2
103.03946	0.4
105.07037	0.8
107.04845	0.2
107.08592	0.9
109.02883	0.8
109.10157	0.8
115.03926	0.2
117.07005	0.3
119.08608	0.5
121.10152	3.2
122.45853	0.2
125.09624	0.2
127.03913	1.4
131.08597	0.7
133.10158	0.5
135.11760	0.4
139.11171	1.0
141.88190	0.2
148.69040	0.2
149.09602	0.2
149.13226	0.4
167.10739	0.5
184.07359	0.6
185.04219	0.5
203.05251	0.4
207.09941	0.7
241.14378	0.3
243.08441	1.5
263.12531	0.4
335.25845	0.3
363.25494	0.2
425.17795	7.8
426.18311	0.3
491.26520	0.2
511.27039	0.2
519.29279	2.8
520.29639	0.2
605.42310	0.3
619.99738	0.2
685.28302	0.3
700.24353	0.2
703.40076	100.0
704.40472	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05517	1.2
56.32134	0.6
57.03425	1.5
57.07068	0.6
59.92744	0.5
61.02929	3.5
67.05524	4.1
67.56633	0.5
69.03420	1.7
69.07072	1.4
69.33790	0.6
71.46035	0.7
71.46403	0.6
73.02932	2.7
79.05489	3.7
81.03408	1.3
81.07054	4.2
83.08624	0.9
85.02917	3.9
86.09700	0.9
87.04412	0.6
89.06036	2.5
91.03936	3.1
91.05486	1.6
93.07054	5.3
95.04947	0.6
95.08617	2.5
97.02906	3.5
101.02373	1.8
103.03914	0.6
105.07063	1.5
105.61269	0.5
107.08586	1.9
109.02821	0.6
109.10182	0.9
121.09379	0.5
121.10141	2.9
123.05930	0.5
125.00018	1.2
127.03922	1.1
131.08595	1.2
133.08630	1.7
135.11713	0.7
149.09648	1.0
167.10750	0.9
177.11168	0.8
184.07344	3.7
192.93729	0.5
197.49438	0.6
207.09952	1.0
243.08488	2.0
320.76068	0.7
335.26065	0.6
425.17758	7.9
490.54025	0.7
519.29053	4.4
595.25226	0.9
610.27307	1.3
647.20740	0.6
671.30084	0.8
703.39966	100.0
704.40216	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	703.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
57.03447	1.5
60.08173	5.8
61.39464	1.0
67.05497	6.0
69.07074	2.3
69.20103	6.3
71.07382	2.9
79.05501	2.9
81.07052	5.5
82.82526	1.2
83.08643	1.8
84.05095	1.0
86.09711	27.8
86.44065	1.0
87.10060	4.4
91.05508	3.0
91.34714	1.2
93.07056	2.9
95.08629	3.3
98.98482	2.5
101.58867	1.1
101.89735	1.0
104.10741	1.6
105.07063	1.6
105.28551	1.0
107.08618	2.4
121.10204	2.0
125.00009	18.8
126.00356	1.4
126.94202	1.1
133.10143	1.5
148.78357	1.0
184.07346	74.7
185.07704	13.5
199.02678	1.0
267.68219	1.0
335.21954	9.2
391.24628	5.9
703.47693	100.0
704.48572	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	704.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.1
53.03949	5.9
55.01882	12.4
55.05275	2.8
55.05514	22.7
57.03438	13.8
57.07066	3.9
65.03940	3.9
67.05161	3.5
67.05505	47.9
69.03423	4.3
69.07059	14.0
71.04996	4.4
73.02917	2.9
73.06491	3.0
79.05497	68.6
81.03426	19.8
81.07050	38.8
81.07790	2.2
82.04191	4.6
83.04982	18.6
83.08611	9.9
85.06554	3.5
86.09717	3.1
91.04935	4.2
91.05479	54.2
93.07041	66.2
95.04974	27.4
95.08616	24.2
97.02887	4.6
97.06528	8.9
97.10155	9.2
97.93741	2.5
98.07288	3.0
98.23430	5.7
105.04511	4.4
105.07020	40.7
106.98592	2.3
107.04961	12.5
107.08586	21.1
108.74741	2.5
108.75501	2.6
109.06510	5.9
109.10160	7.7
111.08092	3.4
112.07010	2.3
116.04730	6.2
117.07019	9.9
119.08581	25.2
121.06506	4.7
121.10140	5.4
123.08050	8.8
125.09612	9.2
128.06200	3.1
129.05476	19.4
129.06958	13.8
131.08539	7.1
133.10147	13.4
135.08038	2.4
135.11679	6.9
137.09502	3.2
143.07018	4.1
143.08548	8.3
145.10143	13.3
147.08028	4.9
147.11685	34.8
150.72198	2.2
154.91550	2.2
157.08585	6.4
157.10007	3.1
159.11661	2.9
161.09601	3.3
161.13249	9.8
163.11142	11.1
163.85844	2.4
171.11641	21.6
180.86537	2.5
184.07382	7.7
189.11221	5.2
189.12759	9.0
193.12228	6.6
199.13307	4.6
207.13780	26.8
209.11784	5.1
227.12785	8.9
230.16805	2.4
267.15930	6.6
281.17487	76.5
283.15433	6.9
301.16498	28.5
405.26324	4.0
423.26837	2.9
432.37750	2.8
435.27213	9.7
473.28870	4.8
489.28214	9.9
490.29102	5.4
507.29559	100.0
508.30011	2.7
575.50287	2.8
704.35327	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	704.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.4
51.02380	0.5
53.03942	1.8
55.01867	1.6
55.05513	8.1
57.03435	3.8
57.07062	1.0
59.04996	0.8
61.02919	0.8
65.03928	1.4
67.05505	38.3
69.03432	1.0
69.07065	7.3
71.04991	13.6
72.15372	0.4
72.48640	0.4
73.02923	0.6
73.06547	1.4
77.03953	0.8
79.05496	32.7
81.03420	4.0
81.07058	53.1
82.07397	0.5
83.04981	6.4
83.08620	6.1
85.02908	1.0
85.06528	4.2
86.09730	0.6
87.04455	0.5
91.05482	29.9
93.07045	31.6
94.07376	0.5
95.04970	10.0
95.08605	12.7
97.02892	1.1
97.06529	4.4
97.10172	1.6
99.08091	1.1
102.45870	0.4
105.04520	1.7
105.07028	19.4
107.04988	2.8
107.08591	14.2
109.06512	2.9
109.10154	4.5
111.08086	2.2
117.07020	4.7
119.08579	10.0
121.06501	1.7
121.10142	4.8
123.08081	2.4
123.11716	5.9
127.07536	0.7
128.06239	0.9
129.07002	5.2
131.08571	3.6
133.06561	0.6
133.10135	10.5
135.08080	0.6
135.11723	3.1
137.09782	0.4
137.78894	0.4
143.08566	3.0
145.10094	3.9
147.08032	1.2
147.11688	12.3
148.12068	0.4
149.02325	0.7
149.13254	4.1
151.11203	3.8
159.11740	2.7
161.09657	1.4
161.13240	4.3
165.12714	0.5
171.11687	9.0
171.13043	0.7
173.04489	0.4
175.51456	0.4
177.12816	1.3
179.14339	0.5
183.13857	1.3
184.07445	1.1
187.13344	1.2
189.12726	3.5
194.05238	0.4
195.13864	1.6
207.13795	9.0
225.14912	1.2
251.16495	0.5
257.17575	0.7
269.17465	3.2
281.17474	11.9
301.20099	5.8
303.90121	0.5
403.28619	0.8
449.28992	23.1
450.29391	1.2
457.29764	0.6
463.30536	3.6
475.30542	100.0
476.30817	4.6
507.33191	19.6
507.40744	0.9
508.33682	0.9
591.70245	0.5
604.42719	0.5
619.34039	1.0
643.25317	0.5
651.37000	1.5
704.40479	1.1
705.39355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95855	0.4
68.49744	0.4
71.37342	0.4
85.02905	0.5
87.18900	0.5
89.03902	0.5
92.62816	0.4
95.05897	0.5
104.38953	0.4
107.04911	0.6
112.99100	0.4
117.03375	1.5
135.04364	2.1
137.09686	0.5
145.02890	1.4
154.87712	0.4
163.03896	11.7
164.04231	1.8
185.02103	1.0
197.04254	1.2
215.05231	4.1
221.02908	1.2
309.04520	0.8
322.44040	0.5
351.06723	0.6
351.10559	1.8
359.07324	1.1
376.07330	0.7
376.57114	0.6
377.08414	100.0
378.08722	2.0
411.05707	0.7
513.08545	1.9
531.10120	2.6
705.14337	0.7
724.71472	0.6
727.30469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49562	0.8
54.28256	0.8
56.87601	0.8
61.82195	1.0
67.05514	1.2
69.21486	4.6
69.21894	1.7
77.82533	0.9
79.05502	1.8
81.07081	1.1
85.07902	0.8
94.06528	1.0
98.23233	3.8
108.08141	2.4
110.09692	1.4
116.04986	3.0
122.06039	2.3
124.07616	2.2
136.07570	3.0
138.09143	2.8
144.04453	9.5
146.06004	1.1
150.05550	1.5
152.07101	8.9
162.05533	3.8
165.07899	8.1
166.08636	12.7
172.03951	53.6
184.09747	2.2
190.04974	2.0
204.06580	100.0
205.06831	2.1
211.08430	3.2
226.10760	95.0
227.11084	1.5
279.11359	1.7
284.11560	1.3
293.13089	1.1
317.14978	16.7
325.11908	4.3
329.15146	1.2
339.13495	3.4
343.12927	1.3
349.17569	2.5
355.12973	1.4
357.14465	22.0
367.13068	2.3
466.92569	1.0
508.20856	6.2
516.17236	1.0
520.20905	5.2
540.23096	1.8
548.19940	2.6
552.23480	3.3
553.23370	1.4
673.85815	1.0
705.34033	6.4
705.48065	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	705.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01880	0.8
55.05504	1.7
57.03443	1.0
57.07093	0.4
59.05013	0.5
60.68247	0.4
61.02927	3.0
67.05505	7.7
67.05865	0.5
69.03419	2.4
69.07072	2.2
71.04982	0.5
73.02918	2.5
79.05494	2.9
81.03431	1.9
81.07055	3.5
83.04977	0.6
83.08641	0.7
85.02905	2.9
87.04469	0.5
91.03958	1.6
91.05473	2.9
93.07058	2.9
95.01356	0.4
95.04979	1.4
95.08598	2.5
97.02876	2.8
97.06543	1.3
97.10155	0.6
99.04465	0.6
101.02375	1.6
104.41969	0.4
105.07000	3.0
105.27946	0.4
107.04939	1.0
107.08617	1.3
109.02882	0.7
109.10142	5.2
112.21864	0.3
117.07046	1.3
119.08557	2.1
121.06573	0.4
121.10149	0.8
123.08089	0.6
127.03938	1.3
131.08614	1.4
133.10161	2.3
135.08086	0.4
135.11736	0.6
143.08583	0.4
145.10162	1.0
147.11664	0.5
149.09622	1.0
159.11789	0.7
161.13184	0.7
169.10175	0.5
171.11792	0.5
173.11810	0.8
177.12823	0.5
184.07417	0.5
185.04286	0.7
195.09964	0.6
207.59465	0.3
229.14333	0.9
243.08366	1.9
275.20032	1.7
315.19293	2.4
335.62277	0.4
349.23965	0.6
371.21976	1.1
413.17743	6.1
413.22510	0.5
461.38580	0.4
475.28030	0.4
533.27155	7.2
543.36926	1.3
575.50549	0.4
576.50854	0.7
637.32019	0.7
687.39606	1.8
705.38141	100.0
706.38513	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	705.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39311	1.4
53.03934	2.6
55.01862	3.6
55.05521	18.2
57.03427	6.7
57.07067	2.4
61.02932	10.6
62.92418	1.5
65.03944	1.9
67.05515	30.5
69.03442	8.3
69.07073	10.4
69.69096	4.7
69.69434	1.7
71.01313	1.7
71.04984	5.8
72.67032	1.4
73.02917	5.5
79.05122	1.5
79.05505	23.2
81.03423	20.4
81.07064	32.4
83.04964	5.7
83.08620	11.0
85.02905	13.2
91.03957	5.0
91.04955	1.5
91.05495	24.7
93.07057	21.8
95.04975	10.7
95.08619	19.1
96.72221	1.4
97.02894	11.0
97.06518	4.2
97.10174	10.6
98.22747	3.0
99.04449	2.1
101.13023	1.5
105.04472	1.8
105.07036	20.0
107.04916	5.5
107.08613	15.4
109.02821	2.0
109.06555	3.0
109.10182	11.4
111.04457	2.2
111.08047	4.5
115.05411	2.9
115.44956	1.6
117.07027	13.2
119.08615	16.8
121.06461	4.3
121.10167	8.5
123.08060	2.4
123.11693	2.2
125.09624	7.1
127.03899	3.2
127.07629	1.8
128.06236	3.1
129.05540	1.8
129.07051	8.3
131.08583	18.4
133.06451	2.2
133.10141	12.1
135.08026	4.4
135.11676	4.3
137.09602	2.7
141.07019	2.9
142.07732	2.2
143.08583	10.8
145.06497	2.7
145.10129	14.6
147.08012	2.9
147.11705	9.4
149.09561	4.2
151.00212	1.8
155.08537	6.3
157.10124	10.3
159.08083	3.8
159.11702	11.5
161.09642	3.6
161.13214	4.3
163.11169	2.3
167.08557	3.2
169.10191	7.3
171.08018	2.3
171.11751	9.9
173.09601	2.6
173.13217	5.3
175.11121	2.5
177.12709	1.8
181.10062	3.2
183.11697	7.1
185.13268	8.3
187.14809	2.1
189.11214	3.9
193.12215	5.1
195.11667	5.5
197.13210	4.9
199.11243	2.1
199.14838	3.4
201.16434	1.8
209.09557	1.6
209.13211	2.7
211.11314	1.6
211.13222	4.8
211.14990	2.1
213.12756	2.1
213.16476	2.0
223.14771	2.5
227.12708	4.9
229.14240	1.7
259.20581	3.9
267.15860	3.1
275.20081	2.4
299.23877	2.9
299.27167	1.6
333.24075	1.8
343.22318	2.5
367.22531	2.3
371.25476	1.9
421.25937	3.7
429.20422	1.8
433.30701	2.5
435.27106	4.2
451.32214	9.5
469.33200	3.2
499.18393	2.2
507.34512	2.2
525.35785	25.1
541.34912	2.6
543.36877	100.0
544.36847	5.5
611.67047	1.9
651.38043	4.2
669.39648	4.5
687.39655	6.6
705.31750	86.1
705.41150	9.6
706.32233	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	706.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
53.14693	1.0
55.01873	11.1
55.05257	1.6
55.05513	23.3
57.03437	17.0
57.07069	1.9
59.04997	1.2
60.02151	1.2
61.02922	3.8
65.03939	2.0
67.05164	2.1
67.05506	34.2
69.03427	4.5
69.07085	9.1
71.04982	4.9
72.89291	1.1
73.02917	3.5
79.05043	2.0
79.05496	36.4
81.03420	21.5
81.07059	34.1
82.04198	2.9
83.01328	1.7
83.04980	13.8
83.08618	15.3
85.02904	4.9
85.06535	2.3
91.05482	24.5
93.06450	2.0
93.07045	39.0
95.04975	18.0
95.08022	1.9
95.08607	31.3
97.02908	8.3
97.06528	7.5
97.10174	10.8
98.07308	4.3
98.89040	1.1
99.04465	5.6
99.08123	1.7
105.04508	1.5
105.07035	18.4
107.04942	11.0
107.08595	33.3
109.06507	4.2
109.10149	9.5
111.04430	2.5
111.08087	4.3
116.04716	9.8
117.07034	12.4
119.08588	16.9
121.06490	5.7
121.10143	17.4
123.08041	5.9
123.11687	2.7
125.05999	3.4
125.09637	10.4
127.03920	1.1
129.05473	23.4
129.07022	4.3
130.07799	1.5
131.08556	5.6
133.10123	9.7
135.08115	2.9
135.11688	44.6
137.05945	1.6
137.09587	3.0
139.07529	1.7
143.07043	6.3
143.08594	1.9
145.10136	26.3
147.07997	2.6
147.11670	6.5
149.09564	1.8
151.11188	2.1
153.12746	2.9
155.07047	2.7
157.08606	10.1
157.10117	3.7
158.05756	2.2
161.09676	1.6
161.13290	2.1
163.11183	65.5
164.11769	1.3
171.10196	2.6
171.11607	2.5
173.09631	2.4
173.45750	1.2
175.11192	4.6
181.12271	9.5
189.11215	7.3
189.12712	1.6
191.10648	3.6
193.12248	6.1
199.13306	4.3
200.14029	2.4
207.13759	1.5
209.11714	6.5
211.13307	1.6
226.11880	1.1
227.12773	77.0
228.13193	2.1
229.14392	2.6
249.15054	1.5
258.94803	1.1
265.14307	1.3
267.15906	15.9
281.17429	7.7
283.15396	66.3
284.15793	2.2
285.17004	1.8
299.14874	1.7
301.16470	65.7
302.16928	2.7
337.16534	3.0
347.29401	1.1
352.64371	1.4
365.19519	1.3
385.23657	3.1
407.24628	2.1
431.31595	1.6
437.25375	5.4
451.26688	2.2
459.27457	9.2
473.29031	19.3
475.27066	9.5
477.28558	13.3
491.25922	6.9
492.27139	10.4
495.29544	2.4
509.27429	100.0
510.27798	7.0
511.84250	1.3
527.28241	2.6
602.26276	3.1
666.28113	1.2
707.36377	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	706.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	3.5
55.05508	10.7
57.03438	11.6
58.33014	0.8
61.02914	4.6
65.03937	1.3
67.05504	25.3
69.03421	4.1
69.07067	8.0
69.10881	1.5
69.11289	3.7
71.04992	2.8
73.02908	1.6
77.94427	0.7
79.05492	20.1
81.03420	48.8
81.07058	27.3
83.04980	13.9
83.08620	16.9
85.02898	16.5
85.06541	2.8
91.03953	1.6
91.05482	35.8
92.05811	1.0
93.07040	16.9
94.05618	0.7
95.04968	19.5
95.08601	8.8
97.02912	4.0
97.06538	4.1
97.10177	2.9
99.04456	1.5
99.08096	1.9
105.04530	1.2
105.07026	28.7
105.07738	1.4
106.07462	1.0
107.04967	5.7
107.08588	16.7
109.02882	0.9
109.06528	4.7
109.10155	23.0
111.04465	3.0
111.08075	6.6
113.06020	2.5
115.05436	1.1
117.07035	2.3
119.08588	15.0
121.06547	1.3
121.10132	6.5
123.08077	2.0
123.11720	4.1
125.09649	2.1
125.16619	0.7
127.03934	0.8
127.07612	1.9
128.06252	1.9
129.07004	6.4
131.08571	8.3
133.06528	2.4
133.10129	40.4
135.08075	1.1
135.11691	2.6
137.09619	2.4
139.04120	0.8
139.78497	0.8
142.07785	1.5
142.21329	0.8
143.08571	2.0
145.10109	2.4
147.08078	2.7
147.11687	9.3
149.09634	3.7
151.11183	17.9
153.01846	3.5
157.10132	8.7
161.09625	8.4
163.07561	0.9
163.11215	2.1
165.12746	1.3
169.12267	3.6
175.11166	9.7
179.10710	3.0
182.16487	0.7
189.09125	1.3
193.12241	30.9
194.12527	1.2
197.11627	1.2
207.10185	5.3
211.13292	49.4
215.12872	2.5
227.12796	1.2
229.14429	1.2
253.14394	3.4
267.15915	17.6
281.13855	3.3
283.15469	1.5
285.16953	47.8
286.17523	1.1
298.29535	0.8
299.14893	61.4
300.15244	1.6
459.27222	1.0
473.25653	1.1
477.29068	0.8
491.26422	18.7
491.33524	1.5
492.27020	1.0
505.39127	0.8
509.27466	100.0
510.27637	6.5
706.36212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01874	16.0
55.05510	28.9
57.03178	1.8
57.03439	22.0
57.07075	3.0
59.04991	3.4
61.02922	6.6
65.03942	2.5
67.05506	30.1
67.05868	1.8
68.02684	0.9
69.03427	4.4
69.07076	8.1
71.01337	1.2
71.04998	5.1
73.02914	5.0
77.03912	1.2
79.05492	30.2
81.03418	26.3
81.07056	29.4
82.03755	1.1
82.04204	4.3
83.01348	8.3
83.04977	19.7
83.05439	1.6
83.08624	17.8
84.02122	1.3
85.02901	8.2
85.06552	2.1
86.09693	1.5
88.82053	0.8
91.03935	3.0
91.04524	1.0
91.05478	23.9
93.07044	27.7
94.07839	1.5
95.04974	21.3
95.08614	11.6
97.02905	9.1
97.06526	8.1
97.10161	12.8
98.07308	4.7
99.04447	3.5
103.05474	1.6
105.04509	1.4
105.07028	17.8
107.04958	12.0
107.08595	20.3
109.02898	1.1
109.06513	8.4
109.10155	8.0
111.04430	4.1
111.08086	4.0
113.05988	1.4
116.04695	9.5
117.07016	10.1
119.08595	13.7
121.06509	4.5
121.10158	12.1
123.08076	11.3
123.11703	1.5
125.00008	1.4
125.05979	2.0
125.09633	13.0
129.05489	24.0
129.06955	5.7
131.08568	7.2
133.06496	1.5
133.10129	7.7
135.08058	4.0
135.11693	13.1
137.09598	4.0
139.07552	1.7
143.07050	6.3
143.08537	1.6
143.10645	1.0
145.06493	2.0
145.10109	14.5
147.08049	2.9
147.11719	6.0
149.09628	2.9
151.11180	2.0
153.12761	4.5
155.08568	1.0
157.08603	10.7
157.10159	2.8
158.05809	2.0
161.09656	1.3
163.11174	27.8
165.09097	1.1
165.12752	1.1
171.06503	1.4
171.10167	3.4
171.11639	1.1
173.09619	3.6
173.11719	2.6
175.11189	1.6
181.12233	4.9
184.07330	4.3
189.11212	7.9
190.74504	1.0
191.10663	4.7
193.12241	5.3
199.13231	5.7
200.14032	2.3
201.14941	1.5
207.13783	1.4
209.11717	9.2
210.12590	2.5
211.13321	3.3
223.13319	1.1
225.11237	1.3
227.12775	18.4
229.14458	2.1
265.14413	1.6
267.15915	15.5
281.17465	2.3
283.15399	96.7
284.15921	4.4
285.16904	1.6
298.17245	1.0
298.21143	1.5
301.16461	86.7
302.16833	2.3
337.16574	2.7
365.19498	1.7
383.22168	2.9
425.25427	1.6
436.24466	1.4
437.25507	8.4
457.25778	3.4
459.27359	5.2
473.28952	6.9
474.25970	2.3
475.26849	11.9
477.28586	9.5
491.25690	2.0
492.27228	9.0
493.27829	2.1
495.29453	1.6
509.27399	100.0
510.27896	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	706.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	2.0
53.03945	2.1
55.01869	2.9
55.05256	0.9
55.05512	13.9
57.03176	0.8
57.03437	10.2
59.05004	2.5
61.02939	2.8
65.03923	1.1
67.05504	15.4
69.03426	3.6
69.07074	4.1
69.11285	3.5
71.01347	1.0
71.04996	2.9
73.02908	1.5
79.05494	15.8
81.03419	37.7
81.07057	19.8
82.03761	0.4
83.04983	9.3
83.08622	17.6
85.02907	14.5
85.06545	1.9
85.99721	0.4
87.04457	1.0
91.03975	1.1
91.05485	24.6
93.07048	16.1
95.04971	15.5
95.08606	6.9
97.02903	5.2
97.06525	3.5
97.10172	1.8
98.23412	1.2
99.00820	12.1
99.04443	0.9
99.08109	0.9
103.05470	0.8
105.04520	1.1
105.07031	18.5
107.04955	6.3
107.08589	8.0
109.02878	6.6
109.06525	4.2
109.10184	3.6
111.04454	2.5
111.08087	6.7
113.06017	1.6
115.03923	1.8
115.05468	1.5
117.07020	2.3
119.04956	1.1
119.08587	14.4
121.06497	5.5
121.10133	4.2
123.04414	1.4
123.08051	2.5
123.11721	2.0
125.09645	1.1
127.03933	1.6
128.06250	1.1
129.06998	5.4
131.08565	6.7
133.06470	2.6
133.10132	26.1
135.08093	1.0
135.11674	1.2
137.06001	1.2
137.09608	1.9
139.07570	1.8
142.07785	1.6
143.08574	2.6
145.10135	1.5
147.04381	0.6
147.08025	2.7
147.11687	6.8
149.09660	2.9
151.11180	7.1
157.10129	6.3
160.28969	0.6
161.09624	10.8
163.11174	1.2
165.09183	0.7
165.12819	1.6
171.08057	2.4
175.11182	6.5
179.10661	5.8
189.09122	5.9
189.10989	0.6
193.12241	21.5
197.11778	1.3
207.10199	2.2
211.13295	36.3
212.13640	0.8
219.13986	1.0
225.11223	7.8
227.12779	0.6
229.14276	0.7
243.12328	2.2
267.15921	15.5
281.13803	3.3
283.15405	1.2
285.16962	38.6
286.17270	1.1
299.14890	60.3
300.15247	1.4
301.16528	0.7
367.00330	0.5
381.20703	0.6
445.25854	1.2
459.27551	0.6
463.27002	0.8
473.25351	2.7
477.29782	0.6
491.26407	15.9
492.26971	0.8
495.29626	1.2
509.27463	100.0
510.27798	4.9
549.20575	0.8
706.37628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01143	0.9
53.03954	2.7
55.01888	4.8
55.05515	13.7
57.03448	10.4
57.07060	1.0
59.05006	1.1
61.02937	1.6
61.09549	1.0
63.30322	0.9
66.82349	1.0
67.05511	20.2
69.03428	3.2
69.07080	5.9
71.05006	3.1
71.31615	0.9
71.44390	1.2
79.05501	21.7
81.03423	76.9
81.07066	20.7
82.03793	1.1
83.04984	9.9
83.08624	18.6
85.02917	10.6
85.06541	2.1
86.96191	0.9
91.05491	22.1
93.07045	15.9
95.04976	26.9
95.08604	7.4
96.54127	0.9
97.02908	3.3
97.06549	3.2
97.10199	6.5
99.00819	1.0
105.04507	1.5
105.07034	18.4
107.04958	8.8
107.08601	10.6
109.02927	1.2
109.06510	4.9
109.10156	5.5
109.92014	1.0
111.04475	2.7
111.08094	8.2
113.06001	1.7
115.05489	2.2
117.07032	2.9
119.04928	1.7
119.08584	16.0
121.06520	4.9
121.10162	9.4
123.04433	1.5
123.08074	3.4
123.11713	1.8
125.09605	4.5
128.06261	1.1
129.07013	11.1
131.04945	1.2
131.08569	9.8
133.06500	3.7
133.10123	9.5
135.08066	1.9
135.11705	2.9
137.09665	2.0
142.07774	2.8
143.08586	2.7
145.06522	3.8
145.10175	5.0
147.04240	1.0
147.08066	4.6
147.11711	11.3
149.09604	6.8
149.13223	1.0
151.11197	1.8
155.08592	1.3
157.06516	1.4
157.10156	13.8
159.11665	1.3
161.09634	2.4
163.11157	6.2
165.12772	3.0
171.08121	1.4
173.09612	1.4
175.11200	10.5
189.09111	1.6
189.11217	1.6
193.12262	27.6
194.12700	1.1
205.12204	1.1
211.11337	1.0
211.13264	15.4
225.11322	1.1
227.12772	3.6
229.14418	2.1
237.12827	1.5
249.14909	1.2
255.13876	2.3
267.15927	100.0
268.16199	2.6
273.14905	3.5
283.15338	5.2
285.16989	16.3
299.14890	6.5
301.16742	1.6
341.21152	1.6
349.21640	1.9
367.22662	7.9
385.23706	11.9
403.24908	2.9
433.25882	10.5
441.26212	6.2
459.27432	64.1
460.27771	3.2
473.25308	1.7
477.28513	44.7
478.28647	3.0
491.26117	8.4
492.26663	1.0
495.29419	1.8
509.27005	7.6
509.61734	1.0
519.30090	1.6
706.36884	1.7
707.33783	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	706.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00545	0.8
55.01868	4.3
55.05510	14.1
57.03438	7.0
57.07067	1.6
59.04997	1.2
61.02920	3.1
65.03938	1.3
67.05508	46.1
68.48382	0.9
69.03429	2.7
69.07063	7.9
71.04994	22.5
73.02909	1.9
79.05495	31.4
81.03420	6.8
81.07059	72.1
83.04978	6.0
83.08630	13.0
85.02913	3.4
85.06548	8.1
90.95300	0.9
91.05486	26.4
93.07048	39.6
94.07386	1.2
95.04987	7.2
95.08609	34.6
97.02895	4.8
97.06537	6.9
97.10167	2.3
98.22695	1.7
98.44299	1.0
99.04462	3.1
99.08070	1.5
105.04474	1.0
105.07018	12.5
107.04980	8.2
107.08598	31.0
109.06524	5.1
109.10150	8.6
111.04446	2.6
111.08085	3.0
117.07037	10.1
119.08591	9.9
121.06515	7.6
121.10165	14.9
121.11005	1.7
123.08089	2.7
123.11710	10.1
125.05981	3.8
125.09653	1.6
130.07834	1.6
131.08588	4.6
133.10133	19.0
135.08035	2.3
135.11696	42.0
136.12039	1.5
137.09488	0.8
139.07515	1.3
143.08559	1.4
145.06412	1.3
145.10133	25.6
147.07008	0.9
147.11678	1.5
149.09554	1.6
149.13268	5.8
151.11198	6.4
153.12735	1.8
155.08540	1.1
159.11713	5.3
163.11180	58.6
164.11475	1.4
169.12201	1.3
173.09639	0.9
177.12764	2.1
181.12234	9.5
183.13823	3.6
187.13289	3.6
195.13864	2.1
209.11668	1.3
225.14824	3.3
227.12787	58.8
228.13246	1.8
251.16470	1.3
255.16046	1.1
257.17514	3.4
259.06989	0.8
267.15942	3.4
269.17462	9.9
283.15414	23.9
283.18417	0.8
301.16782	1.4
301.20087	22.1
302.20566	1.3
329.38510	0.9
433.25970	1.0
441.26285	1.0
451.26938	67.4
452.27182	4.1
459.27261	6.0
465.28491	10.5
477.28491	100.0
478.28970	5.9
491.29984	1.5
495.29352	2.0
509.31122	73.1
510.31232	5.0
583.37506	0.9
595.30249	1.1
646.22430	1.2
706.37341	2.5
707.36005	1.6
719.63544	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	706.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.0
55.05515	14.1
57.03442	6.9
57.07070	3.4
59.04995	3.1
61.02919	4.1
65.03941	1.7
67.05508	51.6
69.03423	3.2
69.07064	8.6
70.25044	1.8
71.01351	1.4
71.04996	23.1
73.02928	1.7
73.06548	1.1
79.05496	28.6
81.03423	11.8
81.07060	84.4
82.07408	1.9
83.01347	5.9
83.04980	11.0
83.08618	14.6
85.02901	6.9
85.06546	8.8
91.03964	1.6
91.05481	26.0
93.07049	29.8
93.13139	0.8
95.04973	8.7
95.08610	12.3
97.02898	3.9
97.06538	8.0
97.10157	2.4
99.04454	2.6
99.08083	1.6
100.37674	0.8
105.04500	1.1
105.07027	15.1
107.04974	9.4
107.08601	18.9
109.06520	8.0
109.10158	5.9
111.04455	3.7
111.08087	1.5
117.07019	8.4
119.08587	7.4
120.31909	0.9
121.06508	3.5
121.10143	11.3
123.08080	8.7
123.11713	14.7
125.05981	2.3
127.07564	1.2
129.07014	2.1
129.74844	0.9
131.08534	5.8
133.10129	16.9
135.08087	1.1
135.11687	13.1
137.09621	2.0
139.07520	1.0
143.08640	1.0
143.63054	0.9
145.10120	11.9
147.11763	1.1
149.09595	1.6
149.13277	4.9
151.11180	7.9
153.12744	2.1
155.08563	1.6
157.09987	0.9
159.11729	5.3
163.11189	20.2
169.12195	1.4
170.08006	0.9
173.09621	2.8
177.12814	1.3
181.12251	2.9
183.13817	2.8
184.07306	1.5
187.13344	4.1
191.10692	2.8
195.13788	1.5
209.11694	4.6
223.13257	1.4
225.14828	1.6
227.12744	2.4
241.14362	1.7
253.17802	1.2
257.17346	1.3
265.14307	1.8
267.15973	1.0
269.17480	12.4
283.15411	18.7
301.20108	12.0
315.18051	1.4
324.91293	1.0
411.27408	1.1
425.32657	1.1
451.26920	83.2
452.27283	5.5
459.27576	6.8
465.28394	4.9
477.28488	47.5
478.28632	3.8
479.29755	1.3
509.31125	100.0
510.31534	6.7
533.83990	0.9
621.32581	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	706.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05037	0.9
57.07068	0.4
58.06352	0.3
58.06634	0.5
60.08169	6.6
61.02868	0.2
67.05505	0.7
67.49364	0.2
68.94149	0.1
69.07063	0.2
70.72479	0.1
71.07381	3.2
71.43061	0.1
79.05482	0.3
81.03432	0.3
81.07047	0.4
86.09714	30.6
87.04478	1.1
87.10046	0.4
91.05486	0.3
93.07051	0.3
95.04979	0.2
95.08604	0.4
98.98474	3.2
104.10748	2.5
105.07023	0.3
107.08585	0.4
109.10177	0.2
119.08567	0.2
121.10238	0.2
125.00012	20.0
132.27739	0.2
133.10115	0.2
135.11673	0.2
153.53346	0.1
159.11909	0.2
184.07353	100.0
185.07724	1.4
210.09689	0.1
267.15897	0.2
335.25818	0.2
545.38293	0.2
552.24115	0.2
557.83472	0.2
706.46735	8.6
707.37183	0.4
707.46674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.3
71.46187	0.8
79.05477	2.2
80.04995	1.1
80.41986	1.1
81.07083	0.9
83.04971	0.9
91.05440	0.8
93.00398	0.8
93.07042	3.7
94.06570	5.1
95.07349	2.6
96.08144	6.7
102.61624	0.9
103.05466	1.4
108.04457	0.8
108.08119	8.1
110.09682	13.4
119.88004	1.0
120.08096	7.8
122.06030	5.5
124.07588	1.4
124.53089	0.9
136.07568	6.7
138.08102	1.3
138.09129	13.4
140.07062	0.9
144.04475	0.9
148.07567	3.4
150.09094	1.5
152.07024	1.4
161.56931	0.9
166.08636	19.1
172.03926	2.3
173.04297	1.0
204.06601	3.7
205.06848	2.3
208.09966	1.0
209.10783	1.9
221.10829	1.2
223.12299	1.7
224.09459	1.5
225.10225	1.8
226.10754	5.0
227.11105	1.8
235.08699	3.5
236.09448	3.7
237.10207	16.3
238.10957	1.9
239.11719	2.4
247.08730	1.8
248.09416	1.9
249.10204	21.9
250.07483	1.0
250.11029	4.0
251.08084	1.9
251.11745	5.8
253.09760	4.7
255.11420	1.2
261.10242	3.8
263.08240	1.7
263.11795	2.2
264.08823	7.5
265.09683	14.4
266.10425	4.1
267.11301	7.4
268.11948	1.0
269.09082	2.0
271.10760	0.9
276.08902	2.5
277.09686	16.0
278.10464	7.4
279.07993	1.6
279.11270	15.5
280.11896	4.2
281.09262	3.9
281.12482	1.3
283.10709	2.9
289.09695	1.8
291.07507	2.3
291.11264	3.8
292.08578	1.2
292.12039	3.5
293.09177	30.2
293.12747	8.2
294.09952	2.5
295.10760	3.7
296.11520	1.5
297.08762	1.3
297.12387	1.8
305.09229	7.9
306.09933	3.4
307.10745	10.5
308.11343	1.2
309.08664	3.8
309.12286	6.2
310.09570	1.1
310.13086	1.1
311.10193	3.4
311.13785	2.0
312.11026	3.4
313.11884	1.6
314.12762	1.8
319.10699	6.4
321.08835	1.1
321.12350	1.9
323.10281	5.2
324.11157	4.2
325.11691	5.4
326.12891	1.2
327.13339	3.8
328.14648	1.9
333.08731	3.9
335.10571	1.2
337.11826	7.3
338.12729	2.0
339.13458	17.7
340.13919	2.2
341.15326	1.6
342.12222	1.9
342.16022	1.2
343.13052	2.0
344.13736	1.0
351.09763	16.1
351.41058	1.0
352.10367	1.2
353.11227	2.8
353.14877	1.9
354.12094	2.4
355.13000	4.4
356.13718	4.4
357.14771	1.9
358.15097	2.6
359.15640	2.3
365.11328	8.6
366.11951	3.7
367.12848	1.9
369.14502	2.9
370.11682	3.8
370.15601	2.3
371.12112	4.5
372.12982	1.2
372.17166	1.6
380.13864	2.4
382.11414	4.3
383.12357	7.7
384.13150	3.4
385.13879	7.3
386.14761	2.3
397.13956	24.7
398.14752	6.4
399.15698	2.5
400.16586	4.1
402.18292	1.1
404.15588	1.0
412.12576	1.3
414.18539	1.1
416.16061	2.3
418.17667	5.0
426.14340	3.8
428.15909	3.7
432.19293	1.2
442.17841	2.4
444.15341	2.6
446.17023	11.2
454.13937	9.0
458.17346	1.5
460.18387	3.6
462.20084	2.7
472.14862	16.3
473.14783	1.2
474.16333	1.7
477.19061	1.7
478.19766	5.2
486.16922	1.5
490.19687	3.7
492.17084	10.2
500.17889	1.3
504.17819	5.3
518.19220	20.2
519.19690	2.8
522.22699	1.0
524.23816	8.4
536.20117	6.3
550.21838	100.0
551.22607	49.7
552.22778	2.1
564.40118	0.9
568.22876	49.6
569.23450	2.7
587.33447	1.2
607.21698	2.7
625.22803	14.1
639.24347	7.3
641.40875	1.0
643.24176	2.8
657.25494	26.7
658.25592	1.4
675.26343	9.3
707.26361	5.5
707.39319	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	707.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
60.08165	0.6
64.38273	0.5
67.05508	2.3
69.07085	0.6
69.09849	2.0
69.10252	1.1
79.05503	1.6
80.17722	0.4
81.07069	1.8
86.09718	3.8
87.04475	1.9
91.05501	1.4
93.07093	2.3
93.44079	0.4
95.08612	0.7
97.06549	0.7
98.22708	1.1
105.07052	1.3
107.08604	0.8
119.08622	1.0
121.10143	0.7
125.00020	3.0
129.07042	0.7
131.08655	1.0
133.10136	0.7
159.11777	0.6
184.07346	12.3
185.07732	1.0
207.14891	0.5
234.51321	0.6
275.20044	0.6
316.51126	0.6
527.37579	0.9
535.26880	1.4
593.18707	0.6
609.45111	2.0
707.37604	100.0
708.37958	8.3
708.49463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05514	1.2
60.08169	0.8
63.18818	0.4
65.03926	0.4
67.05508	1.9
68.35515	0.4
69.07082	1.0
69.13850	0.9
69.14265	1.9
69.70647	0.4
70.86716	0.4
71.08657	0.4
79.05496	1.5
81.03429	0.5
81.07061	1.9
83.08635	0.4
84.18543	0.5
86.09703	3.1
87.04479	1.4
91.05492	1.6
93.07063	1.5
95.05018	0.6
95.08625	1.5
95.63386	0.4
97.10172	0.5
98.98476	0.8
105.07069	1.1
107.08586	0.5
109.10146	0.6
117.06959	0.4
119.08589	1.0
121.10173	0.6
123.27854	0.4
125.00013	2.3
126.56593	0.4
129.07024	0.7
131.08603	0.7
145.10144	0.6
157.10109	0.4
158.78348	0.4
159.11668	0.5
161.13330	0.5
169.10132	0.6
184.07353	6.8
185.07755	0.9
185.13383	0.4
429.15155	0.7
535.26648	0.4
609.45410	2.0
707.37640	100.0
708.37933	8.6
708.49835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29387	0.3
51.32014	0.3
53.03950	0.6
55.05511	1.5
57.03438	1.4
58.88031	0.3
59.05000	0.4
61.02927	3.9
65.03941	0.4
65.98369	0.3
67.05505	8.8
68.05883	0.4
69.03438	2.1
69.07078	1.0
71.05006	1.0
73.02917	2.5
79.05495	3.3
81.03418	1.9
81.07058	4.0
83.01161	0.3
83.04995	0.3
83.08630	0.9
85.02899	3.3
85.06580	0.3
87.04464	0.4
91.03957	3.0
91.05476	2.3
93.07047	3.3
95.04987	1.0
95.08601	2.2
97.02881	3.3
97.06576	0.3
97.10204	0.3
98.22688	0.6
99.04501	0.5
101.02400	0.9
103.03963	0.3
105.07034	2.1
107.04955	0.7
107.08587	1.9
109.02876	0.7
109.06514	0.4
109.10151	6.0
111.08107	0.4
115.03944	0.5
116.03403	0.3
117.07031	0.8
119.08560	2.3
119.09278	0.2
121.10184	0.8
123.11752	0.3
123.48127	0.3
127.03934	1.3
129.05452	0.5
129.07022	0.4
131.08591	1.0
131.12267	0.3
133.10161	1.5
135.11742	1.0
136.71361	0.3
137.05928	0.3
137.09676	0.6
143.08557	0.5
145.10132	0.8
147.08009	0.4
147.11716	0.8
155.10716	0.8
159.11726	0.5
161.13301	0.5
169.10175	0.4
171.11763	0.6
173.11768	2.0
173.13112	0.3
184.07346	0.6
185.04269	0.9
187.18106	0.3
195.09984	0.7
203.05380	0.4
221.11575	0.4
229.14415	1.0
236.85493	0.3
243.08388	2.6
259.20749	0.5
262.11490	0.3
269.17792	0.4
301.09064	1.1
311.90097	0.3
315.10635	0.4
317.20923	0.4
342.75119	0.3
373.11447	0.8
377.22287	0.4
385.18649	0.4
413.17798	9.5
413.23257	0.5
437.22910	0.3
485.20059	1.3
509.27151	0.5
527.25122	0.6
527.37158	1.0
535.28760	3.3
536.29364	0.5
545.38440	1.9
569.29523	0.5
637.31915	0.4
707.39746	100.0
708.40094	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	708.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13287	2.6
53.03939	6.7
54.00893	2.5
55.01888	18.6
55.05517	45.6
57.03441	31.6
57.15854	2.5
60.68662	3.1
61.02928	9.5
67.05510	60.6
69.03439	12.3
69.07090	16.1
71.01346	3.4
71.04996	12.6
72.61765	2.5
73.02914	7.7
79.05497	54.1
81.03424	100.0
81.07064	52.0
82.03759	3.1
82.04204	5.5
83.04993	30.9
83.08626	41.8
85.02918	33.4
85.06561	5.8
91.05492	52.6
93.07051	39.6
95.04975	58.9
95.08637	21.5
97.02911	10.4
97.06550	16.0
97.10184	18.5
98.07327	3.6
99.08115	2.9
105.04597	2.7
105.07044	39.5
107.04971	13.2
107.08611	23.8
109.06528	8.0
109.10188	15.0
111.04457	6.0
111.08115	14.3
116.04726	12.1
117.07061	8.5
119.08589	30.2
121.06545	6.6
121.10159	14.9
123.08100	7.3
123.11731	4.1
125.09631	21.7
129.05487	25.9
129.06985	17.1
131.08603	24.2
133.06538	4.5
133.10104	17.5
135.11743	6.2
137.09616	2.7
142.07802	3.4
143.07077	7.4
145.10123	9.3
147.08064	6.7
147.11713	29.6
149.09641	8.2
153.12793	3.2
157.08626	13.6
157.10147	25.4
163.11191	14.1
165.12769	5.0
171.06598	4.8
171.10220	5.7
175.11185	23.5
181.12286	5.2
189.11206	5.4
191.10736	3.4
193.12263	87.4
194.12663	4.2
199.13318	15.4
200.13977	3.2
209.11723	9.1
211.13312	93.7
214.39511	2.4
227.12801	12.3
239.10106	2.9
247.13216	5.4
255.15935	6.9
267.15952	27.3
283.15408	13.6
285.16986	64.0
286.17490	4.1
301.16467	59.2
427.26782	6.0
439.26956	19.1
459.27393	3.9
475.27142	4.4
476.27740	4.7
477.28696	4.8
493.28116	19.1
511.29123	55.8
512.29224	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	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.1
55.01874	3.0
55.05513	15.9
57.03440	13.1
57.07077	1.3
59.05021	1.7
61.02916	3.9
65.03947	2.4
67.05505	60.2
69.03426	3.8
69.07072	11.0
70.70999	1.6
71.04994	27.7
73.02927	1.5
79.05492	34.2
79.95869	1.2
81.03423	47.9
81.07057	100.0
83.04987	12.4
83.08621	21.7
83.82203	1.0
85.02911	19.1
85.06541	11.2
87.04475	1.4
91.03947	1.0
91.05476	43.7
93.07044	29.8
95.04974	22.5
95.08605	14.9
97.02863	6.0
97.06526	6.1
97.10182	3.4
99.04449	1.5
99.08096	2.1
105.04488	1.0
105.07032	26.4
107.04966	6.3
107.08591	16.8
109.06535	6.5
109.10163	9.1
111.04459	2.4
111.08100	9.1
113.06004	2.5
117.07019	5.3
119.08580	15.9
121.06489	2.0
121.10131	9.7
123.08068	1.9
123.11715	16.3
125.09628	3.1
129.07013	7.8
131.08565	15.3
133.06505	2.0
133.10132	23.8
133.33328	1.2
135.08078	1.1
135.11752	2.4
137.09654	1.3
142.07832	1.6
145.10123	2.6
147.08044	1.5
147.11694	11.9
149.09622	4.8
149.13191	8.0
151.11194	8.9
157.10124	12.1
159.11710	4.9
163.11148	1.3
165.12790	2.3
169.12268	1.8
175.11186	11.7
177.12880	1.9
183.13826	2.0
187.13326	3.7
193.12263	31.5
195.13806	3.2
211.13303	24.4
213.14912	1.4
243.15964	3.2
253.18074	1.3
257.17484	2.1
267.15927	22.4
269.17487	13.9
283.15286	1.1
285.17007	22.9
301.20062	15.0
411.83868	1.1
417.26361	2.1
435.27435	28.5
443.28140	2.5
453.28464	61.9
454.28754	3.8
461.28979	53.6
462.29309	3.0
467.30103	9.2
479.30060	52.3
480.30426	3.1
487.61200	1.1
493.31873	2.5
511.32718	53.5
512.32928	2.4
520.63519	1.1
597.32489	1.3
616.10394	1.3
650.89441	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	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98438	0.6
53.03938	1.8
55.01867	1.3
55.05512	6.1
56.91582	0.6
57.03441	9.8
67.05507	25.4
67.86263	0.6
69.03419	1.2
69.07065	8.5
71.05004	2.9
79.05495	13.6
81.03417	43.1
81.07057	35.6
83.04989	4.7
83.08131	0.8
83.08620	14.3
85.02908	0.8
85.06540	1.9
91.05487	11.6
93.07047	23.7
95.04974	16.2
95.08610	7.3
97.02889	1.4
97.06539	5.4
97.10174	2.1
98.23518	1.4
99.08100	1.3
105.07034	8.7
105.09238	0.6
107.04930	3.0
107.08596	13.1
109.06512	2.4
109.10171	1.5
111.04442	1.5
111.08089	6.4
113.09705	0.6
117.07002	4.0
119.08580	6.4
121.06544	1.4
121.10156	10.2
121.11007	1.1
123.08051	0.7
123.11722	1.4
123.27491	0.8
125.09624	0.6
129.06996	4.0
131.08566	6.5
133.06500	1.4
133.10120	5.4
135.08043	1.0
135.11728	3.3
137.09615	1.0
139.11153	1.0
142.07823	0.9
145.06583	0.6
145.10158	1.1
147.08067	1.9
147.11684	4.8
149.09599	2.9
149.13258	15.0
157.10133	6.2
159.11682	5.8
165.12807	1.1
175.11168	5.4
177.12711	2.8
185.13243	0.7
193.12244	11.9
195.13846	3.7
204.60405	0.5
211.13350	1.3
211.15471	0.7
218.99844	0.6
235.13490	0.6
243.47543	0.6
246.60570	0.6
249.14842	1.4
267.15906	46.1
268.16165	1.1
269.17477	49.7
270.17819	1.2
303.55817	0.6
334.61447	0.6
387.25562	0.7
417.26303	1.1
435.27411	5.4
443.27914	1.5
461.28979	100.0
462.29431	4.9
479.29868	2.6
503.30109	1.4
511.32446	1.7
528.83142	0.6
543.86548	0.7
550.94226	0.6
569.31665	0.6
587.31726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48567	0.6
56.43637	0.6
57.24547	0.7
87.12202	0.5
93.07072	1.4
94.06578	2.3
95.07365	1.2
96.08125	3.2
98.22871	0.7
108.08137	3.6
110.09690	5.9
120.04499	2.1
120.08118	3.7
122.09666	1.3
124.07590	1.9
136.07585	3.6
138.09143	9.1
146.05998	1.2
148.07617	1.6
150.05626	0.9
150.09174	1.8
152.07106	0.8
153.95697	0.7
166.08655	8.3
167.03412	1.7
167.09021	0.7
172.03922	1.3
174.50365	0.6
176.07080	1.0
190.04948	1.6
204.06662	1.9
213.10281	1.3
220.09746	0.7
221.10828	0.7
223.12337	0.8
225.10303	1.8
227.11853	1.5
235.08751	0.9
235.12303	0.7
237.10161	5.0
238.11021	1.7
239.08263	1.4
239.11873	2.7
241.09737	0.8
248.09343	1.2
249.10182	5.0
250.11031	1.4
251.08096	2.9
251.11760	5.0
252.12634	1.2
253.09735	3.2
255.11295	1.0
261.10211	2.2
262.11160	1.1
263.08057	0.7
263.11795	3.1
264.12631	0.8
265.09842	5.4
265.12720	0.7
265.13251	0.5
266.10498	2.8
267.11319	4.3
269.09122	0.8
271.10883	1.3
277.09787	2.7
278.07690	0.6
278.10553	4.3
278.15884	0.6
279.07748	3.0
279.11346	8.8
280.12064	1.8
281.09344	2.4
281.12906	2.2
282.10104	1.6
283.10889	6.2
283.14224	1.2
285.12357	3.2
287.10614	0.7
287.13757	1.5
289.09698	5.5
290.10422	0.7
291.11243	2.9
293.09378	1.5
293.12848	3.8
294.10010	4.7
294.13055	0.9
295.10944	3.0
295.14117	0.7
296.11548	2.4
297.08832	0.8
297.12329	2.1
299.10291	2.6
303.13480	2.2
306.09903	1.5
307.06711	0.6
307.10745	2.0
308.11722	1.3
309.08878	0.8
309.12381	2.6
310.13345	1.0
311.10342	5.9
311.13937	2.7
312.11078	2.7
313.11984	2.2
314.12738	1.7
317.09131	0.8
323.10455	1.3
323.13852	1.3
324.10986	2.2
325.11737	3.2
326.12573	4.8
327.13364	7.7
335.10266	9.9
337.11990	1.2
339.09848	2.0
339.13409	50.7
340.10468	2.4
340.13895	2.1
342.15710	0.9
352.10748	1.0
353.11346	1.0
354.12146	6.3
355.12912	17.7
356.13232	0.9
357.14618	1.8
367.12906	36.2
368.13354	1.9
371.12259	1.0
386.14890	0.7
387.15567	0.8
399.15845	0.9
404.15900	0.8
414.14520	0.7
415.15140	1.8
432.15936	0.9
447.17645	0.8
451.21335	0.8
460.18802	1.7
474.16351	1.5
479.20673	2.9
488.18164	7.1
489.18695	0.8
492.21457	6.2
520.20837	100.0
521.21039	7.5
538.22070	1.7
552.23474	61.6
553.23700	5.4
627.24561	8.5
628.24927	0.8
659.27167	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	709.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05511	2.5
57.03435	3.5
61.02937	4.1
67.05505	8.7
68.05840	1.0
69.03438	2.1
69.07075	1.6
71.04984	2.7
73.02927	3.1
79.05499	5.5
81.03416	4.8
81.07057	9.3
82.07430	0.8
83.04991	1.9
83.08622	2.5
84.01897	0.8
85.02878	4.3
85.06538	0.9
91.03969	2.8
91.05483	6.1
93.07041	6.8
95.01093	0.8
95.04985	2.6
95.08636	2.8
97.02875	3.9
97.06529	1.5
97.10198	1.4
99.04455	1.0
101.02371	0.8
105.07027	3.3
107.04948	1.1
107.08607	2.9
109.06577	1.1
109.10156	1.7
111.08107	0.8
117.06975	1.0
119.08604	1.7
121.10185	1.0
125.09652	1.2
127.03919	1.9
129.05539	2.1
129.07080	1.1
131.08611	1.0
133.10126	2.3
135.11694	0.9
147.11748	3.3
148.46826	0.6
149.13312	1.2
159.11635	0.8
163.11279	1.1
185.04224	4.5
193.12157	1.7
199.05791	0.8
199.13290	1.0
201.03706	1.7
201.14864	0.8
209.11879	0.8
229.14445	1.9
243.08502	3.0
247.12968	4.2
267.16019	1.7
268.16382	0.7
269.17511	2.6
270.18036	1.0
281.17688	1.0
287.16019	1.2
301.08923	14.0
301.16422	1.1
315.10391	3.7
341.12231	1.7
343.13998	0.8
345.16879	3.1
357.15225	1.1
371.16837	2.5
373.11023	5.8
383.17004	2.6
385.18289	5.4
391.17340	1.7
415.15927	1.3
429.17490	1.8
429.26276	1.9
443.18848	1.9
453.28189	0.8
454.28583	1.1
455.19000	2.3
457.20834	1.1
461.29141	0.9
462.29401	2.8
465.20947	11.4
467.18845	1.6
479.30316	2.1
480.30530	3.0
481.20490	4.1
485.19748	0.9
495.22116	7.6
495.28943	1.1
496.22964	1.6
511.32196	1.1
512.32843	1.7
524.22260	4.8
527.27856	0.8
537.22919	6.2
551.24438	1.5
565.30255	3.9
579.30890	2.9
580.32129	3.1
607.30865	5.5
608.31818	3.1
621.33240	0.9
649.32379	1.2
651.34039	0.9
663.33826	1.4
691.32904	1.9
692.34137	1.2
709.33960	100.0
710.34381	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	709.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01876	0.5
55.05521	1.2
57.03443	1.8
61.02932	3.5
62.52897	0.2
65.03970	0.2
67.05509	4.7
69.03429	2.3
69.07077	0.8
69.80141	0.8
71.05004	2.7
72.05981	0.2
73.02920	2.8
79.05499	4.4
81.03429	1.7
81.07058	5.3
83.04998	0.8
83.08636	0.8
85.02916	3.5
85.06561	0.6
87.04489	0.4
91.03966	2.3
91.05494	3.7
93.07056	4.0
95.04991	1.0
95.08607	1.9
96.96441	0.2
97.02907	3.4
97.06544	0.8
98.23270	0.5
99.04478	0.9
101.02386	1.6
101.75341	0.2
103.03924	0.3
105.07042	2.7
107.04981	0.4
107.08591	1.5
109.02907	0.6
109.06532	0.6
109.10171	0.9
111.08105	0.3
117.07043	0.7
119.08587	1.2
121.10176	0.6
123.08151	0.2
123.11713	1.1
127.03918	1.3
129.07053	1.0
131.08542	0.4
133.10158	2.3
135.11679	0.5
140.96315	0.2
143.08606	0.3
145.10190	0.9
147.11702	1.5
149.13306	0.9
151.11201	1.1
159.11745	0.8
161.09642	0.3
161.13350	0.4
168.16399	0.2
171.11736	1.2
182.47247	0.2
183.06593	0.3
183.13821	0.3
187.13376	0.6
195.13829	0.4
197.95862	0.3
201.14874	0.2
203.05325	0.5
207.13815	0.3
243.08405	2.5
247.13094	1.5
257.17517	0.7
267.15665	1.6
269.17511	0.5
281.17642	0.4
303.15854	0.6
323.18402	0.4
441.20798	0.3
453.21222	0.3
465.20978	8.8
466.21378	0.5
482.44296	0.3
485.23651	6.5
486.24316	0.4
547.32349	0.5
709.37708	100.0
710.37982	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	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01862	2.7
55.05513	10.6
57.03181	0.9
57.03437	12.1
61.02915	1.1
65.03938	1.8
65.84502	0.6
67.05502	15.9
69.03452	3.8
69.03746	0.8
69.07073	5.3
70.83961	0.9
71.01356	0.9
71.04986	2.9
77.03956	0.7
79.05485	18.4
79.24592	0.6
81.03415	79.0
81.07050	17.9
82.03743	0.8
83.04974	7.8
83.08617	18.9
85.02903	11.2
85.06536	1.4
91.03974	0.8
91.05479	22.9
93.07045	12.1
95.04967	26.0
95.08601	7.3
95.93334	0.7
97.02885	2.7
97.06525	2.7
97.10155	4.6
99.08056	1.1
103.05537	0.7
105.07023	18.9
105.07730	0.9
107.04967	8.2
107.08596	7.2
109.06515	3.4
109.10133	3.7
109.21476	0.8
111.04443	1.8
111.08077	7.5
113.05979	1.8
115.05432	1.3
117.07014	2.4
119.04945	1.3
119.08585	14.7
121.06456	3.6
121.10140	8.2
123.04490	0.9
123.08074	2.0
123.11682	1.2
125.09606	3.1
129.07002	10.6
131.04890	0.9
131.08554	11.3
133.06514	3.7
133.10124	8.3
135.08051	2.0
135.11606	0.8
137.09622	1.6
141.06931	0.7
142.07787	2.6
143.08583	1.2
145.04903	0.6
145.06461	3.6
145.10124	2.8
147.08072	4.5
147.11685	12.4
149.09584	5.4
150.57306	0.6
151.07576	0.8
155.08478	1.1
157.06479	1.5
157.10117	13.2
159.08078	1.1
163.11218	1.6
165.12720	2.2
171.08121	1.0
173.09531	0.9
175.11182	11.8
187.11275	0.7
189.11185	1.3
189.12753	1.0
193.12228	30.7
194.12480	0.7
205.12328	0.8
211.13261	13.8
211.15117	1.1
213.12769	1.0
219.13826	0.9
227.12640	1.3
229.14478	0.9
237.12787	0.9
249.14861	2.2
255.13818	1.9
259.15515	1.2
267.15900	100.0
268.16141	3.4
273.14917	3.7
285.16956	16.4
287.16443	0.7
298.41675	0.7
341.21112	0.8
349.21579	2.4
367.22726	8.1
385.23694	10.7
403.24756	2.5
405.24084	1.0
415.24500	1.1
433.25873	14.1
441.26172	6.7
459.27386	70.4
460.27878	3.8
463.22839	0.9
477.28476	42.0
478.28503	1.8
495.29028	2.1
501.28015	1.2
519.29541	1.4
583.43274	0.8
585.30548	0.8
595.76007	0.8
603.30957	0.9
649.98370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
53.87109	0.5
55.01874	4.9
55.05509	8.1
57.03179	0.8
57.03436	8.8
57.07068	1.1
59.05002	1.1
61.02907	2.0
65.03935	1.1
67.05502	33.3
69.03433	3.5
69.06715	0.7
69.07065	8.9
70.16373	0.7
70.16703	1.2
71.04991	4.5
73.02906	1.4
78.60291	0.6
79.05038	1.0
79.05489	16.2
81.03416	36.0
81.07051	30.7
83.04980	7.3
83.08614	11.2
85.02912	5.3
85.06538	4.1
86.09692	1.3
91.03945	0.7
91.05479	26.3
92.05795	0.8
93.07044	17.7
95.04417	1.1
95.04971	14.3
95.08617	7.6
97.02888	2.7
97.06533	3.3
97.10146	3.0
99.04423	1.5
99.08079	1.1
105.04520	0.8
105.07027	20.9
107.04956	4.2
107.08585	20.2
108.08916	0.9
109.06522	4.6
109.10153	35.0
111.04418	2.2
111.08059	3.7
113.06004	2.4
113.96123	0.7
115.05437	0.8
117.06981	2.7
119.08572	8.0
121.06518	1.8
121.10149	5.1
123.04369	0.6
123.08061	1.7
123.11706	6.0
125.09619	2.0
127.07525	2.2
128.06201	0.9
129.06995	4.5
131.08557	5.8
133.06485	1.3
133.10121	45.3
134.10425	1.4
135.07994	1.0
135.11647	2.8
137.05956	0.7
137.09605	1.6
142.07750	1.5
143.08554	0.8
145.10133	2.7
147.08043	2.2
147.11652	3.8
149.09596	3.2
149.13251	1.7
151.11176	25.2
157.10121	5.7
159.11708	1.2
161.09587	2.0
163.11180	3.0
165.12727	0.9
169.12202	3.0
173.11749	1.0
175.11174	5.2
177.12859	0.9
179.10658	2.2
184.07309	3.2
191.10580	0.9
193.12239	15.7
193.74733	0.7
194.12599	0.9
195.13690	1.0
209.11732	2.7
211.13272	7.4
215.12767	1.7
227.12758	1.6
229.14323	2.2
253.14334	100.0
254.14687	2.8
254.87520	0.6
259.16959	0.7
267.15897	40.0
268.16296	1.3
269.17471	6.6
271.15384	24.5
283.15372	1.3
285.16919	7.0
287.18338	0.7
301.16669	3.1
309.17053	0.8
328.32114	0.6
371.22147	0.7
389.22998	0.9
423.27322	2.1
445.25867	19.8
446.26108	0.8
459.27344	1.4
463.26849	55.0
464.27048	2.7
477.28461	5.5
481.28323	0.8
495.29312	12.1
505.28043	1.4
513.30219	1.2
571.28937	0.9
589.30383	1.0
710.35114	2.4
711.35303	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	711.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
54.46913	0.4
55.05515	2.4
57.03442	2.5
61.02903	1.6
67.05505	7.5
68.05822	0.6
69.03416	1.4
69.07043	2.1
71.04980	1.1
73.02888	1.2
80.05809	0.6
81.03046	0.4
81.03413	5.1
81.06624	0.6
81.07055	8.1
82.03732	0.5
82.07379	1.2
83.04963	2.0
83.08634	2.4
85.02875	1.6
85.06538	0.6
91.03933	0.9
91.05479	4.6
92.05824	0.9
93.07042	5.1
94.07363	1.0
95.04947	2.1
95.08573	2.1
97.02862	1.4
97.06516	0.9
97.10135	0.7
105.07034	3.0
106.07315	0.8
107.04923	1.5
107.08598	2.8
108.08868	0.8
109.06441	0.8
109.10158	2.9
110.10493	0.8
111.04429	0.9
111.08049	0.9
113.05984	0.6
117.07011	1.1
119.08533	2.1
121.10114	1.6
123.08023	0.5
123.11642	0.7
125.09583	0.8
127.03875	0.5
129.05446	0.6
129.06950	1.1
131.08530	1.6
133.06491	0.5
133.10150	2.7
134.10429	1.1
135.11650	1.1
137.83630	0.6
145.10115	0.6
147.11674	1.1
149.09598	0.7
149.13255	0.7
151.11154	1.3
163.11169	1.3
184.07329	0.9
185.04070	0.7
191.10681	0.6
193.12198	1.7
194.12531	0.7
195.13858	0.6
209.11662	1.5
211.13243	1.5
212.13748	0.6
227.12737	1.9
229.14299	1.1
236.79108	0.5
243.08377	0.7
249.10997	1.6
253.14359	3.3
254.14606	1.7
265.14090	0.5
267.08926	0.5
267.15878	2.3
268.16049	1.1
269.17563	2.9
270.17615	1.5
279.86377	0.5
283.15274	1.4
284.15625	0.8
285.10022	0.5
285.16830	1.5
286.17184	1.1
301.08789	1.6
301.16238	0.7
302.16620	0.6
305.13718	0.6
347.14505	1.0
371.16873	0.6
373.10962	1.3
433.25510	1.8
443.18518	0.5
446.25757	0.8
460.27475	0.7
463.26819	0.8
464.26965	1.1
467.18707	2.6
477.28693	0.9
478.28604	2.2
485.17325	1.2
485.23718	0.6
495.29086	2.1
496.29837	5.5
497.30441	0.6
539.20807	1.0
581.28345	0.5
609.27997	0.6
639.29285	1.2
665.31097	0.7
679.32367	1.5
693.31378	0.9
711.29596	100.0
712.29749	7.9
731.41486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01873	1.7
55.05514	5.6
57.03445	4.9
61.02932	4.0
61.79929	0.6
65.03892	0.6
67.05173	1.1
67.05509	15.6
68.05837	1.4
69.03423	3.6
69.07076	4.2
70.00761	1.7
70.07412	0.7
71.04974	2.0
71.09326	0.7
73.02917	2.8
79.05498	9.7
80.05811	1.0
80.59196	0.6
81.03434	5.9
81.06631	0.9
81.07065	14.5
82.03741	1.2
82.07368	2.2
83.04982	3.2
83.08636	3.3
84.08955	0.8
85.02919	5.8
85.06522	1.3
88.22308	0.8
91.03968	3.8
91.05035	0.7
91.05488	6.8
92.05805	1.4
93.07050	9.5
94.07378	1.2
95.04961	3.3
95.08617	4.9
97.02901	3.6
97.06515	2.6
97.10147	2.0
99.04422	1.0
101.02359	1.2
105.07068	3.6
107.04976	1.4
107.08587	5.8
108.08904	1.4
109.02827	0.9
109.06467	1.9
109.10170	7.1
110.10492	1.7
111.04404	1.0
111.08057	2.1
117.07027	1.2
119.08559	2.8
121.10136	3.8
122.10444	0.7
123.04240	0.8
125.09654	1.5
126.64404	0.6
127.03917	1.8
129.05444	1.1
131.08545	2.3
133.10129	4.7
134.10490	0.9
135.08022	0.9
135.11729	3.7
137.09660	0.8
139.11205	0.8
145.10117	1.8
147.11662	1.9
149.09738	0.8
149.13222	2.5
150.13560	1.1
151.11192	1.6
157.10094	1.2
159.11642	1.5
163.11168	3.2
165.17274	0.7
173.11772	1.4
175.11176	1.1
181.04601	1.3
181.12186	0.9
184.07307	2.0
185.04219	2.9
193.12257	3.5
194.12608	0.9
195.13779	1.5
199.13211	1.3
201.03514	1.1
209.22093	0.7
211.13307	1.7
212.13515	1.1
227.12743	2.8
229.14368	5.7
230.14688	2.0
243.08551	3.6
249.11044	12.7
253.14227	2.7
254.14561	3.2
267.15738	2.5
268.16199	2.5
269.17487	7.3
270.17947	5.2
271.15402	0.9
272.15533	1.0
275.12415	1.0
283.15277	2.1
284.15833	1.3
285.16858	3.0
286.17294	1.5
289.14035	2.6
301.06119	0.6
301.08972	9.6
301.16318	2.4
302.16583	1.4
315.10437	3.3
341.12213	1.1
347.14664	5.4
355.13354	0.7
356.07251	0.7
357.15222	1.0
365.15546	2.2
371.16614	2.4
373.11154	7.0
383.16599	2.8
385.18338	5.1
387.12466	1.8
393.15277	6.5
401.13708	1.2
405.29477	0.8
423.27524	4.2
424.27841	6.4
429.17578	0.8
431.23846	1.6
443.18799	4.7
457.20197	1.2
464.26614	1.8
465.20782	2.8
465.27979	0.7
467.18909	13.6
469.21091	0.9
471.21432	0.8
477.23587	1.0
478.28479	2.7
482.20883	1.6
485.19373	1.0
487.21127	1.3
495.29367	2.2
496.29892	7.5
505.35300	0.9
526.20227	7.3
531.32574	2.0
539.20795	6.6
553.21979	1.8
567.23566	2.0
581.25568	1.1
609.28802	4.4
610.29919	5.4
639.29126	3.1
649.31818	0.8
653.31036	1.3
679.31927	2.1
693.30133	2.1
694.31201	1.4
711.32031	100.0
712.32166	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	711.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01867	1.8
55.05509	5.4
57.03433	4.0
57.07059	0.9
59.05000	1.1
61.02923	4.2
65.03946	0.9
67.05503	14.8
68.05820	1.9
69.03434	2.8
69.07072	3.7
69.20760	3.1
71.01343	0.7
71.04987	2.2
72.50687	0.6
73.02909	3.4
80.05831	1.2
80.57187	0.6
81.03403	5.4
81.07059	14.5
82.07383	2.9
83.01062	0.8
83.04995	2.8
83.08614	3.9
85.02901	7.3
85.06550	1.2
86.03270	0.5
91.03950	3.7
91.05476	6.5
92.05814	1.0
93.07043	8.6
94.07388	0.9
95.01078	0.7
95.04962	2.4
95.08604	3.9
96.08964	0.6
97.02889	4.5
97.06538	2.1
97.10155	2.4
99.04497	0.9
100.19312	0.6
101.02370	1.4
105.07044	3.0
106.07361	0.7
107.04951	0.8
107.08585	5.5
108.08926	1.6
109.02850	0.7
109.06510	1.2
109.10144	5.1
110.10485	0.9
111.08067	1.0
115.03939	0.7
117.05499	0.7
117.06979	1.4
118.60593	0.6
119.08556	2.7
120.08895	0.6
121.10142	3.1
122.10448	0.6
123.08038	0.5
123.11665	0.9
125.00013	0.6
125.09634	2.4
127.03882	1.8
129.05478	1.7
129.07011	1.8
131.08557	1.7
132.08965	0.6
133.10127	3.5
135.08092	0.9
135.11685	2.2
137.09555	0.9
145.04918	0.6
145.10106	1.2
147.11671	1.5
149.09615	1.1
149.13277	1.9
150.13576	0.9
159.11743	1.2
163.11191	2.0
173.11732	1.5
173.26492	0.6
175.11169	0.7
184.07370	2.9
185.04219	4.3
193.12273	1.1
195.13884	1.1
196.14021	0.7
199.13263	1.8
201.03687	2.4
201.79947	0.7
209.11751	1.3
211.13278	0.8
227.12776	0.9
229.14281	4.8
230.14732	2.1
241.06891	0.7
243.08371	3.9
249.11037	1.9
259.07919	0.7
267.15900	1.1
269.17477	6.3
270.17841	3.9
275.12479	1.0
281.06299	0.6
283.15344	2.1
285.16965	1.6
301.08939	10.6
301.16302	1.1
302.16891	0.7
314.88861	0.5
315.10471	2.7
327.10489	2.0
329.11826	0.7
341.12164	0.8
343.13693	0.7
347.14697	1.5
352.25446	1.0
357.15039	0.8
365.15842	1.1
369.15262	2.2
371.16559	0.9
373.10995	5.8
383.16687	2.3
385.18201	6.1
387.12582	1.0
393.15244	0.7
399.12689	0.7
401.45392	0.7
403.24603	0.7
413.17831	0.7
415.15433	0.7
423.27283	2.5
424.27820	4.8
429.17471	2.9
431.23813	0.6
435.76788	0.6
439.19342	1.6
443.18610	1.0
449.24951	0.7
450.29605	0.7
455.18985	1.9
457.20279	2.1
465.99905	0.6
467.18909	10.6
469.20093	1.2
469.30661	0.7
470.21310	1.4
478.28662	1.3
485.19012	0.6
495.29434	1.4
496.29648	4.4
497.19958	3.4
498.20636	2.2
511.21478	1.2
539.20416	3.2
553.22028	1.3
567.23529	1.2
581.29407	7.5
582.29614	1.6
609.28888	3.1
610.28778	1.1
637.31390	0.8
639.29944	3.3
665.31335	2.0
667.32758	0.8
679.32458	2.0
693.31372	1.4
694.31769	1.3
711.32251	100.0
712.32410	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	711.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01870	1.1
55.05511	2.1
57.03435	2.3
61.02927	3.9
67.05504	7.4
69.03418	2.0
69.07071	1.2
71.04988	3.5
73.02912	3.1
75.47103	0.3
80.05827	0.4
81.03409	2.0
81.07055	7.5
82.07393	0.7
83.04983	0.9
83.08613	1.9
85.02905	3.8
85.06538	0.8
86.09718	1.2
87.10072	0.4
91.03954	2.3
91.05476	4.5
93.07046	4.7
94.07388	0.8
95.04980	0.9
95.08588	3.0
97.02892	3.1
97.06554	1.0
99.04466	1.0
101.02400	1.5
103.03970	0.4
105.07023	1.8
107.05009	0.6
107.08591	2.7
108.08899	0.5
109.02873	0.9
109.10166	1.5
111.08136	0.9
117.07063	1.1
119.08604	1.1
121.06509	0.5
121.10149	2.2
123.11728	1.2
125.00026	1.5
127.03955	1.2
131.08585	0.8
133.10184	2.2
135.08076	0.5
135.10727	0.6
135.11690	3.1
145.10146	1.6
147.11736	0.4
149.09604	0.5
149.13303	1.1
151.11194	0.9
159.11623	0.5
163.11183	4.3
181.12318	0.7
184.07333	5.2
185.04262	0.5
185.07744	1.1
195.13794	0.7
203.05237	0.7
219.09981	0.6
227.12798	2.9
229.14507	0.5
243.08389	1.9
249.10991	6.6
267.15933	1.1
268.16425	0.8
269.17551	1.1
270.17819	0.7
283.15469	0.7
301.16739	0.6
301.19971	0.5
305.13647	1.5
323.18344	0.7
346.50940	0.4
389.66455	0.4
424.27826	0.8
441.21033	0.5
453.20975	0.8
462.28839	0.4
467.18906	10.2
468.19342	0.6
485.23541	8.9
486.23856	0.5
496.29709	1.9
549.30096	0.5
679.33398	0.6
711.35547	100.0
712.36060	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	711.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05528	1.6
57.03437	2.1
58.85847	0.3
61.02929	4.0
63.69730	0.3
67.05502	5.2
68.05874	0.3
69.03431	2.3
69.07076	1.2
69.31858	0.6
69.32265	1.0
71.01349	0.3
71.02716	0.3
71.04991	2.9
73.02921	2.8
78.04900	0.3
78.74260	0.3
81.03428	2.4
81.07056	6.3
82.07397	0.6
83.04999	1.0
83.08627	1.4
85.02910	4.7
85.06541	0.6
87.04465	0.4
91.03955	2.4
91.05482	3.2
91.06005	0.4
92.05814	0.4
93.07040	3.2
95.04989	1.0
95.08632	0.9
97.02895	3.9
97.06558	1.1
98.01120	0.3
99.04467	1.0
101.02406	1.4
103.03964	0.4
105.07018	1.5
107.04974	0.5
107.08597	2.5
109.02895	0.6
109.06549	0.8
109.10188	1.4
111.04503	0.4
112.08450	0.3
117.07029	0.7
119.08620	0.5
121.10192	1.0
123.08086	0.6
123.11718	0.8
127.03940	1.3
131.08582	0.8
133.10104	1.9
135.11674	1.5
145.10184	1.2
149.13301	1.0
151.11252	0.8
153.12750	0.4
159.11739	0.7
163.11215	1.5
173.09634	0.5
173.11720	0.3
181.12297	0.4
183.13803	0.3
185.04289	0.4
195.13797	0.5
203.05321	0.4
209.11734	0.5
243.08466	2.1
249.11041	0.7
257.17410	0.7
267.15744	1.9
269.17599	1.1
270.17865	0.4
281.13617	0.6
283.15356	0.8
423.27802	0.5
424.27740	0.6
438.29318	0.5
453.21121	1.3
464.30792	0.4
467.18900	6.5
485.23526	4.7
496.29608	0.6
499.21500	0.6
503.56912	0.4
549.31262	0.5
657.27057	0.3
679.32880	1.8
711.35596	100.0
712.35938	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	712.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01879	11.6
55.05517	10.3
56.83873	1.1
57.03447	19.0
59.05012	1.2
61.02933	4.4
62.80145	1.0
65.03951	1.5
67.05511	27.0
69.03438	6.8
69.07072	12.4
69.26941	5.2
71.01375	1.8
71.05013	5.2
73.02927	4.3
79.05497	27.2
79.05952	2.1
81.03425	100.0
81.07057	28.8
82.03770	2.0
82.04209	1.7
83.04987	12.4
83.08619	9.8
85.02920	8.9
85.06559	1.3
86.09718	5.0
87.04500	3.0
91.03966	2.6
91.05486	34.1
93.07045	21.1
93.07594	1.4
95.04979	19.4
95.08601	9.9
97.02904	6.6
97.06540	8.5
97.10157	5.8
98.22792	2.5
99.04475	3.2
99.08176	1.6
105.04594	1.4
105.07043	10.9
107.04977	10.0
107.08611	17.4
109.02883	1.6
109.06527	5.2
109.10184	12.2
111.04510	2.5
111.08105	5.3
116.04706	5.6
117.07035	8.0
119.08592	25.5
120.05780	2.0
121.02880	4.9
121.06517	8.7
121.10167	6.9
123.04424	1.2
123.08096	3.7
125.00015	1.8
125.05996	3.7
125.09658	12.1
127.03983	1.2
128.06310	1.4
129.05479	16.4
129.07042	4.7
131.08611	6.9
133.06503	1.8
133.10135	8.1
135.08049	13.5
135.11729	4.7
136.08786	1.1
137.09639	15.0
139.11241	1.3
142.07822	1.6
143.07085	8.7
145.04953	1.4
145.06473	1.5
145.09135	1.1
145.10063	5.4
147.04463	1.1
147.08051	8.0
147.11702	6.0
149.09660	2.8
151.11154	2.0
153.09116	13.1
153.12778	2.7
155.08574	2.1
157.08643	5.5
157.09933	5.8
163.07553	7.2
163.11198	6.4
165.09143	17.4
165.12906	1.4
171.06479	1.2
171.10188	2.8
171.11569	1.1
173.09575	1.5
173.11800	2.9
175.11246	5.5
177.09181	1.3
177.11087	1.1
181.08580	7.2
181.12259	1.7
184.07364	9.0
185.11797	1.3
189.11205	3.5
191.10704	4.6
192.28751	1.1
193.12282	12.3
199.09592	5.2
199.13347	1.5
201.11259	3.8
209.11838	3.1
211.13347	7.1
216.48148	1.2
219.10161	10.5
219.13815	3.2
227.12756	7.4
229.14302	6.5
237.11304	1.1
239.12798	41.4
240.13010	1.3
243.08496	1.5
245.13986	1.3
247.13377	3.0
249.11067	1.8
255.12274	5.9
255.16090	1.3
267.15952	18.7
268.16150	1.5
271.15292	1.4
273.13406	3.7
283.15527	3.6
285.16953	3.9
293.13824	4.7
301.16513	18.3
321.17117	1.6
355.19086	1.4
384.87839	1.2
411.23804	4.0
430.23380	1.6
431.24106	1.4
433.25546	1.7
443.19080	1.3
447.23376	4.3
447.27789	4.0
448.24661	3.6
453.28760	1.3
461.28949	1.5
465.24573	29.3
467.18912	3.1
469.20560	2.9
479.29947	2.1
495.87390	1.3
497.27579	3.5
662.36298	2.0
692.40747	1.5
712.30872	9.3
713.33398	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01873	5.7
55.05508	11.6
57.03440	8.4
60.08160	1.7
65.03933	2.8
67.05505	40.8
69.03435	2.2
69.07071	7.6
71.04998	2.8
71.08612	1.2
71.10873	1.3
79.05492	40.8
81.03415	2.6
81.07056	28.8
83.05003	2.2
83.08616	5.2
85.02913	2.6
85.06563	2.0
86.09709	12.6
91.05475	20.5
91.12120	0.9
91.74628	1.0
93.07041	32.7
95.04971	3.8
95.08609	23.3
97.02908	6.5
97.06526	2.7
97.10196	2.0
99.00866	2.2
99.04472	8.6
99.08103	1.4
104.10769	1.2
105.04522	1.1
105.07027	8.4
107.04965	11.2
107.08592	46.6
108.45493	0.9
109.06525	2.1
109.10145	11.3
111.04443	3.7
111.08067	1.1
115.05453	3.2
117.07019	29.8
119.08560	8.3
121.06494	10.5
121.10142	13.7
123.11710	2.2
125.00005	7.3
125.09612	4.7
129.07005	1.1
131.08565	6.2
133.10118	5.3
135.08054	54.2
135.11708	6.7
137.09665	2.0
145.06477	6.2
145.10112	3.9
147.11703	3.1
149.09656	1.2
149.13275	3.4
153.09071	6.6
157.10095	1.2
159.11729	3.2
161.13274	2.4
163.07539	47.8
163.14789	1.8
170.82542	0.9
172.94173	1.1
173.13214	2.7
181.08589	12.4
184.07338	37.2
187.14758	1.5
199.09650	79.9
200.10008	1.9
243.21103	4.2
255.12276	100.0
256.12595	2.3
261.22159	15.9
262.22638	1.1
317.24768	2.2
335.25800	71.5
336.26035	2.7
441.30023	1.8
515.33673	59.1
516.34009	2.6
533.35101	1.1
621.84406	1.1
711.29901	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	712.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01878	8.0
55.05511	25.1
55.42697	1.0
57.03178	1.6
57.03438	16.4
57.07069	3.9
59.05014	2.5
61.02930	9.2
65.03937	2.5
67.05506	48.9
69.03448	2.9
69.07065	11.4
71.01364	2.2
71.04990	6.5
71.08612	1.3
73.02911	2.2
77.03963	1.3
79.05496	56.4
81.03415	9.7
81.07059	53.2
83.01337	7.6
83.04977	11.0
83.08621	13.4
85.02908	9.2
85.06561	4.2
91.03958	3.4
91.05482	30.6
93.07045	65.1
95.04961	12.9
95.08603	32.9
97.02900	5.3
97.06538	8.5
97.10187	4.6
99.04505	1.6
99.08096	2.6
105.04541	3.1
105.07041	19.8
107.04987	7.6
107.08598	29.2
109.06542	6.9
109.07192	1.2
109.10161	13.6
111.04436	1.9
111.08080	3.4
113.09729	1.0
117.07014	11.0
119.08573	19.0
121.06460	2.6
121.10145	31.6
123.08102	7.9
123.11707	4.6
125.06037	1.3
125.09644	5.3
128.06215	1.1
129.07010	2.5
130.07755	1.0
131.08556	16.0
133.09142	1.7
133.10132	13.6
135.08052	3.8
135.11694	28.7
137.09605	2.7
137.13301	2.0
137.77969	1.1
139.11203	1.1
143.08533	1.8
145.10124	22.7
147.08118	1.7
147.11685	7.4
149.09610	2.1
149.13275	9.6
151.11166	1.6
153.12782	2.6
155.08588	1.5
157.10187	1.9
159.11687	12.6
161.13293	2.7
163.11191	22.8
163.14912	1.2
171.11717	2.6
173.09666	2.3
173.13260	7.3
175.11140	1.0
175.14845	1.3
177.12776	1.8
181.12265	3.8
184.07353	2.0
187.14862	2.9
189.11166	3.3
191.10637	2.1
196.31789	1.0
205.19460	2.4
209.11710	6.7
211.13312	1.3
215.17955	21.9
215.91774	1.1
227.12764	9.1
231.17226	2.0
233.18999	24.8
269.17404	1.1
271.20587	3.6
275.19925	1.7
283.15399	100.0
284.15811	3.2
289.21658	3.2
305.20999	1.6
307.22681	98.0
308.22955	2.4
405.27905	1.7
423.28964	2.2
441.30292	1.2
497.32214	3.2
511.41519	1.3
515.33673	69.7
516.33844	5.0
525.68744	1.1
533.34491	2.5
611.37219	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	712.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03925	1.8
55.01868	2.3
55.05517	11.5
57.03446	8.8
57.07050	1.7
58.63428	0.4
61.02906	1.4
65.03915	1.2
67.05511	33.2
68.05833	0.6
69.03421	0.8
69.07078	8.5
71.04971	2.2
73.02902	0.8
73.32447	0.5
77.03912	1.0
79.05501	38.7
80.05829	0.8
81.03398	1.6
81.07063	30.4
83.04995	2.6
83.08192	0.7
83.08624	8.2
85.02884	1.5
85.06511	1.4
91.05490	14.5
93.07055	44.4
94.07383	1.0
95.04441	0.6
95.04984	8.5
95.08615	36.2
97.02903	3.1
97.06543	4.2
97.10140	1.6
99.04469	2.4
99.08060	1.5
103.05480	0.7
105.04502	2.1
105.07044	11.1
107.04981	5.0
107.08604	22.4
109.06503	2.0
109.09528	0.7
109.10168	8.2
111.04409	0.9
111.08038	1.3
113.09621	0.9
117.07040	6.6
119.08591	11.1
121.06499	3.4
121.10155	18.3
123.08065	1.1
123.11739	2.8
125.05972	1.9
125.09576	0.6
130.07751	1.1
131.08591	4.8
133.10132	5.4
133.66974	0.5
135.08067	1.3
135.11705	38.6
136.12019	0.6
137.09619	0.9
137.13332	0.7
139.11172	0.6
143.08565	0.7
145.10139	21.7
146.10507	0.5
147.11745	2.8
149.09631	1.2
149.13312	3.5
153.12743	0.6
159.11659	2.8
161.13200	1.0
163.11195	34.7
164.11557	0.9
173.09567	0.6
173.13248	2.0
181.12253	6.0
187.14903	0.6
205.19504	1.0
209.11763	0.8
215.17993	8.1
224.52777	0.5
227.12798	44.4
228.13142	0.8
233.19037	9.3
283.15421	51.6
284.15845	1.9
289.21588	1.0
307.22696	100.0
308.22998	3.8
354.96182	0.5
358.26508	0.6
388.59366	0.5
388.94803	0.5
515.33716	71.2
516.34143	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	712.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21415	0.5
53.03923	0.9
55.01854	1.1
55.05509	12.5
56.22765	0.5
57.03437	13.5
57.03702	0.5
57.07043	2.3
59.24406	0.6
61.02891	2.5
65.03909	1.9
67.05503	49.1
68.05846	0.6
69.03401	1.3
69.07068	14.2
71.01317	2.5
71.04991	3.8
73.02863	0.9
77.03893	0.7
77.89148	0.6
79.05492	39.1
81.03416	3.9
81.07057	33.7
83.04983	6.5
83.08616	4.9
85.02871	2.3
85.06528	2.8
90.35060	0.5
90.86607	0.6
91.03919	0.8
91.04962	1.1
91.05482	16.1
91.06043	1.0
93.07045	50.1
95.04979	4.8
95.08604	23.0
97.02881	1.3
97.06527	8.8
97.10166	6.9
99.04382	0.9
99.08068	2.4
105.04476	2.3
105.07024	7.2
107.04976	1.4
107.08596	31.9
107.72063	0.6
109.06512	1.2
109.09428	0.7
109.10158	10.5
111.08046	1.4
117.07009	5.3
119.07867	0.7
119.08585	8.0
121.06491	1.1
121.10152	13.8
123.08034	1.3
123.11686	2.6
125.09592	1.9
129.06956	0.8
131.08578	4.9
133.10135	6.9
134.10480	0.6
135.08040	0.6
135.11691	40.6
136.12074	0.8
137.05997	0.5
137.09596	1.8
137.13237	1.3
139.11125	0.8
143.08521	1.2
145.10126	10.7
147.11662	3.8
149.13234	3.8
151.11224	1.4
153.12688	1.9
159.11673	2.4
161.13223	2.5
163.11145	5.4
163.14807	2.2
173.13205	2.7
175.14763	1.2
177.16307	0.8
181.12247	10.8
187.14827	1.2
199.13316	1.8
227.12929	0.6
233.22537	0.7
239.16377	0.7
243.21080	3.9
253.14320	2.9
255.15909	100.0
256.16220	2.5
257.17548	0.6
261.22134	10.0
265.80182	0.6
269.17517	1.1
286.20255	0.6
296.21106	0.6
317.24741	2.2
321.24234	2.7
335.25797	44.4
336.26205	2.1
358.57098	0.7
414.85129	0.5
423.32574	2.3
441.33493	2.0
459.34451	0.6
494.64713	0.6
497.36130	1.2
515.37323	78.5
516.37750	4.6
533.38440	3.6
536.96375	0.7
692.93506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.96563	1.0
57.03426	2.0
61.02913	1.4
61.08554	0.6
62.97348	0.6
67.05505	5.5
69.03410	2.0
69.07079	0.8
71.04985	1.6
73.02927	1.1
79.05479	2.4
81.03421	4.8
81.07053	3.7
82.03773	0.7
83.04967	1.4
83.08602	1.0
84.29716	0.7
85.02892	2.8
91.03953	1.6
91.05486	3.4
93.07041	2.8
94.07392	1.0
95.04958	2.7
95.08614	3.1
96.08961	0.8
97.02886	2.0
97.06503	0.6
97.10177	0.7
98.22684	1.3
98.97569	1.5
101.02361	0.7
105.07012	2.0
107.04948	1.3
107.08588	1.6
109.10152	1.6
110.86127	0.6
111.08063	1.3
112.99140	1.5
117.06978	0.7
119.08575	2.2
121.06506	1.0
121.10116	1.3
123.08066	0.9
129.06987	1.3
131.00151	1.8
131.08556	1.6
133.10149	1.3
135.11659	0.7
147.11722	1.1
149.01180	1.2
149.09528	0.7
157.10191	0.9
169.06879	0.6
184.07318	1.9
185.04787	0.9
193.12199	1.9
196.18994	0.7
200.50964	0.6
203.05801	0.9
217.14041	0.8
235.15080	1.0
239.09387	0.6
249.08015	1.0
251.09517	0.8
251.12465	0.6
253.14282	0.7
267.09036	14.1
267.15607	1.4
268.09467	0.8
268.16110	0.8
269.10538	1.5
281.10693	0.9
283.08420	0.9
285.10101	10.0
285.16943	1.0
286.10147	0.7
290.10516	1.2
293.05380	0.7
301.09299	1.1
309.09937	1.9
315.28564	0.7
323.11691	0.9
433.25729	1.8
434.26016	3.5
447.27176	1.5
448.27606	1.3
453.22842	2.1
462.28619	0.8
467.15527	0.9
469.20334	2.1
479.29688	0.9
485.16916	10.4
485.24231	1.4
497.31128	0.7
501.16339	0.9
641.30927	1.0
667.33209	1.5
677.27875	2.3
695.32611	1.4
713.31140	100.0
714.31799	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	713.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.2
59.69925	0.2
61.02934	0.4
65.26476	0.2
67.05505	1.0
69.32303	1.2
71.04996	0.5
71.18561	0.2
73.02934	0.2
79.05514	0.5
81.03429	0.5
81.07058	0.4
85.02887	0.4
91.05469	0.5
95.08641	0.5
97.02908	0.4
98.22623	0.3
105.06999	0.3
107.08632	0.3
119.08585	0.2
120.80867	0.2
131.08565	0.3
135.11697	0.4
149.91846	0.2
184.07317	0.4
219.24400	0.3
267.09033	2.0
285.10068	1.7
323.11835	0.3
447.27341	0.4
448.28253	0.5
485.17093	1.7
677.28204	0.4
695.30750	0.3
713.31451	100.0
714.31860	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	713.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.9
67.05509	1.5
69.49009	3.4
79.05466	1.0
81.07053	1.4
85.02929	0.9
93.07047	1.1
95.08576	1.1
98.22742	1.5
100.11791	0.9
107.08517	0.8
109.04633	0.8
163.96326	0.9
263.08990	0.8
317.06351	1.9
331.07687	0.9
387.13977	1.4
389.08438	1.2
401.15701	3.3
405.24039	1.6
413.76358	0.9
429.15265	2.3
441.18762	2.7
451.24353	1.1
479.23923	2.2
485.23999	0.9
487.19470	0.9
500.19897	3.1
501.17010	3.8
515.18805	1.8
557.23499	3.6
569.27332	1.9
571.24005	0.9
583.28564	3.7
584.29089	2.4
612.29108	28.6
613.29163	1.8
640.32117	1.3
641.29388	100.0
642.29694	6.9
644.27325	3.4
713.31110	61.2
714.31390	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	713.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53790	1.0
67.05498	1.6
68.61548	1.0
79.05486	1.2
80.59611	1.0
81.07044	2.4
87.40635	1.0
91.05466	1.1
93.07028	1.8
95.08591	1.9
106.86095	1.1
117.07001	0.9
158.21428	1.2
248.51137	1.2
294.70273	1.3
317.06180	1.2
355.11389	1.5
379.18774	1.7
387.13693	1.3
401.15579	3.3
429.15256	1.9
441.18649	1.7
460.16595	1.2
469.18231	1.4
479.23837	1.8
500.19998	2.9
501.17206	4.2
513.21051	1.8
557.23553	5.4
568.98962	1.3
569.27209	2.3
576.71558	1.1
583.28467	2.7
612.20007	1.5
612.29010	23.3
613.29242	1.5
641.29333	100.0
642.29089	4.7
644.27545	3.1
667.31549	1.4
713.31342	58.5
714.31140	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	713.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
53.69151	1.0
55.05516	2.1
55.70705	0.9
57.03451	1.9
61.02936	2.6
67.05523	5.4
69.03424	2.0
71.04988	3.2
73.02915	3.3
79.05500	3.2
80.40018	1.0
81.03413	2.9
81.07074	6.0
83.04990	1.9
83.08643	2.4
85.02919	4.0
86.09720	1.2
91.03947	2.0
91.04914	1.1
91.05478	2.2
93.07048	4.2
95.04992	1.9
95.08644	1.9
97.02894	3.4
97.06536	1.2
101.02390	1.5
105.07027	3.1
107.08603	2.2
109.10129	1.5
111.08051	1.1
119.08595	1.7
121.10164	2.8
121.29830	1.0
123.11759	1.3
131.08588	1.8
133.10126	3.4
149.13242	1.2
184.07356	1.7
214.74745	1.1
234.44206	1.0
235.12961	1.4
243.08569	2.4
283.14981	1.4
316.03656	1.0
317.06314	1.3
389.08240	1.6
401.15671	2.3
432.31644	1.2
453.20850	5.4
469.20230	4.9
485.17343	1.5
485.23676	2.3
500.19986	3.0
501.23190	6.1
528.19427	2.5
548.58069	1.3
584.29242	2.6
611.27679	3.0
612.28632	4.8
641.29492	4.3
651.31891	1.4
653.28900	1.6
681.33685	2.6
695.30273	2.0
712.35504	2.0
713.32471	100.0
714.31598	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	713.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80867	0.3
55.01875	1.0
55.05509	1.5
57.03447	2.5
57.07075	0.5
61.02927	3.9
61.79886	0.2
67.05516	2.5
69.03434	2.4
69.07075	1.1
71.01346	0.3
71.04990	0.7
73.02927	2.7
79.05505	2.9
81.03423	3.5
81.07059	2.5
83.01102	0.5
83.04970	1.0
83.08625	0.9
84.01875	0.5
85.02915	4.7
85.06565	0.4
86.03261	0.2
87.04465	0.4
91.03967	3.4
91.05490	2.0
93.07072	1.4
95.01116	0.5
95.04977	1.6
95.08601	1.3
96.01890	0.6
97.02903	4.3
97.06555	0.7
97.10178	0.6
98.23509	0.5
99.04456	1.1
101.02381	1.4
103.03973	0.5
104.49783	0.2
105.07046	1.2
107.04940	0.4
107.08581	1.3
109.02886	0.9
109.06557	0.5
109.10173	0.4
111.08088	0.5
115.03956	0.7
117.05507	1.1
119.08624	0.9
121.10155	0.8
123.04218	0.8
125.09660	0.8
126.02058	0.2
127.03933	1.4
129.05455	2.0
129.07047	0.7
131.08627	0.5
133.10159	0.6
135.11716	0.4
137.05817	0.3
139.03685	0.4
143.07040	0.3
145.04976	0.7
145.10136	0.5
147.11707	0.8
149.09508	0.3
156.03883	0.3
157.04826	0.3
157.08823	0.3
157.10191	0.7
163.11124	0.3
165.12715	0.3
167.71378	0.3
171.06665	0.3
171.10135	0.4
173.11771	0.3
175.11214	0.4
181.04742	0.8
184.03520	0.5
184.07445	0.5
185.04216	6.1
189.09062	0.3
193.12257	1.3
199.05777	1.4
199.13326	0.7
201.03719	2.3
201.14859	0.2
203.05302	0.6
211.13277	0.5
221.11623	0.5
223.13095	0.3
227.05276	0.5
229.14384	0.3
241.06934	0.8
243.08379	3.9
251.12587	3.7
259.07971	0.8
260.53036	0.3
267.15961	0.4
271.58286	0.3
277.14209	0.8
285.17010	0.4
291.15720	1.8
301.08936	15.0
302.09348	0.3
307.15143	0.7
313.09048	0.5
315.10513	3.8
321.16891	0.4
327.10599	1.1
329.12064	0.9
341.12201	1.1
343.13718	0.8
349.16187	3.7
355.13715	0.8
357.15344	1.2
360.10614	0.4
363.17920	0.6
367.17319	1.1
369.15359	0.7
371.16843	1.1
373.11118	5.0
379.17310	0.4
383.16760	3.0
385.18332	7.9
387.12592	1.1
389.23615	0.3
395.16956	2.2
397.18436	0.4
401.14304	0.8
405.21899	0.3
407.20056	0.3
413.17746	0.4
415.15787	0.8
423.19986	0.6
424.77945	0.3
429.17535	1.6
433.25690	3.2
434.26050	1.9
439.19391	1.4
441.21021	0.9
443.18884	3.9
444.19711	0.4
451.27121	0.4
457.20758	1.0
464.96500	0.3
467.18851	1.0
469.20511	13.7
470.21185	0.6
471.22525	0.3
479.26334	0.7
483.22021	0.7
485.19711	4.0
486.20337	0.5
499.21298	3.5
500.22095	0.8
501.22446	0.3
511.21680	1.1
525.22815	0.3
527.28333	0.9
528.21759	3.9
528.28925	0.3
541.22589	8.9
542.22791	0.3
555.23962	2.3
569.25348	1.9
583.31104	1.4
584.30359	0.4
595.30847	0.5
597.27576	0.4
611.30383	4.7
612.31201	3.5
625.31873	0.6
641.31226	1.2
651.33081	0.7
653.31409	1.1
667.33478	1.9
667.43152	0.3
668.33264	0.5
695.32361	2.2
696.33044	1.0
713.33289	100.0
714.33630	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	713.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01872	0.9
55.05507	1.5
57.03428	2.6
61.02921	3.7
67.05501	5.0
69.03423	2.5
69.07061	1.1
69.13704	0.5
69.31264	0.8
69.31669	1.8
71.05000	2.3
73.02917	2.8
79.05489	3.9
81.03422	7.1
81.07056	4.0
83.04997	0.8
83.08623	2.1
85.02903	6.3
91.03950	2.3
91.05493	3.4
92.05795	0.5
93.07053	3.8
94.07394	0.7
95.04992	2.5
95.08604	6.0
96.08952	1.6
97.02895	4.3
97.06552	1.0
97.07191	0.5
97.10136	1.1
98.23434	1.1
99.04455	1.2
101.02406	1.1
105.07040	2.2
107.04945	1.0
107.08606	1.7
109.02879	0.7
109.06521	1.4
109.10171	1.4
111.04516	0.5
111.08069	0.7
115.03906	0.6
119.08608	2.2
121.06556	0.9
121.10150	1.6
122.10485	0.8
123.08084	1.1
125.09621	1.0
127.03927	1.2
129.05511	1.1
129.07028	0.8
131.06566	0.6
131.08591	1.6
133.10165	1.2
135.11691	1.4
145.04980	0.8
145.10112	1.2
147.08012	0.6
147.11688	1.0
149.09654	1.3
153.09087	0.7
157.10175	0.8
163.11208	0.8
175.11226	1.3
184.03497	0.5
185.04204	2.6
189.09180	0.7
193.12251	1.2
194.12653	0.6
201.03760	0.9
211.13283	0.7
227.05226	0.7
232.33868	0.4
242.06325	0.5
243.08405	2.4
251.12592	2.2
256.98761	0.6
267.09116	0.9
267.16031	1.3
268.16327	1.1
277.14127	0.9
301.08920	8.7
307.15268	0.8
315.10516	1.3
316.20023	1.1
349.16309	1.8
369.15164	0.7
371.16882	0.9
373.10965	2.5
383.16861	1.2
385.18295	3.8
387.12607	0.8
395.16791	1.4
408.24698	1.4
413.17853	1.4
415.15662	0.6
416.25336	1.0
425.17911	0.8
429.17319	1.0
433.25784	6.2
434.26224	13.0
439.19370	1.1
443.18750	1.8
448.27835	0.7
451.19745	1.0
466.28912	0.7
467.18665	1.0
469.20493	10.8
470.21011	0.6
485.19461	1.9
498.31479	0.6
499.21576	1.8
528.21741	3.9
541.22571	3.6
555.24329	0.7
569.25812	1.3
583.30768	2.3
611.30585	3.0
611.39014	0.5
612.31799	2.2
641.31311	7.3
642.31238	0.8
651.33423	0.7
655.32782	1.0
667.32959	4.0
669.32123	0.5
695.32306	3.5
713.33020	100.0
714.33136	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98874	0.4
55.05527	0.5
59.14879	0.4
67.05518	0.7
71.08651	0.5
78.52851	0.4
81.07059	0.9
91.05475	0.6
93.07069	0.5
98.22594	0.9
108.18777	0.5
109.15880	0.4
109.25405	0.4
110.69010	0.4
110.79391	0.3
142.72252	0.4
158.59274	0.4
176.80460	0.4
255.58633	0.4
291.49591	0.5
387.14334	0.5
404.56427	0.4
469.18042	0.4
557.23541	0.6
612.29211	3.1
641.29388	8.3
642.29877	0.7
713.35059	100.0
714.35333	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	713.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91655	0.4
59.85232	0.3
67.05525	0.5
81.07030	0.4
89.29158	0.3
91.05526	0.4
92.40538	0.3
98.22697	1.2
98.23438	1.2
109.39735	0.3
120.89304	0.3
178.67006	0.3
385.15851	0.3
469.18500	0.7
612.29156	1.8
641.29462	6.2
642.29645	0.8
713.35132	100.0
714.22815	0.6
714.35376	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	713.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56696	0.4
53.03943	0.4
55.01900	0.5
55.05517	0.7
55.19537	0.4
57.03447	1.2
59.05016	0.4
61.02926	3.4
65.63843	0.4
67.05513	3.2
69.03416	1.9
69.07065	0.9
71.04999	1.6
73.02923	3.5
79.05477	2.7
79.61989	0.3
81.03409	2.9
81.07048	4.2
83.05018	0.4
83.08633	1.3
85.02905	4.4
91.03954	2.3
91.05469	2.6
93.07050	3.4
95.05006	1.0
95.08630	1.4
97.02908	3.6
97.06549	0.9
99.04462	0.5
99.08104	0.4
101.02352	2.0
105.07034	1.0
107.08585	1.9
109.02888	0.6
109.06483	0.6
111.08104	0.7
119.08588	0.9
121.10124	1.9
123.11783	0.4
127.03947	1.2
129.06998	0.9
131.08604	1.1
133.10161	1.3
135.11646	0.5
147.11629	0.7
149.09583	1.8
149.13306	1.6
157.10103	0.4
159.11761	0.7
175.11189	0.6
185.04308	0.5
193.12314	1.4
235.13109	1.2
243.02715	0.4
243.08438	2.4
267.15985	0.8
269.17407	0.5
283.15112	3.5
291.15921	0.5
339.17908	1.1
453.20993	9.7
469.20428	0.5
501.22977	10.1
502.23468	0.6
551.31549	0.6
713.37158	100.0
714.37708	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64367	0.2
55.01884	0.4
55.05517	0.8
57.03442	1.2
59.34546	0.2
61.02928	4.1
67.05502	2.6
69.03427	1.7
69.07069	0.7
69.81397	0.9
71.01358	0.4
71.04985	2.8
73.02921	2.5
78.76299	0.3
79.05519	1.6
81.03416	2.3
81.07057	3.6
83.05009	0.4
83.08634	0.8
85.02907	3.9
85.06576	0.4
91.03965	2.0
91.05488	2.7
93.07051	2.0
95.04977	1.0
95.08606	0.7
97.02891	2.9
97.06515	0.4
98.23384	0.4
99.04481	0.5
101.02383	1.6
103.03957	0.5
105.07056	1.1
107.08615	1.1
109.02924	0.7
109.06583	0.3
109.10201	0.7
111.04474	0.4
111.08107	0.6
115.03939	0.3
117.07038	0.4
119.08643	0.4
121.10164	0.9
123.11740	0.8
127.03932	0.8
129.07007	0.4
131.08617	0.9
133.10135	1.8
133.11009	0.3
135.11736	0.3
147.11719	0.5
149.13329	0.5
151.11264	1.0
151.67545	0.3
157.10104	0.4
159.11778	0.6
175.11166	0.3
183.13864	0.5
185.04283	0.4
187.13342	0.4
193.12325	0.6
195.89224	0.2
196.88135	0.3
203.05286	0.5
211.13412	0.3
232.46585	0.3
243.08420	1.5
251.12640	1.0
257.17593	1.0
267.15839	1.1
285.17044	0.4
301.20050	0.3
453.21100	1.0
469.20529	5.6
485.23526	6.6
485.29791	0.4
486.24551	0.4
501.23288	0.6
551.32153	0.5
641.31641	0.6
713.37183	100.0
714.37433	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	714.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28181	1.1
53.03944	3.5
55.01887	3.7
55.05517	15.7
57.03441	19.6
57.07080	2.1
61.02937	6.0
65.03950	4.2
67.05511	83.1
68.05824	1.1
69.03436	4.7
69.07076	16.3
71.04998	4.2
71.08659	1.6
73.02931	1.3
77.03957	2.0
79.05502	47.9
81.03425	59.4
81.07063	61.6
83.04975	6.7
83.08627	7.1
85.02914	19.2
85.06554	2.5
86.09714	2.0
91.05488	100.0
92.90386	1.2
93.07055	66.1
95.04975	10.6
95.08614	59.1
97.02921	6.5
97.06553	4.8
97.10167	2.6
99.08106	2.3
102.09201	1.3
105.04511	2.4
105.07039	21.3
107.04991	2.0
107.08606	23.2
108.91915	1.1
109.06501	2.3
109.10163	33.3
111.08083	2.8
113.96896	1.1
117.07017	10.5
119.08594	93.8
120.08965	1.4
121.06549	6.2
121.10158	24.5
123.08092	4.9
123.11700	6.7
125.09631	1.2
126.23664	1.1
129.07014	4.2
131.08582	12.1
133.10143	12.0
135.08073	1.8
135.11693	13.3
137.09628	44.8
137.13249	2.2
139.11203	1.5
143.08607	1.6
145.10139	7.2
147.08075	9.5
147.11699	9.6
149.09712	1.6
149.13252	7.1
151.11174	2.0
153.09047	1.1
155.08586	1.2
157.10168	2.9
159.11717	5.3
161.13286	4.4
163.14838	2.8
165.09131	37.2
165.12823	1.7
173.13268	5.2
175.11259	3.2
175.14838	1.3
177.16435	1.1
183.10197	17.3
183.11681	1.8
184.07329	2.0
187.14845	3.9
189.07220	1.2
193.04948	1.8
193.12309	3.3
211.13356	4.4
215.18069	2.2
223.77695	1.1
233.19044	3.3
239.12775	17.1
241.19577	1.5
243.21107	7.1
257.13852	72.9
258.14212	1.8
261.22141	15.4
262.25287	1.6
267.15918	5.5
279.23282	1.7
285.16998	11.3
293.21274	2.9
307.22729	18.6
308.23117	1.5
312.32538	1.9
317.25046	1.4
327.22937	1.3
335.25824	85.6
336.26279	3.2
355.94684	1.2
407.29398	4.0
425.30539	3.4
429.12317	1.4
443.32312	1.4
499.34009	12.9
517.35297	76.7
518.35590	5.0
599.50360	9.3
714.41669	5.0
715.44098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.6
53.03943	3.6
55.01842	2.3
55.02074	0.6
55.05512	20.9
57.03439	16.5
57.07041	2.1
59.04977	0.7
61.02928	5.1
65.03945	2.8
67.05506	53.5
67.05853	2.0
69.03426	3.8
69.07067	11.3
71.01331	0.5
71.04997	5.7
73.02888	1.7
77.03897	1.9
79.05495	57.1
80.05827	0.8
81.03418	46.7
81.07057	50.0
82.07339	0.5
83.04543	0.9
83.04983	11.4
83.08623	20.5
85.02908	24.8
85.06544	3.2
91.03979	2.8
91.04595	0.5
91.05482	38.4
93.07047	53.9
95.04968	24.3
95.08604	30.1
97.02896	4.7
97.06536	5.2
97.10182	3.5
97.14191	0.5
99.04425	1.2
99.08101	3.2
105.04550	2.6
105.07032	27.5
107.04967	5.7
107.08592	20.6
109.06519	5.8
109.10165	13.2
110.13667	0.5
111.04399	1.9
111.08076	6.6
113.05975	2.5
113.09594	0.5
115.05451	1.1
117.06287	0.6
117.07025	6.5
117.39593	0.6
119.07762	1.1
119.08582	21.2
121.06469	1.2
121.10143	27.8
123.08080	2.8
123.11692	5.8
124.99913	0.5
125.09618	2.8
125.76060	0.6
127.03896	0.8
127.07484	0.8
128.06166	0.6
129.06995	9.0
130.07771	0.7
131.08572	16.4
133.06479	2.3
133.10126	17.0
135.07983	1.0
135.11687	14.0
137.09654	2.7
137.13171	1.0
139.62544	0.5
142.07730	2.1
143.08562	1.2
145.10120	7.6
147.08035	2.5
147.10603	0.9
147.11691	15.7
147.78671	0.6
149.09610	5.4
149.13232	5.9
151.11159	1.3
157.10115	12.6
159.11668	4.8
161.13159	1.5
163.11122	1.7
165.12729	2.3
169.43791	0.7
171.11665	1.4
173.13263	4.3
175.11197	10.4
175.14816	1.0
184.07327	1.5
185.13272	0.7
187.14757	1.3
189.11140	0.8
193.12245	26.9
194.12593	1.1
195.13792	0.6
205.19452	1.2
211.13289	44.8
212.13608	0.9
215.17963	10.7
227.12849	1.1
233.18968	9.7
249.14874	0.8
267.15878	13.3
269.17480	0.9
275.20169	0.7
285.16968	57.5
286.17288	1.6
307.22672	82.8
308.22971	3.3
374.20108	0.6
407.29462	1.0
425.30392	1.1
434.96521	0.6
443.31329	0.8
463.30627	0.9
499.34164	11.0
500.34521	1.1
517.35260	100.0
518.35474	8.0
599.50604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.8
51.02377	0.7
53.03946	2.9
55.01874	3.4
55.05512	14.4
57.03182	0.8
57.03437	17.7
57.07076	3.0
61.02928	7.2
65.03945	3.1
67.05505	73.9
69.03429	3.4
69.07069	15.8
71.01333	0.7
71.04990	4.8
71.08620	0.9
73.02914	1.7
77.03945	1.1
79.05495	42.1
81.03417	53.9
81.07057	54.7
82.07402	0.7
83.04971	7.1
83.08612	5.1
85.02903	16.5
85.03416	1.1
85.06542	2.0
91.03951	1.9
91.05480	90.4
92.05816	1.0
93.07047	61.9
95.04973	9.9
95.08607	54.2
96.08904	0.9
97.02901	4.9
97.06557	4.8
97.10181	2.2
98.22639	2.2
98.98466	0.7
99.04433	0.9
99.08095	2.0
101.02361	0.9
103.03960	0.7
103.05453	1.3
105.04533	2.2
105.07032	20.5
107.04971	3.1
107.08599	22.1
109.06524	3.6
109.10160	32.7
111.08096	3.4
117.07017	8.8
119.08582	100.0
120.08925	1.5
121.06506	7.8
121.10144	21.8
123.08079	3.9
123.11684	5.9
123.44649	0.7
125.09628	1.6
127.03922	0.7
129.06998	4.9
131.08556	9.3
133.10126	10.0
135.08034	3.2
135.11691	11.1
137.09619	44.2
137.13240	1.1
139.07487	0.6
139.11182	1.0
143.06995	0.9
143.08583	1.1
145.10133	6.3
147.08049	9.9
147.11693	7.1
149.02361	1.4
149.09602	1.7
149.13245	6.6
151.11179	1.3
153.09113	1.2
157.10114	1.5
159.11659	6.0
161.13243	4.8
163.11191	1.5
163.14828	3.2
165.09117	39.7
165.12732	1.1
166.09419	0.9
167.14247	0.7
171.11720	1.7
173.13232	4.8
175.11208	1.8
175.14784	2.1
177.12622	0.7
177.16408	0.8
183.08524	1.1
183.10162	20.7
184.07343	1.9
185.13409	0.8
185.18134	0.7
187.14890	2.1
191.14285	0.8
191.98917	0.8
193.12283	2.1
199.09735	0.8
201.16513	0.7
211.13165	1.5
215.17960	2.4
221.11563	0.8
233.19044	1.7
239.12776	17.3
243.21092	5.8
253.14484	1.3
255.12291	1.2
257.13834	80.7
258.14163	2.0
259.20914	0.9
261.22128	13.6
262.22440	1.1
267.15869	4.0
285.17047	5.8
293.21283	1.5
307.22641	10.3
312.32538	1.4
317.24698	4.8
335.25790	88.6
336.26157	2.6
367.24954	1.0
389.28329	1.3
401.26376	0.8
407.29504	4.5
425.30453	3.0
443.31738	0.9
481.32938	0.9
499.27341	1.3
499.34079	14.6
517.35248	76.0
518.35443	2.8
599.50311	4.6
714.41748	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	714.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91885	2.1
53.03942	4.7
55.01870	3.3
55.05515	29.5
57.03180	3.2
57.03444	42.7
57.07081	5.7
58.25505	1.9
61.02933	4.0
65.03969	3.6
67.05511	67.9
67.05869	3.2
69.03407	2.9
69.07080	19.6
71.01363	6.8
71.04999	7.6
79.05499	75.8
81.03435	6.6
81.07065	74.2
83.04997	11.1
83.08626	25.5
85.02901	3.8
85.06546	4.2
91.05486	81.0
93.07055	100.0
95.04943	10.6
95.08612	45.5
97.06544	6.8
97.10177	4.0
99.08103	6.5
105.04564	2.6
105.07040	72.4
107.04987	4.0
107.08608	40.6
109.06538	2.4
109.10184	12.8
111.08062	4.0
117.07039	21.5
119.08594	61.9
121.06518	3.7
121.10163	54.2
123.08109	5.7
123.11717	4.9
129.06990	18.1
131.08586	31.5
133.10144	71.1
135.08047	2.8
135.11699	24.5
137.09647	6.0
139.11194	12.5
142.07747	2.9
143.08566	16.6
145.10139	26.6
147.08055	3.3
147.11700	60.7
149.09663	8.7
149.13281	17.7
155.08545	2.7
157.10152	18.8
159.11740	21.5
161.13266	28.3
163.11200	4.3
167.10709	8.7
169.10097	2.7
171.11710	28.2
173.13254	9.9
175.11092	3.8
175.14839	12.7
181.12288	7.2
184.07411	2.5
184.89178	2.2
185.13289	8.2
187.14845	4.7
189.16460	6.5
195.13925	3.9
199.14830	3.3
203.18010	8.6
213.14476	3.8
213.16385	40.4
215.18036	4.7
231.17459	76.1
231.21083	4.7
239.12808	6.7
241.14377	72.2
241.16927	3.9
241.19507	18.6
259.20596	52.7
259.23187	4.1
267.15906	4.2
269.17474	44.3
305.21155	29.4
315.23196	4.1
327.23105	2.7
333.24274	27.6
407.29471	10.5
425.30576	4.5
481.33124	4.6
489.35834	3.1
499.34235	74.4
500.34375	3.5
517.35236	23.6
599.50403	18.6
624.36792	2.2
643.37555	2.7
715.36456	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	714.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01880	3.0
55.05512	16.5
57.03439	12.6
57.07077	3.2
60.08214	1.3
61.02932	2.5
62.75006	1.8
67.05505	49.3
67.68810	1.2
68.51411	1.2
69.07070	17.0
71.05002	2.9
73.00699	1.2
77.03943	1.3
79.05493	26.3
81.03413	4.3
81.07054	50.3
83.04993	4.4
83.08624	11.5
85.02894	2.9
91.05479	20.9
93.07049	31.4
95.04988	7.3
95.08606	39.3
97.02931	2.7
97.06522	4.2
97.10181	3.5
99.04467	2.9
99.08101	2.9
105.04555	2.4
105.07029	12.9
107.04984	4.0
107.08592	22.8
109.10143	13.8
111.08123	2.6
117.07008	6.4
119.08592	15.6
121.10144	12.4
123.11708	5.9
124.99954	1.3
125.05969	1.8
125.09583	1.7
131.08583	3.2
133.10103	9.7
135.08072	2.0
135.11699	26.7
137.09619	4.0
137.13254	2.9
145.10114	15.2
147.11710	5.0
149.13310	2.6
159.11638	2.6
161.13289	2.4
163.11174	33.5
175.14853	1.5
181.12251	5.4
184.07346	5.0
193.12442	2.1
215.17790	1.7
217.19638	1.6
227.12781	37.4
233.18979	2.1
235.20616	3.9
239.12782	4.3
253.14328	1.6
257.13898	6.3
261.22147	2.4
267.15891	2.0
283.15405	51.3
285.16895	6.2
307.22632	7.0
309.24240	100.0
310.24652	3.0
335.25632	9.3
419.44476	1.4
477.80338	1.5
499.34048	2.6
517.35242	91.1
518.36011	4.1
599.50317	2.9
714.41919	1.9
715.43213	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	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03921	0.4
55.05299	0.5
55.05516	4.7
56.05046	3.6
57.07080	2.5
58.06623	0.5
60.04537	2.3
61.68750	0.5
65.03942	0.5
67.04243	0.7
67.05160	0.7
67.05502	10.1
68.05012	0.5
69.03439	1.1
69.07063	6.4
69.67837	1.2
70.06582	1.6
71.08632	1.2
74.98537	0.4
79.05491	7.9
80.05006	2.6
81.05780	1.1
81.07062	8.3
82.06573	5.4
83.08616	3.2
84.39026	0.5
85.02905	1.4
85.10171	0.5
86.06054	0.5
86.85443	0.5
91.05478	6.7
93.05804	0.5
93.07045	7.0
94.06567	14.3
95.04951	1.3
95.06784	0.7
95.07346	7.8
95.08601	7.6
96.08138	4.7
97.02898	1.1
97.10164	2.2
105.04520	0.9
105.07025	5.0
107.08589	4.2
108.08160	2.1
109.10145	2.7
119.08587	4.2
121.10148	3.8
122.09673	1.6
123.11694	1.1
133.10138	2.8
135.10561	0.5
135.11682	2.5
136.11328	0.5
137.13278	0.6
145.05109	0.5
147.11690	1.7
149.13243	0.9
152.41362	0.4
159.76355	0.4
161.13217	0.5
163.14790	0.6
219.20996	0.7
233.22629	5.1
234.22440	0.5
245.22676	5.3
250.25328	7.3
254.24800	1.1
262.25296	100.0
263.23291	0.6
263.25818	4.0
264.26981	0.6
272.25839	6.7
280.26315	7.2
312.25381	0.7
314.26825	0.7
442.31870	0.9
476.77859	0.5
504.47662	7.9
505.47894	0.6
516.47754	44.5
517.47864	3.3
518.49408	7.0
519.49500	0.8
534.48804	28.6
535.49109	2.6
696.42957	0.8
696.53955	8.9
697.54150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05516	0.6
57.03445	1.6
58.01628	0.3
61.02928	3.6
62.61583	0.3
67.05514	1.7
69.03438	2.3
69.07076	0.7
70.53281	0.7
71.01369	0.5
71.04993	0.8
73.02915	3.0
79.05502	2.3
81.03426	5.0
81.07047	2.6
83.04985	0.9
83.08633	0.8
85.02907	5.5
91.03951	2.5
91.05481	2.6
93.07045	1.8
95.04968	2.2
95.08617	1.1
97.02892	3.4
97.06554	0.4
97.10204	0.3
99.04469	1.0
101.02385	1.7
103.03964	0.4
105.07020	2.0
107.04956	0.4
107.08626	1.0
109.02882	0.7
111.04475	0.4
111.08042	0.6
111.31287	0.3
119.08584	1.5
121.10136	2.4
127.03934	1.2
129.07018	1.1
131.08571	0.7
133.06529	0.3
133.10162	1.1
139.11226	0.9
146.29781	0.3
147.11696	1.0
149.09648	1.1
149.46211	0.3
157.10168	1.4
165.49959	0.3
167.10725	0.4
170.33171	0.3
175.11252	1.1
185.04189	0.3
185.11682	0.3
187.34894	0.3
193.12248	2.4
211.13341	1.0
217.24728	0.3
241.14427	0.3
243.08400	2.4
251.12666	1.4
252.16075	0.6
267.16101	0.7
269.13748	2.0
276.02789	0.3
285.17017	0.3
307.15247	0.5
325.16074	0.4
443.18939	4.4
443.24557	0.5
469.20523	10.7
470.21371	0.3
487.21469	3.6
541.22394	0.5
671.32678	2.1
697.33856	1.7
715.35071	100.0
716.35541	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	715.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05505	1.3
55.10436	0.4
57.03439	2.5
59.05003	0.8
61.02928	4.8
61.12087	0.5
67.05505	7.9
69.03433	2.8
69.07067	1.9
71.04998	1.5
72.60507	0.5
73.02908	4.0
79.05491	2.4
81.03408	2.6
81.07059	6.4
83.04990	1.3
83.08622	1.3
85.02902	5.0
91.03961	4.8
91.05485	1.8
93.07054	3.9
95.04976	1.3
95.08608	2.3
97.02893	5.4
97.06541	0.8
99.04478	1.0
101.02386	2.1
103.03936	0.8
105.07022	1.4
107.08607	1.8
109.02907	1.0
109.06502	0.6
109.10162	4.0
109.91093	0.6
111.08085	1.2
117.07007	0.7
119.08556	1.5
121.10168	1.2
123.11694	0.9
127.03934	1.7
131.08545	1.1
133.10162	2.5
135.11707	1.3
145.10046	0.6
147.11745	1.3
149.09612	0.9
149.13255	1.4
159.11818	0.5
163.11230	0.6
173.11781	1.1
179.28891	0.5
185.04234	1.5
193.12263	0.7
195.09949	0.9
195.13959	0.9
203.05278	0.9
225.14944	0.6
229.14540	0.8
235.13025	1.0
243.08379	2.7
251.12718	0.6
283.15289	1.3
301.09085	0.8
358.73871	0.5
413.17746	4.4
453.20941	9.1
455.18973	3.3
469.00729	0.6
469.20392	2.4
471.21262	0.7
501.23184	3.7
528.69446	0.6
625.31940	54.6
626.31970	3.9
643.32635	1.7
665.31219	2.1
669.33978	1.8
697.33734	4.1
714.37323	0.7
715.34467	100.0
716.34723	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	716.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87117	0.7
53.03952	2.4
55.01871	2.0
55.05518	18.1
57.03446	12.2
57.07074	2.8
61.02930	6.1
65.03950	1.5
67.05512	51.6
69.03428	4.3
69.06712	1.0
69.07078	16.6
71.05007	3.5
71.08635	1.6
73.02919	2.7
79.05503	24.8
81.03426	35.6
81.07063	54.9
82.07401	1.5
83.04996	9.5
83.08628	20.5
85.02915	18.7
85.06558	2.0
85.10194	0.8
86.09735	1.1
91.03944	2.6
91.05489	27.1
93.07052	19.5
95.04980	15.2
95.08613	28.7
95.09219	1.4
97.02905	4.9
97.06531	2.9
97.10188	5.3
99.04453	1.0
99.08093	4.2
105.07041	16.8
107.04957	3.7
107.08609	9.9
109.02905	0.7
109.06494	3.5
109.10174	8.9
111.04443	1.5
111.08097	6.7
113.06052	1.9
115.05457	0.9
117.07054	2.2
119.08592	16.5
119.09418	1.0
121.10157	12.0
123.08064	2.5
123.11711	7.6
125.00027	1.4
125.09634	3.1
127.03944	1.0
129.07008	4.5
131.08582	8.4
133.06500	1.8
133.10143	13.6
135.11693	4.4
137.09657	2.9
137.13316	1.8
142.07825	1.4
145.10136	2.0
147.08076	1.0
147.11710	12.3
149.09659	3.0
149.13243	1.6
151.14894	0.8
157.10139	7.2
161.13330	2.6
163.11232	1.2
163.14919	0.8
165.12791	2.4
175.11229	7.8
175.14804	1.0
184.07344	5.3
193.10513	1.3
193.12267	23.4
211.13303	33.6
212.13690	1.3
217.19551	5.6
235.20570	5.1
241.14342	0.8
259.15469	1.1
267.15961	12.2
285.16980	50.6
286.17480	0.9
307.22684	0.8
309.24261	74.7
310.24698	2.8
335.25928	1.6
427.32120	1.2
445.33466	0.7
461.32693	0.8
467.19202	1.8
475.34161	1.0
491.26019	3.8
501.35861	12.4
502.36765	1.4
519.36859	100.0
520.37323	5.5
601.51910	1.2
649.38647	0.7
716.42816	2.2
717.38104	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05510	1.4
57.03424	2.1
61.02936	3.9
67.05496	2.2
69.03426	2.1
71.04976	1.4
71.44331	0.8
73.02911	4.1
73.33270	0.6
75.57305	0.6
79.05476	1.9
81.03437	3.5
81.07043	1.5
83.04983	1.2
83.08615	1.1
85.02921	4.7
91.03952	2.6
91.05462	2.2
93.07027	2.6
95.04979	1.0
95.08597	1.7
97.02879	4.3
99.04453	1.1
99.08062	0.9
105.07024	1.0
107.08605	1.4
109.10136	1.3
119.08576	2.2
121.06499	0.8
121.10130	1.8
127.03942	2.0
129.05475	3.2
131.08572	1.2
133.10153	0.7
135.66891	0.7
137.09653	0.8
144.47331	0.7
147.11702	0.8
175.11243	1.0
185.04211	1.6
193.12338	1.3
229.92009	0.8
243.08334	1.4
255.12088	1.6
281.13651	1.2
283.15204	6.3
301.08948	4.1
315.10486	3.8
323.18289	2.0
339.17914	0.8
355.13684	1.3
357.15131	6.5
371.16388	0.9
385.18655	1.2
395.20425	1.7
399.16275	1.4
413.17630	2.1
415.59354	0.7
437.25034	4.2
441.17569	1.4
457.20276	1.1
469.20319	1.6
473.20074	4.7
483.25555	2.5
501.23801	9.8
539.28424	1.0
545.21777	1.6
555.27509	1.3
559.23322	1.2
573.25134	19.1
585.28687	3.7
613.28302	5.4
615.29602	5.2
629.31287	1.1
699.33124	1.5
700.32288	0.8
717.33130	100.0
718.33179	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	717.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44223	0.2
51.49231	0.2
53.03934	0.6
55.01872	0.4
55.05509	1.7
57.03438	2.3
57.88207	0.2
57.93338	0.2
61.02921	5.4
65.03948	0.3
67.05157	0.3
67.05506	5.5
67.05863	0.3
68.77560	0.2
69.03424	3.1
69.07063	1.1
71.01354	0.5
71.04997	0.8
71.99960	0.2
73.02917	3.8
79.05492	5.8
80.72262	0.2
81.03416	1.7
81.07055	4.3
83.01340	0.3
83.04953	0.5
83.08624	0.9
84.64534	0.2
85.02900	5.4
87.04459	0.5
89.19944	0.2
91.03951	3.1
91.05482	2.7
93.07040	6.1
95.04947	0.8
95.08597	3.6
97.02889	4.2
97.06539	0.5
97.10161	0.4
99.04436	1.3
101.02386	1.9
103.03922	0.4
105.04514	0.6
105.07030	2.0
107.04969	0.4
107.08582	2.5
109.02883	0.9
109.06516	0.4
109.10151	1.3
109.60769	0.2
111.04429	0.2
111.08038	0.2
115.03931	0.5
117.07023	1.0
119.08565	1.4
121.06528	0.3
121.10139	2.7
123.08072	0.4
123.11733	0.4
127.03924	1.6
129.06993	0.3
131.08553	0.8
133.07568	0.2
133.10143	0.8
135.08064	0.2
135.11705	2.0
141.76010	0.3
145.04994	0.3
145.10098	1.4
147.11682	0.5
149.09673	0.2
149.13254	0.4
159.11711	0.7
163.11180	2.2
171.11749	0.3
181.12286	0.3
184.07372	0.4
185.04312	0.5
203.05333	0.4
207.25462	0.2
215.17955	0.3
219.09981	0.3
227.12772	1.4
243.08405	2.2
249.10979	11.2
250.11441	0.3
275.20001	0.3
281.17505	0.3
283.28293	0.2
305.13593	1.0
307.22672	0.6
422.19852	0.2
467.18930	4.9
491.26151	8.2
492.26773	0.5
518.35559	0.3
555.33624	0.4
684.61029	0.2
702.82977	0.2
717.38025	100.0
718.38452	6.5
742.33551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05498	1.5
56.19227	0.5
57.03416	1.1
59.05000	0.6
61.02926	3.9
67.05508	5.2
69.03420	2.0
69.07076	1.0
71.04989	1.0
73.02912	3.3
79.05497	3.9
81.03426	1.2
81.07043	4.1
83.04970	0.7
83.08626	1.1
85.02904	3.9
91.03947	2.1
91.05475	2.4
93.07032	4.1
95.04984	0.8
95.08589	3.0
97.02909	3.6
99.04455	0.6
101.02348	1.3
105.07024	0.8
107.04955	0.7
107.08592	3.1
109.02856	0.7
109.10181	1.7
111.44875	0.6
117.07020	1.2
119.08546	0.8
121.10147	1.5
127.03926	1.1
131.08572	0.7
132.46024	0.5
133.10175	0.6
135.08037	2.7
135.11679	0.8
145.53261	0.6
163.07512	1.4
184.07301	1.4
185.04156	0.9
199.09630	2.4
221.07846	8.1
222.08182	0.7
243.08380	2.2
269.86090	0.6
277.10495	1.3
279.00076	0.5
314.56226	0.6
335.25824	0.9
361.43619	0.6
429.20645	0.7
439.15771	8.4
472.41757	0.6
519.29218	4.5
519.35944	0.9
520.37305	1.1
717.37909	100.0
718.38586	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	717.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01865	1.1
55.05496	1.6
57.03438	3.7
60.85036	0.7
61.02919	3.2
66.45772	0.6
67.05508	4.3
67.67136	0.7
69.03423	2.4
69.07070	3.3
70.05228	1.5
71.01360	0.9
73.02923	2.9
79.05498	5.4
81.03415	2.2
81.07066	4.3
83.04989	1.0
83.08604	2.1
85.02897	4.0
86.53383	0.7
91.03955	2.1
91.05500	3.8
91.05975	0.6
93.07046	6.0
95.08597	2.8
97.02885	3.6
98.22701	0.6
99.04493	0.9
101.02368	1.2
105.07065	2.9
107.04943	0.6
107.08607	2.2
109.02874	0.9
109.10127	1.3
117.07043	1.3
119.08572	1.4
120.66512	0.5
121.10151	4.2
127.03899	1.1
131.08543	2.0
133.10097	1.4
136.10205	0.6
139.11157	1.9
145.10194	0.8
147.11751	0.8
149.09639	1.3
171.11615	0.7
178.22552	0.7
183.11668	0.6
184.07414	1.1
207.10002	0.6
239.22495	0.6
243.08400	2.2
288.26630	0.6
315.19318	4.5
371.21936	0.8
377.47720	0.6
425.17859	12.5
453.21060	0.9
533.27283	4.7
699.26306	2.3
717.37756	100.0
718.26202	0.9
718.38324	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	717.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44928	0.3
53.03940	0.6
53.64381	0.3
55.05509	1.2
57.03447	1.5
57.07092	0.3
61.02930	3.9
67.05505	3.9
68.05822	0.3
69.03430	2.2
69.07066	1.0
71.01362	0.4
71.04980	0.4
73.02920	2.8
74.77636	0.3
79.05499	3.4
81.03417	1.1
81.07052	3.3
83.04977	0.6
83.08598	0.7
85.02905	3.7
85.06537	0.3
86.09717	0.7
87.84402	0.3
91.03960	2.0
91.05481	1.4
93.07047	3.6
95.04955	0.5
95.08608	2.4
97.02895	3.4
97.06551	0.6
97.10188	0.6
99.04467	0.7
101.02370	1.6
105.07037	1.1
107.08595	1.6
109.02917	0.7
109.10179	0.9
115.03951	0.4
119.08582	1.1
121.10161	1.4
125.00017	0.4
127.03923	1.0
133.10156	0.5
135.11687	3.0
141.34982	0.3
145.10139	0.7
149.13245	0.4
163.11139	0.4
179.29182	0.3
184.07327	2.3
185.04239	0.7
185.07692	0.4
203.05246	0.4
213.58221	0.3
221.11516	1.0
243.08446	1.2
284.15573	0.4
287.60901	0.4
287.64212	0.3
311.25974	0.4
335.25797	0.4
439.19397	7.1
519.29364	3.9
519.36536	0.5
520.29785	0.4
717.41779	100.0
718.42096	6.5
719.22894	0.3
727.49420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01875	6.9
55.05518	19.5
57.03440	18.4
57.07073	3.4
57.47265	2.2
58.32248	2.4
59.05015	2.9
59.96750	2.0
61.02934	9.5
65.03954	3.1
66.41362	2.1
67.05515	100.0
69.03429	7.8
69.07067	25.1
71.05006	4.3
71.42943	2.4
73.02911	3.3
75.03067	2.2
79.05502	36.0
81.03425	6.5
81.07068	51.8
83.05006	9.1
83.08622	12.7
85.02895	11.1
85.06569	3.7
86.09699	11.8
91.03967	3.5
91.05482	34.9
93.07056	34.7
94.07851	2.4
95.04996	11.0
95.08611	27.0
97.02897	6.6
97.06531	10.2
97.10155	3.9
103.74958	2.3
105.07053	25.3
107.04980	5.4
107.08603	20.9
109.06502	5.1
109.10175	61.8
111.08088	7.4
113.09691	2.5
117.07047	9.4
119.08589	23.1
121.06480	2.6
121.10176	10.0
123.08118	4.1
125.00037	7.2
125.09713	3.3
127.03892	3.7
129.05498	7.1
129.07013	3.8
131.08574	13.1
133.06505	3.5
133.10143	19.1
135.08087	2.9
135.11784	5.4
137.09671	3.6
138.78464	2.2
143.08595	5.5
145.10150	10.1
147.11719	11.3
149.09628	7.5
149.13258	7.0
154.31934	2.2
155.10701	4.2
157.10149	5.4
159.11737	9.9
160.89908	2.2
161.13293	5.2
163.11169	4.4
169.10092	2.8
170.88429	2.8
171.11673	4.9
173.11763	14.9
173.13162	5.0
177.12762	3.2
179.14317	3.2
184.07356	36.7
185.13336	3.4
207.13855	5.4
212.15070	2.6
229.14397	50.8
245.13982	3.2
257.19119	3.6
259.20618	5.0
269.17566	7.0
275.20087	11.8
281.17474	7.2
331.23077	2.5
333.24133	4.3
341.68701	2.5
349.23712	6.4
383.29791	4.1
406.27066	7.4
423.27396	30.6
424.27954	3.4
435.27316	16.9
475.34122	6.5
503.33856	6.6
505.34329	2.6
556.37354	2.4
577.40814	3.0
577.68854	2.9
718.36896	31.2
719.39764	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	718.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26329	0.6
53.03945	2.1
53.99760	0.6
55.01877	4.1
55.05511	16.0
57.03438	10.3
57.07078	1.5
57.07947	0.6
59.05005	5.1
60.00276	0.7
61.02913	2.9
65.03948	2.0
67.05504	100.0
68.05850	0.9
68.33333	0.7
69.03428	4.5
69.07067	15.1
71.01331	0.9
71.04996	5.5
72.58984	0.6
73.02916	2.0
79.05491	21.9
81.03419	6.4
81.07054	36.8
83.04972	4.4
83.08616	12.1
85.02893	4.6
85.06562	3.2
91.03960	0.9
91.05478	23.5
93.07043	26.5
95.04961	5.3
95.08608	15.1
96.96816	0.6
97.02892	3.7
97.06522	7.5
97.10174	4.8
97.29395	0.6
99.04462	0.7
99.08092	1.1
99.43063	0.7
101.15948	0.6
105.04521	1.5
105.07031	14.8
107.04951	4.9
107.08585	17.1
109.02840	0.9
109.06509	3.2
109.10155	65.9
110.10489	1.0
111.08086	4.0
113.09746	0.7
117.07013	8.0
119.08572	14.0
121.06509	1.5
121.10146	8.3
123.08099	2.2
123.11702	1.5
125.09640	5.6
127.03932	2.0
129.05476	1.1
129.07016	2.2
131.08553	7.8
133.06596	0.7
133.10127	9.3
135.08057	2.0
135.11674	7.4
137.09607	5.2
137.13295	0.7
141.06969	0.8
143.08580	1.8
145.10126	6.1
147.08099	0.7
147.11702	4.6
149.09627	7.2
149.13217	4.7
151.11116	1.2
153.09149	0.8
155.08583	1.2
155.10701	2.7
157.10173	1.7
159.11681	5.0
161.13249	1.7
163.11166	3.7
168.79620	0.6
169.10201	0.9
171.11761	1.0
173.04443	0.8
173.11766	17.4
173.13261	2.7
177.12793	2.2
179.14325	1.7
183.11711	1.4
187.14822	0.9
189.11278	2.8
195.13867	1.5
227.12785	9.7
229.14340	58.9
229.19357	1.7
230.14664	1.6
239.17976	2.1
247.20607	1.5
255.15816	3.8
257.18982	4.6
267.15897	1.2
269.17493	9.3
275.20053	18.4
275.22913	1.3
276.20306	0.8
293.17542	1.0
293.21088	1.4
325.20084	1.1
331.22766	2.1
349.23737	16.4
367.24841	1.6
399.23868	3.0
407.27966	1.4
409.25897	15.1
413.21909	1.2
423.27393	51.6
424.27893	3.6
503.33679	28.6
504.33868	2.2
521.34656	5.4
543.28168	1.1
567.31299	2.5
718.37555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
53.03934	2.0
55.01861	3.4
55.05256	1.3
55.05512	15.8
57.03442	12.3
57.07071	1.8
58.06571	1.0
59.04988	4.0
61.02912	3.3
65.03925	2.7
67.05503	100.0
68.05843	1.9
69.03420	4.2
69.06715	1.0
69.07072	12.6
71.04987	4.0
73.02901	1.8
79.05490	26.2
81.03419	7.4
81.07056	45.6
82.07397	1.1
83.04982	5.3
83.08611	11.0
85.02895	3.9
85.06537	3.8
91.03913	1.1
91.05477	22.8
93.07046	30.4
95.04971	5.4
95.08610	18.5
97.02874	2.9
97.06525	6.6
97.10179	3.2
99.04421	1.0
99.08063	1.5
103.05419	0.8
105.04534	1.1
105.07031	15.2
107.04947	3.2
107.08591	18.1
109.02828	0.9
109.06520	3.5
109.10155	70.9
110.10459	1.2
111.08105	6.2
113.09666	1.0
117.07008	6.9
118.44462	1.0
119.08582	15.4
121.06465	2.3
121.10143	9.3
123.08038	1.4
123.11688	1.3
125.09618	3.2
127.03899	1.9
129.07013	1.8
131.00163	1.1
131.08557	8.7
133.06471	1.4
133.10123	10.4
135.08084	2.0
135.11711	7.7
137.09613	3.6
143.08539	2.2
145.10139	6.2
147.09193	0.9
147.11699	4.8
149.01109	1.1
149.02322	3.1
149.09607	6.4
149.13249	6.5
151.11153	1.5
155.10654	4.6
157.10143	2.0
159.11697	6.9
161.13252	2.2
163.11188	3.4
165.12700	1.0
169.10213	1.1
171.11653	1.8
173.11732	16.5
173.13162	0.8
175.11089	1.0
177.12729	3.4
189.11212	1.6
193.05020	4.7
195.13849	4.3
227.12753	3.3
229.14343	58.1
230.14729	2.0
239.17903	1.1
241.19463	1.0
253.14250	1.2
255.15996	5.5
257.19028	2.8
259.20544	1.8
269.10712	2.3
269.17444	17.1
275.20074	10.6
275.66397	1.0
293.17557	1.1
293.20844	1.1
331.22311	1.3
333.24072	1.4
339.18024	1.1
349.23730	12.2
367.24670	2.4
368.25400	0.9
385.09149	1.7
409.25882	17.2
410.26242	1.7
423.27399	84.5
424.27942	4.6
429.11652	3.7
449.28793	3.3
475.30286	4.1
487.18567	2.3
488.18652	1.6
503.33740	19.2
504.33911	1.3
507.33142	1.2
521.34509	5.5
527.37195	2.3
567.31873	2.0
718.37030	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	718.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.05513	7.0
57.03434	5.4
57.06815	1.8
57.07079	23.2
67.05508	13.6
69.07067	7.0
70.90747	1.6
71.08341	1.3
71.08640	15.8
79.05497	12.0
80.10860	1.5
81.03425	2.1
81.07064	16.6
83.08630	10.6
85.10172	10.5
86.23853	1.7
89.06004	2.2
91.05465	4.6
93.07054	19.6
95.04972	3.2
95.08612	33.0
97.02901	3.6
97.06573	1.6
97.10172	3.9
99.04459	2.2
105.07017	3.4
107.04952	4.6
107.08611	17.2
109.10138	6.0
111.11703	1.6
117.07015	6.1
119.08552	8.1
121.06481	2.8
121.10171	8.6
123.11678	1.9
125.05984	3.4
133.10101	2.4
135.11707	35.2
136.83507	1.4
139.07558	1.6
145.10123	23.6
163.11188	43.5
164.11484	1.7
170.54253	1.5
181.12245	9.2
184.07379	2.1
191.76749	1.4
209.11667	1.7
219.54060	1.3
227.12785	53.2
232.98355	1.6
283.15417	89.0
284.15662	2.2
313.27383	92.2
314.27780	2.6
521.38416	100.0
522.38947	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	719.376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24955	0.7
55.05507	1.3
55.19209	0.7
57.03442	0.9
57.07061	0.7
62.65301	0.6
67.05506	1.8
69.03436	0.8
70.61159	1.4
74.56345	0.6
79.05496	1.5
81.03429	2.0
81.07061	2.3
83.08625	1.8
85.02883	1.3
86.09672	0.9
91.05479	2.1
93.07056	1.6
95.04964	1.4
95.08609	1.7
97.02944	0.8
105.07012	0.9
121.10155	1.0
184.07324	3.9
193.12320	0.8
211.13365	1.5
267.15900	0.7
285.17020	2.4
311.25882	2.1
312.26016	1.3
332.04318	0.7
376.70172	0.8
522.38757	2.6
576.59839	0.8
719.37598	100.0
720.37915	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	719.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88536	0.6
53.03923	0.7
55.05519	1.6
57.03432	1.9
61.02927	5.9
67.05508	5.7
69.03429	3.3
69.07051	1.2
69.63799	2.1
71.05009	1.2
73.02932	4.4
79.05505	4.1
79.61323	0.7
81.03420	2.6
81.07068	4.6
81.54662	0.6
85.02902	6.6
87.04500	0.7
90.95671	0.7
91.03953	3.6
91.05496	3.9
93.07053	5.0
95.04983	2.6
95.08627	2.6
97.02918	5.2
101.02390	1.5
105.07063	1.9
107.08598	2.0
109.02843	0.9
109.10165	1.3
111.04518	0.7
114.36459	0.6
117.07063	1.1
119.08570	1.7
121.10113	3.3
127.03948	1.5
131.08598	1.6
133.10156	2.1
135.11745	1.1
147.11684	1.0
149.09668	0.7
173.13228	0.8
184.07359	0.9
193.12276	0.9
202.00960	0.6
211.13371	1.0
232.17641	0.7
243.08482	1.5
251.12628	5.6
307.15472	0.8
367.25974	0.7
384.57404	0.8
469.20602	4.0
491.25943	6.1
719.39575	100.0
720.40234	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	719.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01864	0.4
55.05511	1.1
57.03437	2.1
59.04981	0.2
61.02925	5.9
65.03944	0.2
67.05506	4.2
69.03430	3.3
69.07066	0.6
69.17120	0.2
69.17430	1.3
71.01353	0.5
71.04994	0.4
71.36414	0.2
73.02540	0.3
73.02920	4.0
75.31314	0.2
79.05489	4.5
81.03414	2.4
81.06620	0.3
81.07058	3.4
83.04984	0.4
83.08623	0.8
85.02903	6.4
87.04450	0.4
91.03954	3.8
91.04495	0.3
91.05486	2.6
93.07043	4.2
95.04979	1.1
95.08614	2.2
97.02889	4.6
97.03486	0.3
97.06532	0.5
98.23446	0.3
99.04461	0.8
101.02374	1.6
103.03954	0.6
105.04517	0.3
105.07034	1.8
107.08596	1.0
109.02896	0.6
109.06531	0.3
109.10155	1.1
111.08093	0.4
115.03926	0.3
117.06986	0.3
119.08577	1.4
121.10142	2.9
122.60477	0.2
123.08059	0.3
127.03927	1.7
129.07008	0.4
131.08521	1.1
133.10135	1.1
135.11714	0.6
137.09555	0.3
145.04932	0.3
145.10149	0.4
147.11699	0.9
147.93280	0.2
149.09663	0.2
149.13309	0.3
157.10196	0.3
159.11763	0.3
173.13248	0.2
175.11298	0.3
185.04291	0.7
193.12236	0.5
203.05350	0.5
211.13281	0.2
215.18069	0.2
242.36110	0.2
243.08430	1.8
251.12645	1.0
307.22745	0.8
469.20493	3.2
469.27228	0.3
491.26184	6.7
492.26599	0.2
525.32111	0.2
719.39624	100.0
720.39996	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	719.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	0.4
55.05513	0.7
57.03431	1.3
61.02926	3.8
61.37636	0.3
67.05500	3.6
67.55412	0.3
69.03120	0.3
69.03432	2.3
69.07062	0.9
69.62839	1.0
71.01377	0.3
71.05015	0.7
73.02914	2.7
79.05486	3.0
81.03426	2.9
81.07062	2.9
81.26097	0.3
81.42602	0.3
83.01288	0.3
83.04985	0.4
85.02908	4.3
86.57482	0.3
88.38384	0.3
90.61182	0.3
91.03951	2.3
91.05477	4.1
91.05990	0.4
93.07040	2.9
95.04981	0.7
95.08602	3.0
97.02892	3.8
97.06544	0.4
99.04475	0.6
101.02372	2.0
103.03904	0.4
103.95589	0.4
105.07030	1.4
107.08595	1.4
109.02896	0.6
109.10193	1.7
111.08052	0.4
117.07001	0.4
119.08584	3.6
121.10140	1.0
123.08080	0.5
123.11696	0.5
127.03921	0.9
131.08594	0.6
133.10123	0.6
135.11700	0.6
136.42598	0.3
137.09639	1.1
144.07533	0.3
145.10152	0.4
147.08098	0.7
159.11702	0.4
161.13214	0.3
165.09142	0.8
178.29170	0.3
184.07358	0.9
185.04208	0.5
189.49619	0.3
192.68283	0.3
222.40906	0.3
223.09389	0.5
243.08345	2.1
247.67053	0.4
314.33304	0.3
335.25919	0.5
361.28391	0.3
387.05151	0.3
438.26361	0.3
441.17279	5.2
442.17398	0.4
469.19974	0.5
491.26117	0.6
519.29431	3.0
557.36914	0.3
692.77856	0.3
719.39685	100.0
720.27576	0.6
720.39972	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	719.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03953	0.7
55.01866	0.4
55.05515	2.1
57.03437	2.8
60.57308	0.3
61.02926	3.2
62.98441	0.3
67.05499	5.8
68.97726	0.3
69.03430	1.8
69.07058	1.9
71.01357	0.6
71.04986	0.5
73.02911	2.3
78.26191	0.3
79.05492	5.8
81.03417	1.5
81.07055	4.7
83.05000	0.7
83.08620	0.9
84.12637	0.3
85.02903	3.4
87.04485	0.4
91.03952	2.5
91.05468	5.1
93.07043	7.2
95.04967	1.2
95.08620	2.3
97.02894	3.1
97.06527	0.6
97.10142	0.5
99.04482	0.5
101.02393	1.3
105.04583	0.3
105.07027	3.7
107.08608	2.7
109.02860	0.5
109.10163	1.4
111.08110	0.3
115.03974	0.4
117.07027	1.3
119.08593	2.7
121.10132	3.0
127.03905	1.8
129.05467	0.7
129.07010	0.7
131.08578	1.6
133.10112	2.4
135.08087	0.4
135.11696	1.0
143.08562	0.4
145.10159	1.2
147.11658	2.1
149.09627	0.4
149.13310	0.9
157.10133	0.9
159.11731	0.9
161.13251	0.5
167.10738	0.6
171.11728	0.8
172.12109	0.4
173.13474	0.4
183.11703	0.5
185.04214	0.7
201.03760	0.4
207.13817	0.4
229.00093	0.4
235.13162	0.6
235.28987	0.4
241.19574	0.5
243.08408	2.9
259.20593	0.9
281.17606	1.0
301.09055	0.8
315.10434	0.8
317.20737	0.5
333.24252	0.5
355.13272	0.3
357.15121	0.6
373.11157	0.4
415.15967	0.5
425.17841	5.9
453.21048	2.7
497.19916	0.4
507.25775	3.8
525.23340	2.0
535.28357	1.7
539.37354	0.8
567.27167	0.3
581.29272	0.6
607.30438	0.3
621.48737	0.4
719.39691	100.0
720.40137	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	719.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05511	3.1
57.03442	3.0
59.05007	0.8
61.02930	5.0
67.05510	15.3
68.05830	2.4
68.52061	0.5
69.03432	3.2
69.07078	3.3
71.05011	1.2
71.44357	0.6
73.02920	3.3
79.05493	7.3
81.03426	2.9
81.07056	8.6
82.07383	0.7
83.04987	1.5
83.08614	1.5
84.95735	0.6
85.02919	5.2
85.06563	0.9
86.09757	0.6
87.04473	0.9
87.39304	0.6
91.03957	2.8
91.05482	7.4
92.05812	0.7
93.07048	7.9
94.07364	1.1
95.04971	2.2
95.08605	5.0
97.02888	3.7
97.06530	1.5
97.10205	0.6
101.02406	1.9
105.04534	0.8
105.07036	5.7
107.04977	0.9
107.08589	4.6
109.10153	7.9
110.10493	2.1
111.08091	0.9
117.07041	2.0
119.08588	4.5
120.08889	0.7
121.10144	4.6
127.03915	1.5
129.05478	0.7
129.07013	0.8
131.08603	2.3
133.10135	3.8
135.08093	0.6
135.11736	1.5
145.10124	2.2
147.08034	0.6
147.11705	2.2
148.12038	0.6
149.09624	1.7
149.13239	1.2
150.71350	0.6
157.10126	0.7
159.11697	1.6
160.12027	0.7
161.09740	0.5
161.13258	1.2
163.11165	0.7
167.10678	1.1
171.11789	0.9
173.11765	2.6
173.13193	0.7
174.12077	0.9
184.07323	0.7
185.04294	1.5
195.13776	0.6
225.22253	0.5
227.12784	0.9
229.14328	6.0
230.14691	3.0
235.13106	0.6
243.08365	2.8
259.20569	1.3
260.21066	0.8
263.12708	0.5
269.17490	0.8
272.55576	0.6
280.07355	0.6
283.76178	0.5
297.80240	0.6
301.09000	1.0
315.10645	0.7
333.24170	0.8
334.24536	1.2
373.11060	0.6
423.27292	1.7
424.27707	3.0
425.17764	7.0
426.18546	0.7
453.21066	2.8
469.20761	0.6
506.35336	0.9
507.25626	2.6
525.23633	0.8
535.29022	2.2
719.39514	100.0
720.40125	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	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
52.55236	1.0
53.03950	4.2
55.01875	5.7
55.05509	28.1
57.03436	13.7
57.07071	1.7
59.05000	1.3
61.02927	3.4
62.92566	0.9
65.03942	4.3
67.05503	67.9
68.05848	1.3
69.03438	4.3
69.07067	20.7
69.20467	5.5
71.04986	5.7
71.08629	1.3
73.02922	3.1
73.06563	2.2
76.64539	0.9
77.03925	1.4
79.05492	93.4
80.05808	1.3
81.03421	11.6
81.07056	69.6
82.07425	1.4
82.52416	1.1
83.04979	11.8
83.08612	11.3
85.02913	3.9
85.06552	4.0
87.04428	1.1
91.05479	100.0
93.07043	92.1
94.07360	2.2
95.04963	24.7
95.05515	1.8
95.08604	42.5
97.02887	4.3
97.06522	7.3
97.10172	5.4
98.23500	2.1
99.04448	1.2
99.08096	3.6
101.02394	1.3
103.03917	1.2
103.05489	3.1
105.04545	6.8
105.07026	84.5
107.04964	8.0
107.08590	34.3
109.06523	5.9
109.10143	13.0
111.08093	3.6
113.09666	1.5
115.05433	2.9
117.07021	24.1
119.08580	62.1
121.06506	3.5
121.10141	19.1
123.08070	6.8
123.11726	2.4
123.86069	0.9
125.09653	1.7
127.07542	1.2
127.11163	1.3
128.06181	5.1
129.05556	1.3
129.07007	26.6
130.07791	1.5
131.08572	24.7
133.10126	45.6
135.08043	2.6
135.11685	13.5
137.09637	2.3
140.50708	1.0
141.07002	3.1
141.09111	1.3
142.07803	1.2
143.08542	18.7
143.09576	1.1
144.09323	1.5
145.06531	2.1
145.10117	24.9
145.11212	1.5
147.08061	3.1
147.11679	56.2
148.12082	1.1
149.09615	3.1
149.13261	8.8
151.11169	1.3
155.08563	4.0
157.10121	11.5
159.11688	18.9
161.09647	3.5
161.13255	29.5
163.11221	2.6
163.14851	2.2
167.08533	2.4
169.10112	6.1
171.11676	35.2
173.13249	11.1
175.14851	12.9
177.11281	1.0
177.12793	3.2
181.10127	3.1
183.11749	2.9
185.13246	9.6
187.11241	2.5
187.14912	5.0
189.12750	9.0
193.10159	1.6
193.12451	1.2
195.11771	3.3
195.13667	1.7
197.13257	4.0
199.14827	6.8
207.11850	1.6
207.13768	15.5
209.13309	2.4
211.14815	2.1
213.16417	3.1
215.17963	1.8
217.19475	2.2
221.13313	1.7
223.14937	2.5
231.21155	5.5
239.17986	1.3
241.14384	1.2
241.19499	24.0
257.19052	3.5
259.20569	46.1
260.20853	2.2
261.22235	1.7
275.20047	6.2
279.15939	14.4
281.17450	53.0
282.17828	2.8
297.22095	1.5
315.23135	7.6
323.23889	1.7
323.62674	1.1
333.24249	40.1
367.22495	1.1
437.34494	1.9
441.47495	1.1
447.32813	7.0
465.33627	7.1
483.34674	3.7
491.25873	1.3
521.36255	3.0
529.38806	1.9
539.37347	57.6
540.37543	4.7
557.38330	19.9
558.38800	1.2
576.51025	1.4
646.10931	1.3
647.39063	2.0
654.10260	1.2
701.42017	2.8
719.39563	24.7
720.39520	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	720.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01867	0.7
55.05291	0.6
55.05511	6.4
57.03429	5.0
65.03932	1.1
67.05165	1.1
67.05506	18.9
69.03421	0.9
69.07064	3.6
69.52021	1.0
71.04993	1.4
73.06548	0.8
77.03915	1.1
79.05492	26.6
81.03417	34.2
81.07055	16.0
83.04984	5.6
83.08621	9.2
85.02897	0.7
85.06550	1.2
91.05478	19.6
93.07043	22.8
95.04968	17.1
95.05431	0.4
95.08607	8.3
97.02892	1.3
97.06522	1.9
97.10154	1.5
105.04520	1.3
105.07030	16.1
105.07730	1.1
106.07349	0.6
107.04941	4.0
107.08592	7.2
109.06493	3.2
109.10115	2.7
111.08068	3.1
117.07019	3.3
119.08577	11.7
121.06506	1.7
121.10147	2.6
123.08073	2.6
125.09618	0.6
127.07586	0.6
128.06161	0.7
129.06996	7.7
131.08559	4.4
133.06528	1.5
133.10117	5.7
135.08070	0.6
137.05998	0.8
137.09584	0.7
142.07803	0.7
143.08556	3.0
145.10146	4.6
147.08058	2.2
147.11673	15.4
149.09613	2.1
157.10152	3.8
159.11693	0.7
161.09602	1.4
161.13231	4.1
163.11166	0.8
165.12718	0.8
171.11697	9.9
175.11180	4.0
189.11163	0.6
189.12683	2.8
193.12239	8.9
207.13805	10.4
207.15785	0.5
211.13235	0.8
226.45467	0.5
237.17198	0.5
249.14931	1.0
267.15903	34.2
268.16235	1.3
279.49237	0.5
281.17462	33.8
282.17883	1.5
306.87872	0.5
381.24228	0.6
421.25665	0.8
473.28973	100.0
474.29340	8.4
491.29901	2.4
515.30206	1.5
581.30841	1.2
588.47302	0.6
640.24615	0.6
645.02777	0.6
655.93671	0.6
720.33453	7.2
721.34100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.7
55.01863	2.4
55.05513	13.0
57.03437	17.4
57.07075	34.8
61.02927	4.1
67.05503	21.5
69.03429	2.9
69.07080	12.2
71.04977	4.2
71.08272	1.9
71.08636	24.9
79.05487	17.5
81.03420	55.3
81.03903	2.8
81.07056	29.9
82.95335	1.1
83.04987	9.3
83.08621	27.1
85.02901	21.8
85.06523	1.4
85.10178	14.9
89.06052	1.3
91.03957	2.0
91.05486	23.1
93.07046	13.5
95.04968	21.3
95.08603	21.7
97.02902	3.8
97.06523	3.6
97.10175	6.4
98.23525	2.2
105.07043	17.4
107.04979	6.2
107.08595	5.5
109.06522	3.1
109.10155	9.5
111.08067	7.6
113.05997	2.2
119.08594	14.1
121.10126	9.3
123.11684	5.5
129.07001	7.5
131.08548	7.8
133.06541	2.5
133.10124	9.8
137.09579	1.9
142.70439	1.2
147.08034	3.3
147.11679	14.7
149.09625	4.1
157.10124	12.4
165.12704	2.4
175.11192	14.7
184.07330	3.8
193.12248	35.7
194.12738	1.4
205.59393	1.2
211.13292	55.3
228.92838	1.6
257.24667	2.4
267.15948	17.9
285.16968	72.8
286.17206	3.7
293.20691	1.2
313.27383	76.6
314.27686	2.5
411.87445	1.4
505.38889	14.5
523.39948	100.0
524.40155	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	7.4
57.03445	1.9
57.36436	0.9
60.78665	1.0
61.02926	1.9
69.03429	3.5
70.42478	1.0
71.05002	3.5
73.02929	1.9
74.96880	0.9
81.03396	1.5
83.00803	0.9
84.30171	0.9
85.02911	7.9
95.04970	1.5
97.02901	3.6
98.97578	26.8
109.02885	1.2
110.97599	3.2
112.99140	0.9
113.06011	4.5
116.98615	13.3
116.99404	1.1
117.03403	1.2
118.58604	1.0
127.03902	3.0
128.02324	1.6
128.98613	3.6
131.07053	4.5
134.99678	2.3
135.04457	1.7
143.00148	2.6
145.02859	1.3
145.04932	1.1
146.99637	2.2
153.01831	3.4
154.93192	5.4
154.98146	0.9
156.70357	1.0
158.99620	5.8
161.01213	2.5
163.03885	6.7
169.01736	1.4
170.99673	3.0
172.94081	6.9
175.04416	6.2
177.00731	5.0
182.03268	4.4
182.99577	1.5
184.04935	3.0
185.01326	1.0
187.02788	5.0
189.00710	1.9
190.95372	4.9
191.03696	1.5
196.94290	13.9
198.95909	1.6
201.00693	3.0
205.03883	3.4
208.94345	2.1
211.02792	14.6
212.03293	0.9
214.95378	44.3
219.01756	15.2
223.98639	0.9
226.95415	8.5
226.98627	2.4
228.97092	1.3
229.03818	27.5
231.07050	2.4
232.96437	41.2
233.03218	1.8
237.02812	19.2
240.96982	2.0
244.96481	7.8
244.99524	1.2
245.03452	1.9
247.04610	1.3
247.06700	2.0
250.97549	5.5
256.96463	28.7
258.97998	3.5
262.97681	1.6
268.96429	10.1
271.04901	3.4
274.97485	20.0
277.03482	1.3
280.96613	1.5
284.99689	1.4
286.97479	10.9
298.97403	7.0
303.01202	4.1
304.98477	1.5
308.99536	5.8
312.09616	24.1
312.59839	5.6
313.09735	2.5
316.98529	27.2
325.02313	1.1
327.00568	5.7
330.07922	1.6
331.06876	7.3
334.99643	7.2
340.00308	0.9
340.57977	1.5
349.08353	6.6
353.01633	2.1
361.08179	1.1
362.06097	0.9
369.01282	2.3
369.08545	1.2
371.06491	1.2
371.56494	1.1
391.09039	2.8
394.99429	1.4
429.03781	100.0
430.04202	4.1
447.04938	10.4
458.15182	1.0
458.65448	1.2
477.12741	2.0
489.05911	71.5
490.06134	2.9
495.10904	1.5
501.05753	25.3
519.07111	5.6
549.07831	3.3
563.41858	1.1
652.15570	1.1
663.14410	3.4
668.63824	1.1
721.15161	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	721.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01871	0.7
55.05516	1.4
57.03444	2.0
57.07075	0.4
61.02927	4.6
67.05508	5.7
69.03431	2.7
69.07067	1.3
71.01354	0.4
71.04992	0.3
73.02910	3.0
74.62949	0.3
79.05495	2.7
81.03419	2.8
81.07057	5.3
83.01331	0.3
83.04993	0.7
83.08628	0.9
85.02906	5.7
86.09704	0.5
87.04478	0.4
88.03842	0.3
91.03946	3.1
91.05492	2.2
91.56377	0.2
93.07040	2.0
95.04964	0.5
95.08608	2.7
97.02895	4.0
97.06525	0.4
97.58492	0.3
99.04482	0.7
99.08107	0.4
101.02379	1.4
103.03958	0.3
105.07040	1.4
107.04948	0.4
107.08604	1.3
109.02898	0.4
109.06511	0.4
109.10163	0.9
111.08092	0.3
115.03924	0.4
119.08593	1.1
119.71536	0.2
121.10141	1.0
123.11727	0.8
125.00004	0.4
125.09654	0.3
127.03901	1.3
129.07028	0.2
131.08578	0.6
133.10155	0.8
135.11711	0.9
135.22438	0.3
145.10127	0.4
145.22661	0.3
147.11731	0.6
161.13309	0.4
175.11154	0.4
184.07326	1.9
185.04218	0.7
193.12285	0.5
203.05310	0.7
243.06407	0.3
243.08440	1.6
243.10651	0.3
251.12663	1.3
309.24283	0.9
340.58261	0.3
469.20490	2.9
493.27707	6.4
493.34509	0.4
721.41284	100.0
722.41589	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	721.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39595	1.2
53.03950	4.7
53.20600	1.4
55.01872	4.1
55.05518	27.6
57.03446	11.0
57.07084	4.4
59.04994	1.9
61.02928	5.9
65.03951	4.9
65.68378	1.2
67.05512	77.4
68.05837	1.7
69.03439	17.1
69.07076	21.4
69.50079	3.4
69.50461	2.5
71.05000	32.3
71.08656	2.6
73.02921	4.3
77.03927	2.8
79.05502	50.1
81.03428	41.9
81.07064	100.0
82.07446	1.4
83.04993	13.1
83.08620	15.7
85.02914	10.2
85.06545	8.9
87.04476	1.7
91.03979	1.9
91.05489	63.2
93.07053	60.6
95.04986	13.6
95.08616	38.7
97.02898	14.3
97.06541	11.1
97.10184	5.9
98.23518	1.5
99.04472	5.2
99.08104	3.8
103.03953	2.5
103.05461	2.5
105.04559	2.5
105.07037	47.7
107.04958	6.2
107.08603	31.8
109.02891	4.9
109.06553	5.5
109.10175	15.8
111.04455	3.6
111.08111	4.3
113.12330	1.4
115.05476	3.9
116.06239	1.5
117.07027	23.9
119.08588	39.9
121.06537	4.0
121.10149	23.7
123.08105	2.7
123.11732	14.6
125.09659	3.9
127.03953	5.3
128.06259	5.9
129.05495	4.6
129.07011	19.2
130.07770	1.5
131.05009	1.4
131.08582	34.6
133.06531	2.7
133.10136	35.6
135.08060	4.0
135.11703	13.1
137.06007	1.5
137.09639	3.5
137.13329	1.8
139.11211	2.0
140.17259	1.3
141.07033	6.1
142.07806	2.9
143.08560	20.5
145.06483	2.9
145.10136	25.2
147.08087	3.1
147.11707	21.2
149.09644	3.1
149.13274	12.3
151.11218	5.0
153.07040	1.4
153.12775	1.9
155.08627	10.0
156.09283	2.5
157.06503	1.9
157.10139	18.0
158.10840	1.5
159.08073	2.3
159.11711	27.2
161.09715	3.3
161.13260	11.4
163.11224	1.6
163.14885	3.5
165.12758	3.0
167.08601	4.5
168.09418	1.9
169.10143	12.3
171.08096	2.7
171.11705	18.5
173.04485	17.1
173.09647	2.3
173.13268	13.6
175.11172	6.9
175.14835	4.6
177.12743	4.4
179.14378	1.8
181.10199	6.8
183.08170	1.8
183.11697	13.6
183.13445	2.1
185.09656	1.7
185.13260	12.5
187.13300	5.2
187.14848	5.5
189.16368	1.6
193.10263	2.1
193.12273	4.3
195.11734	5.5
195.13542	1.3
197.09741	1.5
197.13301	7.8
197.14983	1.3
199.11177	3.6
199.14838	6.6
201.12910	2.2
201.14833	1.9
201.16550	2.3
203.14407	1.6
207.11795	2.3
209.09700	1.5
209.13300	4.0
211.14861	3.7
213.12880	1.6
213.16437	4.4
215.14481	1.8
215.17967	1.9
219.11787	2.5
221.13219	3.0
223.11305	1.7
223.14897	3.6
225.14755	3.3
225.16667	2.2
227.14433	1.6
227.16335	2.6
235.14949	1.9
237.12798	2.6
239.18063	1.9
241.19537	5.6
243.15889	7.7
243.21132	1.7
257.17545	5.2
259.20734	12.7
261.22217	4.6
267.15967	3.3
269.17508	5.9
271.20474	2.9
273.22003	1.6
275.20166	3.1
283.16962	1.4
283.20535	1.8
285.22159	2.8
289.21701	1.8
295.20587	2.4
297.22263	2.4
299.18997	1.4
301.20157	4.1
313.21643	2.9
315.23331	2.0
317.24915	1.6
321.21924	1.8
323.23608	2.6
333.24469	10.4
339.18158	2.2
339.23337	2.8
349.21545	3.0
351.23111	1.8
367.22681	5.3
369.24219	1.6
385.23703	3.2
393.31723	1.8
409.31152	3.8
411.32477	2.0
435.32626	3.7
441.26419	2.8
443.12122	1.5
445.24277	4.0
453.33853	1.9
483.34531	3.6
485.36377	2.0
491.26563	1.7
501.35785	29.6
502.36505	1.9
503.30969	1.6
503.37369	34.7
509.36102	2.9
527.37347	39.9
528.37756	1.8
533.38214	4.0
543.35883	1.9
559.40344	6.9
609.37427	1.4
611.39294	1.8
635.39270	5.9
641.39203	1.9
653.40118	6.7
655.41931	1.9
667.41760	9.9
671.41644	8.8
685.42426	5.5
689.42615	10.8
703.44080	10.1
721.38849	13.5
721.49854	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	722.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01874	2.6
55.05512	6.7
55.57327	0.5
57.03437	9.1
60.56721	0.5
61.02911	0.7
65.03912	0.6
67.05502	14.4
69.03403	1.8
69.07063	4.5
71.04959	2.3
73.02902	0.9
79.05492	17.4
81.03417	45.5
81.07055	14.0
82.03725	0.8
83.04980	5.4
83.08621	14.5
84.59406	0.6
85.02878	2.4
87.48421	0.5
91.04955	0.6
91.05481	11.7
93.07040	21.5
95.04972	15.9
95.08605	18.6
97.02914	3.4
97.06528	3.5
97.10142	1.7
99.04462	3.0
99.08083	1.2
105.07030	10.7
107.04254	0.7
107.04948	8.4
107.08591	14.6
109.06529	2.8
109.10114	2.2
109.24348	0.5
111.04404	2.4
111.08084	4.1
113.06031	0.8
115.05399	0.8
117.07014	4.8
119.08584	11.5
121.06512	5.3
121.10149	10.3
123.08070	1.6
123.11720	0.7
125.05968	2.1
125.09627	0.7
129.07001	5.8
130.07811	0.6
131.08568	4.8
133.06473	1.5
133.10106	4.1
135.08015	1.6
135.11691	27.3
137.09595	0.7
139.07449	1.0
142.07735	0.7
143.08614	0.7
145.10126	15.7
147.07996	2.0
147.11687	4.5
149.09569	3.0
153.12721	0.8
157.10130	6.1
163.11183	39.7
164.11522	1.6
165.12738	0.7
173.09605	1.0
175.11191	6.9
181.12242	6.6
191.10605	1.1
193.12247	14.4
209.11717	2.1
211.13245	3.5
223.13239	0.9
227.12776	39.5
228.13354	0.6
241.14394	0.6
249.14687	0.9
267.15906	82.9
268.16232	2.2
277.99222	0.6
283.15390	56.0
284.15771	1.9
285.17014	2.3
315.17993	1.7
383.22028	1.4
401.23285	0.7
457.25818	3.3
475.26904	100.0
476.27310	6.2
493.27896	5.6
507.29446	1.4
517.28162	1.0
525.30682	4.1
722.37347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01884	4.2
55.05518	9.5
57.03440	8.3
57.07075	0.6
59.05004	1.3
61.02927	0.9
65.03918	0.5
67.05162	0.8
67.05510	13.4
69.03423	1.5
69.07075	4.6
71.01355	0.8
71.05001	2.6
77.03874	0.5
79.05502	13.4
81.03423	37.5
81.07061	13.5
83.01353	2.4
83.04985	6.4
83.08632	11.5
85.02924	2.7
85.06522	1.0
91.05486	13.8
93.07053	14.3
95.04971	14.4
95.08611	5.8
97.02918	2.5
97.06544	3.6
97.10171	4.5
98.22607	1.1
99.04464	1.0
105.07042	8.7
105.12804	0.6
107.04964	6.3
107.08592	9.0
109.02879	1.0
109.06528	4.3
109.10169	3.8
111.04437	2.9
111.08082	4.0
113.05990	0.7
115.05463	0.6
117.07028	4.9
119.08579	8.5
121.06500	3.4
121.10149	5.5
123.04427	0.8
123.08063	4.2
123.11718	0.8
125.06013	1.3
125.09639	4.4
128.06209	0.7
129.07021	5.2
131.04958	1.0
131.08578	6.0
133.06491	1.9
133.10150	3.1
135.04474	0.6
135.08075	2.0
135.11716	4.9
137.09625	1.3
142.07852	1.0
143.08542	1.1
145.06482	1.5
145.10141	6.7
147.04411	0.9
147.08061	3.4
147.11705	4.2
149.09628	2.9
151.11180	0.8
153.12729	1.7
155.08598	1.3
157.06502	0.9
157.09163	0.5
157.10182	4.9
159.11746	1.0
161.05957	2.5
161.09679	0.8
163.11198	10.9
163.12595	0.6
165.12830	0.7
171.08052	0.8
173.05995	1.2
173.09621	2.1
175.11151	3.9
181.10243	0.5
181.12274	2.1
183.08105	0.7
183.11670	0.6
185.09682	1.0
189.09071	1.2
189.11293	1.4
191.10660	1.9
193.12234	10.0
201.12898	0.6
203.14331	1.0
205.12231	1.1
209.03160	0.5
209.09956	0.7
209.11678	2.8
211.13315	2.2
213.12729	0.8
227.12820	2.3
229.12193	0.8
231.13861	1.5
239.10689	0.8
243.13907	0.7
249.15034	1.3
257.15430	0.8
265.14426	0.9
267.15933	24.5
268.16458	0.8
269.15237	0.9
271.13263	0.7
273.14987	1.7
283.15393	19.7
284.15710	0.6
285.17105	1.6
287.16608	0.7
289.14313	3.4
337.21552	1.5
355.22653	1.1
365.21106	3.2
383.22177	14.4
384.22849	0.6
401.23163	6.1
419.24371	2.3
421.23682	0.6
431.24432	1.4
439.24847	2.1
457.25879	26.7
458.26212	1.7
461.28986	1.7
467.26932	0.7
475.26944	100.0
476.27368	4.3
493.28027	14.3
494.28183	0.7
507.30173	0.6
517.28101	1.0
525.30475	1.5
541.27570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.05019	0.5
57.03414	0.3
57.07066	0.3
58.06587	0.5
60.08165	5.6
62.83286	0.2
67.05473	1.0
69.07050	0.3
69.63121	0.8
71.04972	0.3
71.07372	3.0
71.08617	0.4
79.05473	0.2
81.07056	1.9
83.08597	0.6
86.09704	27.2
86.71995	0.2
91.05458	0.4
93.07041	0.4
95.08606	0.4
98.98461	3.5
104.10754	2.0
105.07034	0.2
107.08578	0.5
109.10059	0.2
124.99998	18.5
133.10086	0.4
149.13274	0.3
166.36870	0.2
184.07336	100.0
185.07666	0.7
231.35045	0.2
243.15921	0.7
269.17422	0.3
287.18674	1.2
313.27310	1.1
481.38864	2.6
525.41565	0.6
690.47046	1.3
722.49738	10.4
723.43042	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	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01883	0.3
55.05521	1.7
57.03441	1.5
57.07068	0.3
59.04990	0.3
61.02929	4.3
67.05507	9.2
69.03428	2.6
69.07083	2.1
70.52765	0.6
71.01336	0.5
71.05005	1.0
73.02915	2.9
79.05499	3.0
79.76842	0.3
81.03411	2.1
81.07051	4.5
83.04990	0.8
83.08624	1.0
85.02905	4.8
85.06556	0.4
87.04466	0.3
91.03961	2.5
91.05482	2.8
93.07049	2.7
95.04988	0.9
95.08598	2.0
97.02892	3.7
97.06548	0.6
97.10162	0.4
98.18282	0.3
99.04434	0.7
99.33861	0.3
101.02382	1.3
103.03947	0.3
105.07035	1.7
107.08611	1.4
109.02895	0.8
109.06518	0.6
109.10159	7.0
111.08109	0.7
117.07003	0.7
119.08570	1.9
121.10163	1.0
125.09718	0.4
127.03912	1.6
129.06981	0.4
131.08594	0.9
133.10109	1.3
135.11711	1.2
137.09618	0.5
145.05103	0.3
145.10175	0.9
147.11731	0.8
149.13335	0.4
155.10648	0.5
158.66264	0.2
159.11717	0.3
161.13339	0.3
161.30534	0.3
173.10185	0.4
173.11751	2.0
173.13135	0.5
184.07396	0.3
185.04297	0.5
195.10045	0.7
203.05069	0.3
229.14421	1.1
243.08388	2.9
249.77151	0.3
251.12648	0.4
275.20190	0.4
301.09006	0.3
333.20383	2.0
349.23953	0.3
379.48935	0.3
389.22986	0.4
413.17798	11.0
413.23343	0.5
414.18289	0.7
425.51263	0.3
439.19333	0.8
453.20840	1.0
485.20020	0.3
543.35828	0.5
551.28204	5.4
552.28693	0.5
625.31787	0.4
723.39203	100.0
724.39661	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	723.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91121	0.4
53.03960	0.7
55.01867	0.7
55.05516	1.3
57.03433	2.1
61.02927	4.5
61.84733	0.4
64.06230	0.4
67.05161	0.7
67.05508	10.1
69.03433	3.1
69.07078	1.8
71.04993	0.7
73.02916	3.1
79.05492	3.4
81.03419	2.6
81.07055	6.2
83.04971	0.5
83.08623	1.6
85.02905	4.9
91.03945	2.9
91.05487	3.4
93.07050	3.4
95.04957	1.1
95.08604	2.4
97.02894	4.3
97.06535	0.9
97.10185	0.5
98.22662	0.8
99.04460	1.1
101.02385	1.4
103.03991	0.5
105.07008	2.3
107.08598	2.2
109.02879	0.8
109.06510	0.5
109.10158	7.1
111.08134	0.7
111.87508	0.5
114.75787	0.4
117.07056	0.7
119.08559	2.0
121.10172	1.5
123.08105	0.5
127.03938	1.6
129.06966	0.7
131.08582	1.2
133.06538	0.5
133.10144	1.5
135.07983	0.6
135.11702	1.5
137.09595	0.8
143.08475	0.6
145.10133	1.2
149.09779	0.5
149.13335	0.8
155.10677	0.8
159.11690	0.9
163.11252	0.5
173.11760	2.5
177.12651	0.5
179.14348	0.5
182.11638	0.4
185.04214	0.7
195.09969	0.8
210.96176	0.4
215.63435	0.5
229.14452	1.6
243.08450	2.6
251.12543	0.6
255.53246	0.5
256.26468	0.6
275.20270	0.6
277.21674	0.7
302.48087	0.4
333.20453	1.5
351.25537	0.5
407.76266	0.4
413.17822	12.2
414.18460	0.5
439.19614	0.6
453.21368	1.4
543.36938	1.0
551.28235	5.1
665.35156	1.9
723.39240	100.0
724.39838	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	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01868	15.7
55.05510	23.9
57.03436	18.9
57.07084	3.4
59.04997	1.4
61.02921	5.2
62.01162	0.6
64.74726	0.5
65.03934	1.8
67.05503	36.5
69.03429	7.6
69.07064	9.0
70.04209	1.0
71.01350	1.7
71.04988	3.9
73.02911	7.9
79.05489	27.4
80.06270	1.5
81.03415	25.1
81.07053	24.2
82.04197	7.3
82.07419	0.6
83.04980	14.4
83.05486	1.0
83.08615	11.9
84.02140	2.8
84.05747	1.1
85.02905	7.0
85.06534	1.8
87.04462	1.9
91.03945	1.8
91.05477	24.0
93.07040	21.2
94.04169	1.7
94.07829	1.2
95.04964	23.2
95.08025	0.9
95.08604	11.4
96.05740	1.7
97.02889	7.3
97.06523	9.4
97.09518	0.9
97.10163	20.0
98.07310	8.3
99.04443	1.0
99.08075	1.9
101.06007	1.6
103.03953	0.7
103.05455	0.9
105.04519	1.7
105.07027	10.7
107.04947	7.6
107.08590	16.1
109.02862	1.3
109.06519	5.1
109.10152	13.7
111.04446	2.6
111.08067	5.8
113.06030	1.4
115.03944	0.8
115.05418	1.3
116.04715	17.2
117.07014	5.7
119.08580	12.0
120.09390	1.1
121.06503	3.5
121.10140	7.3
123.04424	1.3
123.08065	7.3
124.08866	0.7
125.06047	0.7
125.09626	23.9
126.10425	0.8
127.03917	1.0
127.11191	2.7
127.25544	0.6
128.06244	0.6
129.05470	40.9
129.06908	5.8
130.07759	0.6
131.08577	6.8
133.06462	1.1
133.10136	8.0
135.08043	3.9
135.11682	7.7
135.67479	0.6
136.08823	1.8
137.05930	0.6
137.09613	4.4
137.13280	0.6
139.07520	1.3
141.06992	0.6
143.07042	10.8
143.10687	1.9
145.06506	0.7
145.10112	7.0
146.10918	0.6
147.08058	3.0
147.11678	6.9
149.09584	4.1
151.11150	1.2
153.09099	2.7
153.12726	3.3
155.10687	1.6
157.08600	18.3
157.10117	7.2
158.05734	2.5
159.11732	0.8
161.09598	0.7
163.11171	10.8
164.11922	1.3
165.12791	1.7
167.07076	0.6
171.06544	1.7
171.10161	8.2
173.09584	2.9
173.11729	4.5
175.11192	4.5
181.12186	3.0
183.06575	0.6
184.07266	1.3
185.08116	1.5
185.11729	2.0
189.11229	10.8
191.10645	3.3
192.11478	1.1
193.12216	6.6
197.96017	0.6
199.09523	0.8
199.13266	10.8
200.14038	3.5
201.14847	0.7
209.11731	9.0
210.12576	3.7
211.09618	1.1
211.13261	3.6
217.14337	2.3
223.13454	0.7
227.12744	19.3
228.13559	1.0
228.31488	0.6
229.14343	5.2
233.15573	0.7
241.14302	0.8
243.15964	0.7
245.13852	0.9
247.13307	1.1
254.15233	0.7
255.15953	2.0
265.14435	1.0
267.15909	14.9
268.16458	1.0
269.17377	0.7
283.15442	12.1
284.16083	2.1
285.16916	1.8
301.16443	100.0
302.16907	2.0
355.17444	1.7
383.20529	1.1
385.23657	0.8
403.24658	0.8
409.25809	0.6
425.25256	1.2
438.26132	1.0
443.26373	3.5
451.26788	1.1
455.26300	7.2
459.27411	5.2
475.27069	1.3
477.28284	7.6
493.27872	5.3
495.29254	1.5
509.26654	3.4
510.28256	5.0
510.76477	0.6
527.28479	61.6
528.28961	2.3
601.11627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01857	2.5
55.05510	8.5
56.03152	0.6
57.03437	10.3
58.62404	0.6
59.04990	0.8
61.02913	0.9
62.84005	0.6
63.33913	0.6
67.05157	1.0
67.05502	14.7
69.03418	2.6
69.07079	3.2
70.70037	0.8
71.04984	2.3
79.05039	1.0
79.05493	16.6
81.03415	70.7
81.07050	15.0
82.03743	0.7
83.04977	6.9
83.08119	1.0
83.08620	18.7
85.02408	0.8
85.02901	11.7
85.06542	0.8
91.05474	18.0
92.42135	0.7
93.07032	10.3
95.04964	23.7
95.08590	6.4
97.02876	2.8
97.06523	2.1
97.10174	4.2
105.07029	14.6
107.04964	5.5
107.08599	5.2
109.06505	4.8
109.09491	0.7
109.10147	2.9
111.04460	1.3
111.08092	6.9
111.68128	0.6
112.07603	0.6
113.05983	1.1
115.05414	1.3
117.07007	2.2
117.90469	0.8
119.04968	0.7
119.08579	12.5
121.06496	2.5
121.10139	7.1
121.65238	0.7
123.08051	1.9
123.11685	0.8
125.09663	3.1
129.07005	9.3
131.04906	0.9
131.08572	8.7
133.06511	3.1
133.10126	5.8
135.08028	1.8
137.09624	1.4
141.06963	0.9
142.07755	2.2
143.08594	1.0
145.06494	3.3
145.10117	1.2
145.32983	0.6
147.07991	3.2
147.11688	10.4
149.09595	4.8
153.09048	0.6
157.06435	0.8
157.10123	10.3
161.05910	0.7
163.11209	1.2
165.12720	2.3
171.08057	0.8
171.11650	1.1
175.11174	11.5
183.08095	0.8
185.09666	1.2
187.11203	1.0
189.11243	1.8
193.12241	29.6
195.11722	0.8
203.14211	0.7
205.12122	1.1
211.11382	0.8
211.13266	13.3
215.14392	0.8
215.27670	0.7
221.13376	0.8
227.12730	1.0
229.14256	1.3
233.15321	1.1
237.12833	1.0
249.14896	1.4
255.13832	2.1
263.82947	0.7
265.49548	0.8
267.15894	100.0
268.16202	2.8
273.14841	3.3
285.16962	13.9
287.16260	0.8
309.16904	0.8
341.21036	1.4
349.21576	2.2
357.24158	0.7
367.22641	10.8
385.23694	9.4
403.24768	2.6
405.24567	0.9
415.24719	0.7
423.25116	0.7
433.25797	14.4
441.26474	7.5
459.27390	71.6
460.27695	2.6
477.28458	43.5
478.28818	2.0
491.30109	1.1
585.30530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
54.46770	0.5
55.01876	2.1
55.05514	11.4
57.03438	6.0
57.07064	1.5
59.04983	1.2
61.02921	4.6
65.03944	1.8
67.05505	63.6
67.43620	0.7
69.03432	3.3
69.07067	7.6
69.77330	2.4
71.04992	48.4
73.02921	1.1
79.05494	19.9
81.03417	2.1
81.07057	100.0
81.34377	0.7
82.07394	1.6
83.04986	6.4
83.08617	9.6
85.02906	4.3
85.06541	11.7
87.04471	1.0
91.03937	1.6
91.05477	34.5
92.05782	0.7
93.07043	21.4
93.07600	1.3
95.04951	3.5
95.08611	11.2
97.02885	2.6
97.06541	6.4
97.10161	2.2
99.04465	0.8
99.08075	1.6
105.04536	0.9
105.07026	14.3
107.05001	0.8
107.08592	15.6
109.06547	2.2
109.10156	13.0
111.08087	2.3
117.06980	4.2
119.08593	2.4
121.10141	6.9
123.10999	0.4
123.11704	22.0
125.09660	2.4
131.08563	5.9
133.10126	28.7
134.10497	0.7
135.08076	0.8
135.11694	5.3
139.11235	0.6
145.10150	1.1
145.12883	0.6
147.11661	1.0
149.09673	0.8
149.13264	7.7
151.11179	13.7
155.10681	0.8
159.11671	7.3
160.12192	0.7
161.13310	0.9
163.11285	0.7
165.12744	0.8
169.12216	1.7
173.11792	1.5
177.12743	3.8
183.13809	8.1
187.13293	5.8
195.13770	4.1
201.14868	1.1
205.94688	0.7
225.14882	1.9
227.12892	0.8
229.14305	1.2
243.15952	2.4
257.17365	3.5
269.17453	6.2
285.16989	1.5
301.16635	1.2
301.20071	18.0
393.26343	0.7
397.25916	5.7
423.27087	1.5
425.28964	5.4
437.28781	4.0
440.65298	0.7
451.30795	5.6
455.30249	0.9
463.30591	6.4
469.31702	55.6
470.32190	2.1
478.38297	0.8
483.33197	7.2
489.98898	0.7
495.33209	45.2
496.33417	2.0
497.35007	0.7
522.95642	0.7
527.35944	47.5
528.36096	2.6
639.36823	1.6
671.39056	0.8
724.39673	17.7
725.37054	1.0
727.52466	0.8
742.02911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03939	1.4
55.01870	0.8
55.05256	0.6
55.05510	10.5
56.11095	0.4
57.03438	4.6
57.07070	1.9
59.04995	1.6
61.02921	4.2
65.03934	2.0
67.05502	59.6
68.05846	0.8
69.03424	2.8
69.07063	7.2
71.04989	49.4
71.08615	0.6
73.02895	0.7
73.06561	0.9
75.04494	0.7
79.05489	18.7
81.03422	1.2
81.07052	100.0
82.07397	1.6
83.04979	6.2
83.08616	8.9
85.02898	3.0
85.03354	0.5
85.06538	12.1
87.04469	0.7
91.03959	0.9
91.05476	32.2
93.07041	21.9
95.04974	3.3
95.08598	9.7
97.02905	1.7
97.06527	7.9
97.10172	1.9
98.06861	0.5
98.23442	1.0
99.04486	0.5
99.08102	1.7
101.06018	0.5
101.15521	0.4
105.04520	0.9
105.07023	13.8
107.04964	0.6
107.08587	16.5
109.06519	2.7
109.10155	7.9
111.08091	3.5
113.06013	0.6
117.07000	3.8
119.08590	1.4
121.06516	0.8
121.10138	6.7
123.08100	1.2
123.11702	22.5
125.09628	1.3
127.03889	0.8
127.07462	0.4
129.07051	0.4
131.08549	5.0
133.10123	30.6
134.10484	1.0
135.08018	1.3
135.11690	6.1
137.09589	0.5
139.11133	0.5
147.11667	0.7
149.09612	1.0
149.13246	10.3
151.11172	15.0
157.10191	0.5
159.11713	7.4
165.12704	0.5
169.12273	2.2
175.11208	0.5
177.12723	3.6
179.14311	0.7
183.13800	9.1
187.13277	5.8
195.13782	3.9
201.14865	1.6
213.14755	0.6
225.14905	2.8
227.16479	0.9
243.15926	1.1
251.16429	0.6
253.17941	0.5
255.15979	0.7
257.17456	3.4
269.17499	4.8
271.15390	1.3
283.19070	1.4
285.17014	1.0
301.20044	20.7
302.20407	0.8
330.63943	0.4
349.19666	0.5
393.26508	0.7
397.25931	1.0
425.28931	5.9
426.29132	0.9
437.29016	4.3
451.30539	8.0
452.30725	0.7
463.30453	8.0
464.30774	0.9
469.31604	72.3
470.32086	4.2
477.32486	0.9
481.93454	0.5
483.33167	7.3
495.33148	52.0
496.33359	3.6
527.35760	59.7
528.36316	4.3
607.35034	1.1
613.35571	0.9
639.37360	2.1
671.40240	0.6
724.39258	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	725.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69371	0.3
53.03962	0.5
55.01869	0.5
55.05513	3.9
56.05855	0.4
57.03442	2.8
59.05002	2.9
61.02926	3.4
61.82193	0.3
64.18736	0.3
65.03959	0.4
67.05505	9.8
68.05838	1.2
69.03436	1.7
69.07059	1.9
71.01344	0.4
71.04990	2.2
71.19622	0.4
72.05332	0.5
73.02909	2.0
79.05495	6.0
80.05843	0.7
81.03423	3.8
81.06570	0.5
81.07056	10.6
82.07375	0.7
83.04995	1.5
83.08625	2.7
85.02908	3.5
85.06552	0.8
87.04470	3.1
91.03937	2.2
91.05477	5.6
92.05829	0.5
93.07047	6.9
93.07600	0.5
94.07385	0.6
95.04957	2.6
95.08612	3.0
97.02363	0.4
97.02883	2.2
97.06536	1.5
97.10178	0.9
99.04462	1.3
101.02399	1.1
102.32822	0.3
103.03981	0.5
105.07027	2.2
107.04984	0.8
107.08593	4.1
108.08936	0.6
109.02888	0.6
109.06530	0.7
109.10151	5.1
110.10495	1.2
111.04450	0.4
111.08099	1.2
112.18134	0.3
117.06999	0.8
119.08595	2.0
121.06496	0.3
121.10147	1.9
121.10876	0.3
122.10467	0.4
123.08090	0.6
123.11739	0.6
125.09646	0.8
127.03941	1.1
129.05472	0.4
129.07050	1.2
131.08556	1.7
133.10136	1.5
134.10391	0.4
135.08209	0.3
135.11729	1.2
143.08582	0.4
145.10132	0.4
147.11702	2.2
149.09647	1.6
149.13272	2.1
150.13623	0.7
151.11200	0.6
157.10139	0.8
159.11708	1.1
161.09682	0.3
163.11220	0.4
171.11757	0.8
173.11810	1.1
175.11177	0.6
177.12808	0.8
187.13370	0.4
193.12311	1.4
195.13875	1.1
199.13293	0.4
200.13791	0.4
211.13322	0.7
225.14885	0.6
227.12720	0.6
227.65472	0.3
229.14328	3.8
230.14706	2.0
243.08371	1.6
247.13177	1.0
267.16025	1.1
269.17450	5.3
270.17801	3.1
283.15155	2.9
315.18182	0.5
339.17810	1.1
386.46240	0.4
412.27756	0.5
423.27448	4.6
424.27747	8.5
424.33273	0.5
451.26608	0.5
465.20987	7.2
465.27161	0.6
470.31958	0.5
501.23007	11.0
502.22595	0.4
510.31567	1.1
528.36084	0.4
563.31732	0.5
725.37140	100.0
726.37671	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	726.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01870	0.8
55.05506	1.5
57.03435	0.9
65.03944	0.6
67.01877	0.4
67.05503	18.3
68.05799	0.2
69.03431	8.6
69.07061	0.5
71.01370	0.4
71.04992	1.5
71.22620	0.2
73.02921	0.6
79.05494	2.0
79.45381	0.2
81.03417	28.5
81.07054	10.1
83.01376	0.2
83.04986	0.8
85.02902	5.2
85.06528	0.3
91.05477	1.6
93.07042	3.1
95.04410	0.3
95.04970	3.6
95.08606	6.3
95.12043	0.2
97.02895	4.6
97.06536	0.5
99.04454	4.3
99.08108	0.5
105.07021	0.6
107.04980	0.3
107.07906	0.3
107.08597	2.5
109.02877	24.7
109.06521	1.7
109.10153	47.3
110.10477	0.7
111.04439	1.9
117.07009	0.4
119.08568	3.0
121.02864	0.4
121.06544	0.3
121.10148	1.0
123.04423	0.7
125.02361	0.4
125.05978	1.9
127.03914	18.2
127.07480	0.2
128.04250	0.3
135.04311	0.3
135.08020	0.8
137.09612	100.0
138.09959	1.5
139.03879	0.3
145.04955	0.5
147.08073	1.0
151.03893	0.5
155.10672	6.6
161.05933	0.4
163.07567	0.5
165.09108	79.9
166.09485	1.5
173.04437	0.3
175.03926	0.2
183.10153	8.1
189.05507	0.7
193.04944	0.5
197.03110	0.2
199.11206	0.3
201.05489	0.6
201.11217	13.6
202.11588	0.3
205.04973	0.3
207.06526	0.3
217.04939	0.9
217.12088	0.2
219.06596	0.5
219.12381	0.3
225.11220	1.4
235.05971	1.7
243.12253	0.6
245.11739	0.6
253.07077	1.2
255.12192	0.5
263.12781	1.2
267.12125	0.3
271.07959	0.3
273.11047	0.5
281.13812	0.6
285.13345	0.4
291.12259	4.1
309.13309	17.7
310.13696	0.5
327.14365	30.3
328.14615	1.2
345.15335	1.2
351.14218	0.4
355.13959	0.9
364.43118	0.2
369.15466	2.2
387.16583	0.5
389.15973	0.3
399.16245	0.4
404.88791	0.2
417.15237	1.1
429.17447	0.3
435.10547	0.4
435.16486	6.1
444.04108	0.2
453.17538	17.4
454.17755	0.7
471.18600	17.8
472.18945	0.6
489.19702	4.1
563.20734	0.4
726.20135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.77527	0.7
55.01873	1.6
55.05508	17.7
57.03437	13.7
57.07067	3.3
61.02919	5.0
65.03938	3.8
67.05503	77.7
67.10535	0.9
69.03432	2.3
69.07068	23.3
69.07442	1.2
71.04987	3.5
71.08623	1.0
73.02917	1.3
77.03901	1.3
79.05492	50.1
81.03418	2.0
81.07055	100.0
82.07360	1.3
83.04977	6.2
83.08613	16.9
85.02893	5.9
85.06535	4.6
91.03960	2.3
91.05033	0.5
91.05479	28.8
93.07042	65.7
94.50111	0.9
95.04972	7.6
95.08605	43.8
97.02913	2.6
97.06531	9.5
97.10162	3.9
99.08106	1.8
105.04520	2.0
105.07020	14.3
107.04986	1.1
107.08589	41.0
109.06516	3.1
109.10155	17.7
111.08081	5.3
117.07018	10.9
119.06078	1.1
119.08573	11.7
121.06496	2.0
121.10139	26.7
123.08116	1.6
123.11700	9.3
125.09618	1.1
127.03954	1.4
131.08563	13.4
133.10129	19.7
135.08093	1.4
135.11694	19.6
137.13249	1.3
145.10106	6.4
147.11658	6.8
149.13248	20.8
151.11244	1.6
159.11681	12.0
161.13223	2.6
163.14917	1.6
173.13274	3.5
175.14899	1.3
177.12787	3.6
187.14752	2.1
195.13823	9.8
213.14842	1.2
218.00276	0.7
243.21078	2.8
251.86209	0.8
261.22162	7.9
267.15878	1.3
269.17465	64.1
270.17938	2.2
285.99280	0.8
317.24783	2.0
335.25790	64.9
336.26010	3.1
355.43643	1.0
364.06848	0.9
365.70004	0.9
437.34247	2.0
455.34628	1.6
473.36578	1.1
529.38879	73.0
530.39185	5.2
547.39502	1.5
658.26044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01858	2.2
55.05510	16.4
56.14603	0.8
57.03186	1.2
57.03440	16.4
57.07071	3.5
57.95249	0.8
58.23152	0.6
61.02922	3.3
65.03939	2.6
67.05504	68.4
67.65665	0.8
68.05829	0.8
69.03419	1.8
69.07066	20.6
69.07445	1.0
69.33109	1.8
69.33514	3.2
71.04988	4.1
72.85760	0.7
73.02920	1.5
77.03900	1.8
79.05492	43.6
81.03423	1.8
81.07056	76.7
83.04987	5.9
83.08620	11.9
85.02914	2.9
85.06544	3.8
91.03980	1.6
91.05479	22.9
93.07043	62.1
95.04966	6.4
95.08604	35.0
95.09220	1.7
97.02866	2.1
97.06536	8.2
97.10169	2.3
99.08083	2.3
105.04526	2.1
105.07031	11.5
107.08588	30.1
107.12099	0.8
109.06519	2.5
109.10148	10.7
111.08063	3.8
111.11698	0.8
113.05994	1.7
117.07018	7.8
118.76871	0.7
119.08575	7.3
121.10143	25.1
123.11682	4.2
125.09612	0.8
131.08569	12.2
133.10144	7.3
135.08032	1.3
135.11699	11.4
139.11201	1.1
145.10121	4.0
146.25394	0.9
147.11674	4.8
149.13249	22.7
159.11691	11.7
161.13225	2.4
163.14717	0.9
167.03218	0.8
171.11562	0.8
173.13263	2.7
177.12740	3.9
187.14792	1.2
195.13824	8.6
213.14806	1.8
243.21071	2.2
261.22131	9.4
267.15927	1.9
269.17468	100.0
270.17722	2.5
317.24747	2.7
335.25806	59.9
336.26175	2.0
390.64844	0.8
437.33981	1.9
511.37497	1.0
529.38879	96.0
530.39099	8.0
547.39734	2.4
726.44470	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	727.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05510	1.9
57.03439	2.8
59.04998	0.7
61.02926	4.4
67.05508	4.2
68.05836	0.6
69.03433	3.1
69.07066	1.2
71.01358	0.6
71.04994	1.9
73.02914	2.5
73.76068	0.4
75.62194	0.4
79.05489	3.4
81.03420	6.5
81.03848	0.7
81.07058	6.2
81.07505	0.7
82.03734	0.6
83.04978	1.2
83.08625	1.6
85.02907	4.3
85.06544	0.6
86.09704	1.0
87.04507	0.7
91.03951	1.9
91.05473	4.2
92.05868	0.4
93.07040	3.9
95.04958	2.8
95.08609	3.0
97.02904	4.1
97.06524	0.8
97.10162	0.6
99.04461	0.9
101.02395	1.8
103.03976	0.6
105.07046	2.9
107.04960	1.4
107.08561	2.5
109.02856	0.7
109.06553	1.4
109.10187	0.9
111.04494	0.5
111.08080	0.8
117.07037	1.0
119.08588	2.4
121.06490	0.5
121.10154	2.4
123.08118	0.6
125.50438	0.4
127.03941	1.3
129.07008	1.3
131.08582	1.5
133.06523	0.5
133.10159	1.7
135.11670	2.8
145.10138	1.8
147.08083	0.5
147.11722	1.8
149.09625	2.4
157.10156	1.0
163.11234	3.7
165.12833	0.5
175.11230	1.0
181.12273	0.6
184.07332	2.5
193.12263	2.2
203.05310	0.5
209.11787	0.5
211.13374	0.6
219.09856	0.6
227.12782	2.8
238.04608	0.5
243.08432	3.6
249.10983	7.6
266.44009	0.4
267.15985	1.4
268.16266	0.6
281.13611	1.0
283.15060	2.4
286.14478	0.5
300.89676	0.4
305.13727	1.7
339.17935	1.1
435.27798	0.6
436.28195	0.8
447.27441	0.8
448.28125	0.8
461.29105	2.2
462.29236	3.0
467.18921	13.4
468.19186	0.6
469.20517	2.2
499.21390	0.7
501.23068	15.3
502.23590	0.7
565.29926	1.0
695.32385	0.7
727.35065	100.0
728.35120	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	727.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.05519	1.6
57.03446	1.8
59.05005	0.9
61.02937	4.0
67.05521	4.2
69.03452	1.9
69.07096	0.8
70.70277	0.4
71.01385	0.5
71.05001	1.5
73.02928	2.6
79.05505	3.3
81.03430	5.0
81.07070	3.5
82.03774	0.4
82.07409	0.3
83.01368	0.5
83.05006	1.3
83.08643	1.7
85.02915	4.8
85.06580	0.5
86.09710	1.0
87.04534	0.4
88.48305	0.4
91.03957	2.1
91.05482	3.3
93.07052	3.4
95.04982	1.9
95.08635	1.4
97.02901	3.6
97.06555	0.8
98.23104	0.6
99.04480	1.3
101.02408	1.5
103.04015	0.5
105.07034	2.3
107.04987	1.4
107.08617	2.2
109.02859	0.8
109.06570	1.0
109.10200	1.1
111.04474	0.8
111.08073	0.8
115.14317	0.4
117.07051	0.6
119.08617	1.6
121.06494	0.7
121.10128	1.7
123.08072	0.7
125.00029	0.8
127.03954	1.2
129.07025	0.7
131.08621	1.6
133.10184	1.4
135.11723	1.4
137.09654	0.6
145.10199	1.4
147.11722	1.8
149.09683	1.2
157.10170	0.8
163.11205	1.9
175.11301	1.0
184.07396	4.1
185.04309	0.6
185.07785	0.6
193.12347	1.5
209.11992	0.5
225.15019	0.6
243.08362	2.6
249.11049	0.4
267.16028	1.3
283.15149	3.6
299.35571	0.4
331.72073	0.3
339.18060	0.9
390.28336	0.3
415.10141	0.4
422.26389	0.4
447.27417	1.9
447.83026	0.4
448.27936	3.3
462.29208	0.8
467.18903	7.4
480.30194	0.4
495.29694	0.4
501.23163	8.1
502.23212	0.7
565.29315	0.8
677.39111	0.5
695.32629	0.7
727.35242	100.0
728.35834	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	728.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99435	0.8
53.03948	2.3
55.01875	3.9
55.05513	11.1
56.21521	0.8
57.03434	9.3
57.15611	0.8
61.02923	2.1
63.11058	0.8
67.05508	23.4
68.05839	1.5
69.03445	4.2
69.07072	11.4
69.64810	0.8
70.06596	1.5
71.01375	0.9
71.05004	3.9
72.17555	0.9
73.02923	1.6
79.05498	20.7
79.12169	0.8
80.05846	1.4
81.03417	61.7
81.07056	17.3
81.69095	0.9
82.03765	1.6
83.04975	5.2
83.08615	11.0
85.02897	5.2
85.06546	1.2
87.04472	1.0
91.03955	1.3
91.05483	20.8
92.05827	1.1
93.07050	20.6
95.04974	18.4
95.08601	7.5
96.05321	1.5
97.02902	4.8
97.06538	7.2
97.10176	8.5
98.10519	1.1
98.23540	1.5
105.04480	1.4
105.07025	10.5
107.04954	13.5
107.08600	9.8
108.05303	1.7
109.02883	1.5
109.06522	7.2
109.09462	1.4
109.10142	8.2
110.10523	1.0
111.04436	2.1
111.08099	4.1
113.05979	1.5
115.05489	1.9
117.07014	7.6
119.04856	1.1
119.08584	23.3
121.06503	7.9
121.10133	8.0
123.04465	1.7
123.08101	3.0
123.11652	1.3
125.06049	2.6
125.09624	7.7
126.09995	0.9
128.06279	1.0
129.07016	6.8
131.04865	1.7
131.08557	6.9
133.06511	2.8
133.10172	5.1
135.08051	5.3
135.11710	3.1
137.09624	8.0
139.07571	1.0
139.33977	0.8
141.07024	2.5
142.07822	1.1
143.07062	5.8
143.08488	2.4
145.06499	3.8
145.10097	4.6
147.04370	1.8
147.08057	8.6
147.11684	5.1
149.05980	1.0
149.09621	6.4
151.07590	0.9
151.11212	1.5
153.09157	2.6
153.83557	1.1
155.08554	1.5
157.06592	1.3
157.08969	1.3
157.10121	6.1
158.92155	1.0
159.08112	1.1
159.11736	3.1
161.05905	1.1
161.08249	1.0
161.09630	3.2
163.07504	1.3
163.11182	6.3
165.09132	7.3
165.12743	1.6
169.10176	2.5
171.08141	1.7
171.10233	1.1
171.11656	1.6
173.09634	1.6
173.11755	2.0
175.07617	1.6
175.11183	4.7
177.09105	1.9
177.12822	1.2
183.08104	1.5
185.09612	2.7
187.11220	2.9
189.09129	2.8
189.11214	3.6
189.12769	1.5
191.10739	3.8
193.12267	14.1
194.12598	2.1
195.11725	1.6
197.09587	2.0
197.13319	1.0
199.09581	0.9
199.11275	2.1
199.13234	1.0
201.12770	1.1
203.10742	1.5
205.12190	2.2
209.09727	1.8
209.11620	1.5
211.11308	1.8
211.13341	4.8
212.13658	2.8
215.44838	1.0
219.13832	2.1
223.11238	1.1
227.10635	5.1
227.12764	2.6
229.12292	1.4
229.14435	3.0
230.14705	1.2
231.10159	1.1
231.13713	0.9
233.15282	2.4
235.13321	1.6
237.12778	1.8
239.12770	18.2
239.15012	1.4
249.14879	1.4
255.13857	1.0
259.13290	1.6
261.14752	1.6
267.15918	19.5
268.16226	1.8
269.16528	1.0
273.14856	2.3
283.15643	1.0
285.09967	1.1
285.16919	2.9
286.17264	1.7
287.17880	1.0
301.16632	1.3
303.17117	1.6
311.20032	5.8
321.18542	5.0
323.25723	1.1
329.21140	7.3
333.24106	2.2
339.19513	16.7
351.25500	0.9
357.20618	12.8
375.21771	3.8
385.23883	1.2
413.23288	7.1
430.44110	1.1
431.24292	100.0
432.24728	5.7
439.27222	1.0
440.27219	1.2
441.27829	2.1
445.25873	1.5
449.25369	79.1
450.25702	4.9
459.27396	3.7
463.26898	19.2
464.27264	1.2
469.20715	1.6
473.25171	2.3
477.28293	6.3
481.27881	4.4
495.28790	2.6
513.30170	4.1
527.25983	1.3
539.26630	1.2
696.41431	1.3
711.32007	1.2
728.31549	2.1
729.32745	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	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74870	0.2
55.01881	0.2
55.05496	0.9
56.05022	0.6
57.03430	0.5
58.06615	0.5
60.08166	6.1
67.05507	1.9
69.03396	0.2
69.07061	0.8
71.07378	2.9
71.08655	0.3
79.05496	1.7
81.03418	0.6
81.07061	1.9
83.04957	0.3
83.08626	0.6
85.06557	0.3
86.09708	28.8
91.05511	1.5
93.07047	1.5
95.04952	0.8
95.08591	0.7
97.06532	0.4
98.98465	3.1
99.08134	0.4
104.10745	2.1
105.07023	0.9
106.33972	0.3
107.08590	1.0
109.10146	0.7
117.07030	0.3
119.08562	0.8
121.10129	0.7
123.11728	0.3
125.00004	19.2
125.09572	0.2
131.08600	0.5
133.10107	1.1
135.11707	0.4
145.10129	0.5
147.11700	0.5
149.13219	0.3
163.11226	0.3
165.09206	0.3
171.71584	0.2
184.07343	100.0
185.07663	1.0
193.12257	0.3
211.13290	0.6
215.17929	0.5
233.19019	0.3
255.15817	0.4
285.17209	0.5
299.14917	1.0
307.22632	1.6
435.81125	0.2
474.44873	0.2
513.35785	0.4
517.35181	0.5
531.36041	1.4
534.76294	0.3
552.16504	0.3
710.43317	0.3
728.45044	6.3
729.45612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48158	0.4
53.03940	0.8
55.01872	3.9
55.05510	6.4
57.03177	0.5
57.03436	5.2
57.07058	1.3
61.02913	1.6
65.03929	1.7
67.05502	34.1
68.05822	0.6
69.03439	2.1
69.06712	0.5
69.07067	8.5
69.08389	2.7
71.05000	3.2
71.08597	0.6
73.02917	1.0
75.78459	0.3
77.03909	0.5
79.05490	16.2
81.03423	2.5
81.07053	33.9
82.07371	0.5
83.04982	3.6
83.08614	3.4
85.02911	1.9
85.06539	3.8
86.09712	1.0
91.03944	0.7
91.05476	23.1
93.07043	21.0
95.04980	4.1
95.08605	13.9
97.02875	0.4
97.06534	2.2
97.10172	1.0
99.04459	1.2
99.08071	1.1
101.06018	0.4
105.07025	19.5
107.04949	0.9
107.08589	23.7
109.06513	3.5
109.10152	36.1
110.10465	0.5
111.08057	1.3
113.05990	1.6
117.07010	2.5
119.08557	4.5
121.10143	7.0
123.08028	1.0
123.11708	7.8
125.09612	0.9
127.07566	2.2
129.05495	0.4
131.08566	3.7
133.10124	45.8
134.10457	1.2
135.11696	5.0
137.09599	0.6
137.13206	0.6
143.08565	0.8
145.10164	2.6
147.11653	2.0
149.09573	0.7
149.13237	2.3
151.11172	21.1
157.10118	0.6
159.11705	2.1
161.09631	1.5
161.13222	2.4
163.11256	0.9
163.14803	1.0
169.12228	3.9
173.11807	0.5
173.13232	1.7
175.14853	0.6
177.16318	0.6
179.10687	1.2
184.07281	1.5
187.14822	1.1
206.06218	0.4
215.12849	1.9
227.12689	0.7
243.21051	2.5
253.14336	100.0
254.14691	3.1
261.19757	0.4
261.22131	11.9
271.15378	30.9
272.15732	0.5
279.23141	0.8
297.16681	0.6
309.24149	0.5
317.24725	1.2
323.25650	1.2
335.25793	27.4
336.26169	1.3
339.87292	0.4
341.16519	0.4
412.99527	0.4
439.31921	1.7
457.33023	1.2
513.35773	8.2
531.36804	33.1
532.37012	2.7
539.38739	0.4
549.37744	0.9
669.36835	0.7
680.15771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21474	0.4
53.03943	0.8
55.01875	3.0
55.02095	0.5
55.05262	0.6
55.05509	6.1
56.80531	0.4
57.03440	5.4
57.07072	1.1
61.02919	1.4
62.76113	0.4
65.03938	1.4
67.05505	33.3
69.03432	2.4
69.07070	9.8
71.04993	2.9
71.08624	0.5
73.02961	0.5
79.05039	0.8
79.05493	15.2
79.32973	0.5
81.03411	1.3
81.07055	32.9
82.07403	0.4
83.04980	4.5
83.08620	2.9
85.02895	2.2
85.06544	3.1
86.09694	1.1
91.05479	23.2
93.06447	1.0
93.07041	18.7
95.04965	3.0
95.08023	0.8
95.08611	14.2
97.02849	0.5
97.06516	2.1
97.10181	0.6
99.04433	1.3
99.08083	1.0
101.05984	0.4
105.04538	0.7
105.07033	19.3
106.07335	0.7
107.04988	0.7
107.08594	22.6
109.06519	3.1
109.10156	32.8
110.10511	0.7
111.08089	0.8
113.05993	1.7
117.07003	2.0
119.08562	4.8
119.77858	0.4
121.10143	6.0
123.08090	1.2
123.11689	7.3
124.99976	0.6
125.09618	0.8
127.07568	2.2
131.08571	4.2
133.10129	39.7
134.10469	0.7
135.08025	0.5
135.11696	4.3
137.09619	0.8
137.13213	0.6
143.08571	0.7
145.10097	2.3
147.11732	2.4
149.13255	2.0
151.11179	20.5
152.11482	0.7
159.11662	1.6
161.09685	2.0
161.13232	1.3
163.14812	1.4
166.20526	0.5
169.12221	4.1
173.13272	1.8
175.14787	0.7
179.10612	0.7
184.07341	1.8
195.13855	0.4
215.12772	2.2
243.21075	1.9
253.14348	100.0
254.14636	3.1
261.22137	10.3
262.22363	0.7
271.15405	27.3
279.23068	0.8
317.24783	1.8
335.25797	45.3
336.26132	1.8
366.74615	0.5
439.32190	0.9
457.33078	1.9
497.30786	0.5
503.37845	0.6
513.35815	6.8
514.36053	0.5
531.36829	49.1
532.37091	3.5
539.39636	0.9
545.37720	0.6
549.37292	0.8
669.37109	1.6
728.43646	1.2
729.44458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04215	1.2
53.03944	2.6
55.01879	3.1
55.05508	24.1
57.03433	19.1
57.07069	5.6
61.02910	3.1
65.03937	3.9
67.05502	77.1
69.03403	1.8
69.07072	20.7
71.01335	3.6
71.04984	6.1
71.08606	1.3
71.19056	1.3
74.74306	1.3
77.03922	3.0
78.03902	1.1
79.05490	76.9
80.05818	1.2
81.03432	8.6
81.07053	53.9
83.04978	11.9
83.08614	9.3
85.02905	5.3
85.06532	4.2
86.09698	5.4
91.03950	2.7
91.05479	67.4
93.07042	93.1
95.04973	10.7
95.08601	28.7
97.02891	2.8
97.06532	12.8
97.10165	11.3
98.22717	2.9
99.08080	3.8
105.04486	3.1
105.07029	68.9
106.07352	1.8
107.04948	3.4
107.08590	56.0
109.06545	3.1
109.10167	16.7
111.08056	4.2
113.09621	2.1
115.05425	1.5
117.07012	19.8
119.08579	58.6
121.06493	1.3
121.10152	23.9
123.08018	2.3
123.11694	4.3
124.99987	2.6
125.09621	2.8
128.06200	2.5
129.05501	1.2
129.06993	10.4
130.07747	1.7
131.08559	22.2
133.10127	57.3
133.11148	2.8
135.08064	3.4
135.11691	58.4
136.12033	2.1
137.09630	4.1
137.13293	1.6
139.11229	1.3
143.08525	11.0
145.10118	29.6
147.11679	44.6
149.09608	2.8
149.13248	9.9
151.11183	4.7
155.08554	2.0
157.10117	8.8
159.11697	21.8
161.13255	30.3
163.11217	9.5
163.14769	2.7
169.10100	1.5
170.35616	1.6
171.11690	13.1
173.13240	12.7
175.11127	2.2
175.14835	9.2
177.12715	1.8
181.12247	13.9
183.11656	2.8
184.07343	16.4
185.13281	12.5
187.14806	4.3
199.13184	1.8
199.14763	6.0
201.16338	2.2
213.16402	3.8
215.17932	2.8
217.15858	1.6
231.17650	1.6
231.21040	8.0
233.18935	1.6
241.19504	32.3
241.21886	2.9
243.21011	1.5
253.14368	14.3
255.15895	92.6
256.16238	2.9
257.18945	3.7
259.20578	100.0
260.20993	2.4
261.22116	2.7
269.17447	1.6
271.15518	2.9
275.20239	1.7
277.21640	2.3
297.22073	1.5
297.68161	1.3
307.22748	2.2
315.23141	7.9
331.22659	1.7
333.24213	48.8
341.14404	1.8
349.23898	1.5
351.24802	1.4
403.30130	2.5
421.30936	6.6
439.32022	5.7
457.33017	3.1
495.34537	3.6
503.37549	2.6
513.35754	81.0
514.35925	5.9
531.36932	25.7
675.41223	1.5
729.38116	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44947	0.3
72.63219	0.2
82.77401	0.2
94.93018	2.1
98.97560	0.4
136.94031	14.3
138.76424	0.3
148.94052	2.0
151.01532	0.3
166.95114	2.9
196.96150	1.0
206.90810	0.3
206.98216	15.3
207.98495	0.5
220.81569	0.3
256.98233	1.7
268.98273	2.4
296.97723	0.3
303.01431	0.5
381.07785	0.9
387.04556	100.0
388.04861	2.9
447.05667	0.4
654.99683	0.3
738.98181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05508	1.2
56.96567	1.9
57.03437	1.7
61.02934	4.2
67.05505	3.3
69.03437	2.0
73.02933	1.4
79.05479	1.9
81.07068	2.3
82.07416	0.9
83.04995	1.1
83.08610	1.8
85.02898	3.6
87.04469	1.1
91.03988	2.4
91.05478	3.0
93.07037	2.5
95.04971	1.4
95.08587	1.9
97.02905	3.4
98.23534	2.1
98.33283	1.0
101.02413	1.8
105.07018	2.1
107.08628	1.0
111.81383	0.9
119.08604	2.0
121.10168	1.1
121.23819	1.0
129.06956	1.2
131.00221	1.1
133.10097	1.3
147.07950	0.9
149.09613	2.6
157.10109	1.3
175.11208	1.7
193.12294	2.7
216.71666	1.1
243.08702	2.9
251.12657	1.4
267.09219	3.0
283.08569	1.4
283.15143	3.7
285.10056	2.6
293.05408	1.3
299.19501	1.2
389.08206	1.1
401.15598	2.1
411.13806	1.6
457.18192	1.1
469.20349	11.2
485.17688	2.7
501.16595	2.1
501.23007	8.3
513.22681	1.0
544.19379	5.7
557.19855	2.0
582.01611	1.1
591.67108	1.0
611.27631	1.1
627.27594	3.7
628.28479	5.1
639.28906	1.6
669.29468	1.1
683.31866	1.9
697.33752	1.9
711.31085	1.3
712.31360	1.5
729.31348	100.0
730.30304	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	729.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05500	1.2
57.03451	2.8
57.07069	1.1
60.72935	0.6
61.02923	5.3
67.05507	3.3
67.06071	0.6
69.03432	2.8
69.07065	0.8
71.05000	1.0
73.02914	3.6
79.05500	3.1
81.68982	0.5
83.01086	1.7
83.04992	1.6
83.08595	0.9
84.01881	1.9
85.02905	5.3
87.04452	1.0
90.41709	0.6
91.03961	4.3
91.05476	2.2
93.07021	2.0
95.01077	2.0
95.04953	1.1
95.08598	0.8
96.01865	1.3
97.02895	5.3
97.10170	1.3
98.23531	1.2
99.04450	1.1
101.02366	1.9
105.07026	1.3
107.08569	1.7
109.02856	1.7
109.06618	0.7
109.10137	1.5
115.03940	1.3
117.05493	0.9
117.07043	0.6
119.08513	1.1
121.02624	1.5
121.10152	1.6
123.04173	1.6
123.08086	0.7
125.02084	0.8
125.09627	0.6
127.03911	2.0
128.04460	0.6
129.05478	3.1
131.08560	0.8
133.10159	0.8
135.08081	0.6
138.02916	0.7
141.05254	0.7
143.07062	0.7
145.04970	1.1
145.10234	0.8
149.09651	0.8
156.03970	0.9
157.04729	1.4
157.08531	0.7
163.11223	0.9
167.03168	1.5
181.04762	1.7
183.02611	0.8
184.03419	1.9
185.04185	7.4
191.10539	0.8
199.05792	0.6
199.13260	0.6
201.03693	5.1
201.14844	0.9
203.05284	1.1
209.11571	0.7
211.05751	0.8
221.07973	0.9
221.11499	0.9
227.05333	0.9
229.14349	0.6
239.05185	1.0
241.06866	1.2
243.08366	7.6
249.11006	2.0
251.12488	1.6
259.07962	0.9
263.12506	0.8
267.11993	0.8
271.34995	0.6
277.13947	0.8
278.49313	0.5
283.15277	1.6
286.11679	0.6
293.13586	1.6
300.08038	0.7
301.08917	19.7
307.15128	1.3
313.08829	3.4
315.10538	5.6
317.08569	1.0
319.09937	0.9
327.10358	1.6
327.14169	1.0
329.12018	1.4
335.15109	0.5
341.11960	2.8
343.13721	1.3
355.13602	1.3
357.15240	1.3
365.15714	1.0
373.10995	6.1
383.16794	3.9
385.11050	1.3
385.18314	13.2
387.12631	1.3
389.10550	1.0
399.12183	0.7
401.17896	2.4
411.16306	0.8
413.18353	1.3
415.15891	1.2
423.19748	0.9
427.15909	0.7
439.19589	1.1
443.19116	1.4
449.24963	1.2
455.18768	3.0
457.20306	2.6
467.19016	4.5
469.20502	5.9
471.21786	0.6
473.19821	2.0
483.22156	1.2
485.18954	2.8
487.82538	0.6
499.21365	1.9
501.23376	2.9
502.23917	0.7
511.21494	2.0
527.21014	16.0
527.28711	1.0
528.20825	1.1
541.22186	0.7
543.27094	0.6
555.27655	0.8
557.22131	1.7
571.23560	1.0
585.25226	1.0
596.31506	5.1
611.30383	11.1
627.29633	2.7
657.29559	1.5
667.32922	1.7
669.30188	1.1
683.32397	0.9
695.31976	1.8
711.32239	1.2
729.33527	100.0
730.33466	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	729.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32064	0.4
55.05515	0.4
56.96569	0.9
61.02939	1.0
61.12646	0.4
67.05508	2.0
69.07094	0.7
71.04999	0.7
73.02933	0.6
79.05478	0.7
79.67904	0.4
81.07066	1.9
81.34236	0.4
82.19405	0.4
85.02910	1.3
85.39683	0.4
91.03974	0.6
91.05482	1.0
93.07056	0.8
95.08595	0.5
97.02902	1.1
98.23478	0.7
109.10168	0.5
122.19688	0.4
133.30731	0.4
189.74161	0.4
243.08606	0.7
267.08914	3.3
267.15652	0.6
269.10522	2.5
285.10217	2.2
287.11771	0.9
293.05484	0.6
301.09055	1.4
311.11609	0.8
373.10977	0.7
385.18286	0.8
401.13800	0.5
413.18094	0.7
415.15997	0.4
453.21021	0.7
469.18256	0.7
485.16946	2.5
485.23679	3.8
487.18689	2.2
501.23068	0.9
501.30856	0.4
509.83649	0.4
513.22961	0.5
552.61255	0.5
557.25604	1.3
625.31866	5.6
651.33466	1.3
661.29193	0.6
679.30078	0.9
711.35083	0.5
729.34747	100.0
730.34991	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	729.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.03439	0.7
61.02924	1.5
67.05512	2.2
69.03426	0.8
69.07056	0.7
70.14818	0.7
71.04993	1.2
73.02918	1.0
79.05495	1.2
81.07064	2.0
83.08633	0.7
85.02901	1.9
91.03956	0.8
91.05508	1.1
93.07050	1.1
95.04958	0.4
95.08617	0.5
97.02900	1.5
97.06527	0.4
99.04471	0.5
101.02397	0.5
105.07050	0.7
107.08593	0.5
109.10154	0.7
119.08550	0.4
121.10131	0.3
123.11682	0.3
127.03957	0.6
131.08603	0.4
133.10135	0.5
149.13329	0.4
151.11217	0.5
163.11313	0.3
185.04240	0.9
204.38022	0.3
243.08434	1.3
267.15744	0.5
301.08951	1.4
315.10669	0.5
360.10208	0.3
373.11090	0.6
385.18311	0.9
413.17950	0.9
429.17673	0.4
439.19690	0.5
441.21082	0.3
453.20981	0.5
467.19260	0.8
469.20609	1.2
485.24060	2.1
501.22745	1.7
599.33978	5.1
611.29919	0.5
625.32288	4.2
627.32477	0.4
651.33575	0.5
657.31055	1.0
683.36078	5.9
711.35065	1.3
727.35492	1.1
729.34943	100.0
730.35291	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	729.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84394	0.3
53.03955	0.6
55.01877	0.6
55.05506	1.6
57.03432	3.0
61.02926	4.8
62.04885	0.3
67.05501	4.0
69.03427	2.8
69.07085	1.2
69.22028	0.3
71.01361	0.6
71.05005	1.1
73.02914	3.3
79.05490	3.4
83.04990	1.4
83.08636	1.4
85.02906	5.8
85.06557	0.5
87.04475	0.6
91.03967	2.8
91.05473	4.3
93.07052	3.0
95.04973	2.7
95.08627	1.8
97.02896	4.4
97.06557	0.4
98.22593	0.6
99.04440	0.8
101.02382	1.7
105.07047	2.5
107.04949	0.8
107.08625	1.2
109.02886	0.8
109.06521	0.9
109.10185	1.0
111.04495	0.5
111.08121	0.5
115.03944	0.7
117.05505	0.4
117.07088	0.3
119.08604	2.3
121.10144	1.6
123.08092	0.6
127.03967	1.5
129.07008	1.5
131.08582	1.6
133.10115	2.7
135.08075	0.3
135.11717	0.5
147.11693	2.3
149.09578	1.7
157.09056	0.4
157.10216	1.3
163.11215	0.4
165.12820	0.5
175.11200	1.7
185.02773	0.3
185.04291	0.7
193.12202	2.3
196.37732	0.3
211.13396	0.8
243.08461	3.1
249.11021	0.6
251.12575	3.5
251.14549	0.3
259.08063	0.4
267.16147	0.8
283.15268	2.2
285.10248	0.5
285.17212	0.7
301.09119	0.7
307.15274	1.6
373.11310	0.5
385.18411	0.6
413.17938	1.0
426.15921	0.4
441.21603	0.6
467.19080	0.6
469.20477	18.1
470.20859	0.5
485.20041	0.4
501.23181	5.2
535.29156	0.4
567.32056	0.6
599.30243	0.5
611.29980	0.5
639.29797	4.9
657.31445	0.6
683.32336	0.6
697.34045	6.1
697.45197	0.5
711.33240	0.4
729.36707	100.0
730.37048	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	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83484	0.4
53.03939	0.5
55.05502	0.8
57.03425	1.1
59.05007	0.7
61.02927	4.3
65.03933	0.3
67.05502	2.0
68.87810	0.4
69.03439	2.5
69.07088	0.5
70.68416	0.5
71.01356	0.4
71.04988	1.5
73.02913	3.5
79.05494	2.5
83.04980	0.9
83.08610	1.6
83.81610	0.3
85.02908	5.1
91.03946	2.2
91.05470	3.8
93.07053	1.9
95.04976	2.2
95.08617	1.7
97.02886	3.7
97.06594	0.4
98.23354	0.4
99.04488	0.5
101.02399	1.4
105.07030	2.6
107.04996	0.5
107.08615	1.2
109.02890	0.7
109.06487	0.5
111.08115	0.7
119.08599	1.5
121.10127	1.7
127.03925	1.3
129.05458	0.4
129.07019	0.9
131.08595	1.2
133.10123	1.9
147.11702	1.5
149.09618	1.8
157.10143	1.6
157.42532	0.4
165.12704	0.4
175.11212	1.5
185.04236	0.3
193.12221	2.8
225.14905	0.8
243.08434	3.3
251.12630	1.5
267.15970	1.0
283.15131	4.3
285.17120	0.5
339.17813	0.7
364.16061	0.4
441.21286	0.6
469.20450	11.0
501.23065	11.5
502.23248	0.6
505.94940	0.4
567.31519	0.8
697.34613	0.4
729.36621	100.0
730.24005	0.5
730.37036	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	729.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
53.48616	0.3
55.01874	0.5
55.05516	1.4
57.03443	1.3
59.05015	1.0
61.02929	3.6
63.87926	0.4
67.05508	3.3
69.03415	2.0
69.07079	1.1
71.04999	1.6
72.28471	0.4
73.02920	2.3
79.05490	2.5
81.07418	0.4
83.04978	0.5
83.08644	1.0
85.02908	3.3
85.06560	0.6
87.04484	0.8
91.03965	2.3
91.05500	2.7
93.07047	2.5
95.05000	1.3
95.08598	2.2
97.02885	2.9
97.06566	1.1
99.04484	1.0
101.02361	1.8
105.07071	1.4
107.05009	0.4
107.08632	1.7
109.02892	0.4
109.10175	1.2
111.08109	0.4
117.07078	0.4
119.08591	0.8
121.10140	2.3
123.11727	0.8
127.03934	0.9
129.07036	0.7
131.08607	1.1
133.10135	0.7
135.11729	0.5
137.09654	0.4
147.11748	2.0
147.12735	0.3
149.09637	0.8
157.10127	0.5
163.11258	0.6
165.12817	1.0
166.98503	0.4
173.11798	0.4
175.11285	0.4
185.04280	0.7
193.12276	1.1
225.14905	0.4
229.14294	0.5
235.13120	0.5
243.08530	1.4
251.12746	0.7
265.29794	0.4
267.12170	0.6
267.15955	0.9
268.95193	0.4
269.17465	0.4
283.15280	1.9
323.14481	0.4
339.17938	0.6
370.23181	0.5
373.11301	0.5
385.18701	0.5
425.22064	0.5
441.17389	0.5
450.28369	0.7
451.19418	1.1
453.21194	1.9
467.18811	0.6
469.20459	5.5
469.26459	0.5
470.21292	0.4
485.23825	1.4
501.23050	4.9
625.32355	1.3
657.31104	0.7
679.33069	2.3
697.33264	1.9
711.35498	2.1
729.36560	100.0
730.37061	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	729.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81189	0.3
52.13474	0.3
52.29139	0.4
54.29356	0.4
55.01862	0.5
55.05509	1.4
57.03443	1.9
58.12041	0.3
59.05001	0.5
61.02927	7.5
67.05504	8.2
69.03440	3.1
69.07071	1.5
71.01363	0.5
71.05004	2.0
73.02921	4.3
79.05489	2.1
81.07063	5.6
83.04998	0.6
83.08607	1.1
85.02908	6.0
85.06541	0.7
87.04484	0.5
91.03955	3.9
91.05486	2.6
93.07033	2.9
95.04964	0.8
95.08597	1.4
97.02896	4.8
97.06541	0.7
99.04448	1.6
101.02348	1.8
103.03951	1.0
105.06998	1.0
107.08611	1.7
109.02894	0.9
109.10146	5.7
111.08051	0.7
115.03905	0.4
117.07027	0.9
118.46438	0.4
119.08604	0.3
121.10137	0.9
123.11716	0.7
127.03873	2.0
131.08527	0.8
133.10150	2.1
135.11688	1.0
145.04912	0.6
149.13248	1.4
151.11125	0.5
155.10677	0.6
159.11681	0.6
173.11758	2.1
177.12657	0.4
183.06493	0.5
185.04195	1.4
195.09918	0.7
195.13852	1.7
203.05289	0.5
229.14394	1.4
235.13080	1.1
243.08467	2.1
251.12434	0.4
269.17462	1.2
285.04456	0.4
291.15598	0.5
367.07111	0.4
413.17801	11.4
413.23257	0.6
414.18304	0.6
453.20999	12.4
463.26437	0.5
485.23489	2.8
596.30621	0.4
625.31934	100.0
626.32184	6.4
657.34216	1.1
683.36481	2.9
711.36041	0.5
729.39545	28.1
730.39484	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	729.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93233	0.5
55.05513	0.6
56.96592	0.4
57.03448	1.4
57.07075	0.7
61.02933	2.3
63.25920	0.4
67.05519	2.3
69.03438	1.6
69.07078	0.7
71.05003	1.9
73.02925	1.8
78.13076	0.4
79.05521	1.3
83.01083	0.5
83.04999	0.5
83.08629	0.5
85.02913	2.9
91.03973	1.9
91.05486	1.3
93.07053	1.4
96.01897	0.4
97.02914	2.6
97.06528	0.6
98.22804	1.6
98.23501	1.0
99.04456	0.5
101.02406	1.1
102.13420	0.4
103.03999	0.5
107.08609	1.0
107.56227	0.4
109.10184	0.9
119.08553	0.6
121.10170	0.5
123.11723	0.5
125.68569	0.4
127.03946	1.5
129.05551	1.1
131.08551	0.5
133.10127	0.9
145.10143	0.5
147.11717	0.6
148.17508	0.5
149.13301	0.8
155.54044	0.4
157.04854	0.4
159.11705	0.8
185.04213	2.8
196.82774	0.4
199.13527	0.5
201.03624	1.9
203.05299	0.5
220.02776	0.5
243.08511	1.8
267.09161	0.7
267.15717	2.8
269.10736	0.5
285.10049	0.6
293.17438	0.6
301.08957	8.2
307.18942	1.7
315.10657	2.5
341.12186	1.1
343.13782	0.6
355.14200	0.5
357.15204	0.5
365.19305	2.7
373.11066	4.1
383.20740	0.7
383.94998	0.4
385.18335	4.6
399.19882	0.5
411.20065	1.4
413.17886	1.1
425.21851	0.8
429.17282	0.8
441.21338	0.9
443.18976	0.8
449.28806	1.8
453.21051	1.7
457.20425	1.1
469.20306	0.7
485.23730	12.7
485.30814	0.7
486.24219	1.2
487.18576	0.8
501.23090	4.2
513.23370	1.5
529.22729	1.9
557.25854	5.1
569.33368	1.1
571.27222	1.2
585.30103	1.4
597.32318	0.7
599.30200	0.8
613.31464	0.9
625.31927	8.9
627.33411	2.8
628.33911	0.5
651.33557	1.2
657.35101	0.5
667.36865	1.0
671.36078	0.5
711.35742	1.6
729.35858	100.0
730.35974	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	729.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05516	0.5
57.03447	1.5
61.02927	5.3
67.05505	4.8
69.03440	2.8
69.07072	0.8
70.42072	0.3
70.70990	0.5
71.01362	0.4
71.04991	5.1
73.02911	3.0
79.05504	2.2
81.07491	0.4
83.05016	0.4
83.08633	0.8
85.02912	4.1
85.06556	0.9
87.04421	0.3
91.03966	2.5
91.05470	3.8
93.07048	2.7
95.04990	0.5
95.08627	1.1
96.87210	0.3
97.02897	3.5
97.06561	0.6
99.04476	1.0
101.02399	1.4
103.03947	0.5
105.07065	1.3
107.08626	1.3
109.02897	0.8
109.10135	0.6
117.07021	0.7
121.10204	0.6
123.11733	1.4
127.03954	1.0
131.08627	1.0
133.10127	2.7
135.11729	0.8
149.13339	1.0
151.11192	1.8
154.56876	0.3
159.11775	1.1
183.13838	0.8
185.04286	0.7
187.13409	1.1
195.13837	0.4
203.05292	0.6
243.08430	1.9
255.29315	0.3
257.17633	1.2
267.15680	2.8
267.86432	0.3
309.62924	0.3
323.18463	1.2
398.17270	0.4
436.01505	0.3
441.21265	0.7
451.62219	0.4
453.21204	0.7
485.23572	15.2
486.23962	0.4
515.33411	0.4
729.40277	100.0
730.40692	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	730.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40271	1.5
53.03947	3.2
55.01866	6.8
55.05512	21.1
55.99533	1.4
57.03439	46.6
57.07069	1.6
61.02924	3.1
63.80671	1.2
65.03939	3.5
66.05059	1.4
67.05160	3.0
67.05509	57.6
68.68168	1.2
69.03441	7.1
69.06718	1.5
69.07074	21.3
69.45570	1.6
69.45904	5.9
71.01352	5.1
71.04995	4.7
77.03919	1.9
79.05497	64.4
80.13494	1.6
81.03418	11.8
81.07058	51.1
83.04984	13.4
83.08624	24.0
85.02923	6.6
85.06535	2.9
89.77764	1.4
91.03971	1.7
91.05482	35.1
93.07048	82.5
95.04965	14.0
95.08606	29.3
97.02879	3.2
97.06526	14.7
97.10199	6.6
98.22726	1.8
99.08109	3.4
103.05489	1.8
105.04539	4.0
105.07039	29.9
107.04966	8.3
107.08591	28.7
109.02887	2.0
109.06528	3.9
109.10170	9.3
111.08083	4.6
111.90768	1.4
115.05454	2.0
117.07039	9.6
119.08587	18.3
121.06523	3.9
121.10146	56.0
123.08073	5.0
123.11726	2.3
125.09637	7.4
127.03915	4.0
129.07019	4.7
131.08560	19.8
133.10126	15.3
135.08072	4.0
135.11731	10.3
137.09598	4.5
139.11177	14.2
140.63693	1.5
143.08533	3.1
145.10124	12.7
147.08101	1.8
147.11652	7.0
149.09615	21.3
149.13249	6.3
151.11192	2.8
155.08562	1.9
157.10165	4.9
159.11685	11.7
161.09689	2.0
161.13274	3.9
163.11191	5.5
167.10667	12.0
169.10188	2.1
171.11702	4.2
173.13339	4.5
177.12793	4.3
179.14319	3.2
183.11794	2.3
184.07382	3.7
189.11267	2.3
189.12811	2.4
195.13855	4.8
197.13342	2.0
203.38530	1.7
211.11060	1.8
211.13080	1.8
223.13249	2.4
226.71687	1.6
227.12804	5.3
229.19647	1.9
231.17221	1.8
239.17816	3.0
241.14351	100.0
242.14699	4.6
249.00899	1.4
255.15913	7.7
257.19046	9.9
269.17508	18.6
275.20084	28.6
331.22592	2.5
349.23718	18.5
359.37982	1.4
395.24521	3.0
411.23749	6.9
411.78812	1.6
419.27979	1.9
421.25836	22.5
435.27429	83.6
436.27829	3.7
475.30685	2.7
486.23932	1.8
497.32468	2.2
515.33710	42.1
516.33899	2.3
533.34674	11.1
663.86670	1.8
730.39893	6.2
731.35248	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	730.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01870	7.0
55.05513	8.4
56.05036	1.0
57.03442	9.8
57.07082	2.2
60.08161	6.5
61.02924	3.8
65.03948	1.1
67.05161	1.8
67.05505	28.1
69.03428	3.2
69.07069	16.9
71.04985	3.0
71.07372	2.7
71.08634	1.3
71.43453	1.0
73.02907	4.6
73.06541	1.1
79.05492	23.4
81.03414	10.4
81.07056	28.1
83.04982	2.4
83.08626	3.9
85.02900	3.8
85.06519	1.8
86.09707	30.3
87.04453	1.2
91.03960	1.4
91.05482	26.7
92.12141	0.8
93.07047	25.4
95.04954	5.1
95.08604	20.0
96.10821	0.9
97.02897	1.5
97.06527	5.8
97.10179	2.1
98.98478	2.5
99.08088	1.7
102.03035	0.9
102.66788	1.0
104.10738	3.0
105.04493	0.8
105.07016	9.7
107.04955	1.4
107.08591	12.7
109.06522	1.7
109.10155	9.2
111.08089	1.9
115.05457	1.2
115.07568	1.8
116.04702	2.2
117.07036	5.6
119.08582	20.2
121.10143	9.5
123.08077	2.1
123.11674	2.6
125.00005	18.2
125.06031	2.6
125.09653	1.1
129.05489	20.5
129.06958	1.7
131.08598	5.3
133.10139	7.0
135.08070	6.4
135.11708	7.4
137.09615	5.5
143.07042	16.9
143.08244	1.8
145.10109	4.0
147.08034	4.0
147.11681	2.7
149.13275	3.8
159.11696	3.1
161.08104	3.2
161.13275	2.2
163.07587	1.0
163.14850	1.2
165.09111	6.0
171.10175	1.1
171.11642	1.1
172.10945	1.0
173.13268	2.4
183.10121	1.2
184.07341	100.0
187.14746	1.3
199.09651	3.2
201.11143	1.1
225.52524	1.0
239.12808	2.8
243.21063	3.5
254.17520	1.0
261.22165	5.7
273.13312	46.9
274.13675	1.1
277.21710	2.9
307.22675	2.4
332.61783	1.1
335.25784	26.2
336.26215	1.6
351.25351	1.1
475.34015	3.3
499.34073	2.7
517.35291	1.3
533.34973	7.4
686.61597	1.0
730.47046	8.7
731.45880	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	730.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.01870	4.9
55.05513	22.0
57.03443	15.3
57.07078	7.9
61.02946	8.3
65.03948	3.7
67.05508	50.0
69.03440	6.6
69.07077	18.3
70.38876	4.0
71.05000	14.0
73.02929	5.1
77.03938	2.8
79.05499	54.8
81.03422	42.5
81.07060	55.6
82.07418	2.0
83.04984	14.4
83.08618	18.9
85.02905	22.2
85.06532	9.6
86.25762	2.0
91.03990	3.4
91.05486	91.7
93.07051	43.7
95.04984	22.0
95.08608	29.4
97.02911	7.1
97.06559	8.0
97.10199	5.9
99.04508	2.6
99.08141	2.5
103.05558	2.6
105.07036	81.5
107.04987	7.3
107.08608	26.4
109.06567	5.9
109.10161	12.2
111.08092	10.1
115.05486	3.9
117.07029	22.3
119.08591	62.3
119.09409	4.3
121.06551	4.2
121.10148	27.8
123.08039	4.3
123.11731	5.6
124.31806	1.9
125.09644	4.7
128.06294	6.4
129.05524	3.9
129.07018	30.1
131.08574	31.9
133.10139	86.1
134.10536	2.8
135.08061	3.9
135.11687	16.2
137.09666	4.3
142.07826	7.6
143.08589	15.8
145.10143	28.0
147.08095	4.6
147.11691	68.4
147.12846	3.5
149.09688	8.0
149.13301	5.8
151.11259	2.9
155.08649	3.5
157.10118	32.8
157.11156	2.5
159.11679	14.5
161.09673	2.6
161.13295	7.4
163.11282	4.9
165.12859	2.9
169.10213	3.7
171.11694	36.5
171.13039	2.7
173.13336	4.8
175.11227	13.2
183.11803	3.2
185.13322	6.5
187.14893	6.7
189.12828	3.9
189.16461	7.3
193.12262	26.8
203.14246	3.8
203.17953	15.3
211.13287	32.1
213.16402	62.6
215.17972	3.4
229.16077	3.7
231.17455	100.0
232.17964	2.7
233.19099	2.1
243.08725	2.5
267.15851	11.9
283.15463	2.9
285.16953	50.4
285.19891	3.5
286.17429	2.8
305.21124	46.1
405.28101	8.8
423.29068	5.6
463.43393	2.3
485.23642	4.7
486.23853	13.9
487.34534	5.0
497.32666	18.9
515.33673	65.5
533.34552	2.6
626.32104	3.1
658.35260	8.8
730.40717	74.7
731.37909	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	730.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03931	3.1
55.01876	8.3
55.05508	21.8
57.03180	2.9
57.03437	41.4
57.07083	3.2
61.02915	3.4
65.03926	2.4
67.05503	64.5
69.03422	7.0
69.07063	29.2
71.01344	5.0
71.04992	7.0
71.08630	14.7
71.45362	1.8
73.02907	3.1
73.06564	1.7
79.05493	65.8
81.03418	23.9
81.07056	66.3
83.04985	12.3
83.08630	22.5
85.02895	8.8
85.06536	4.9
87.68698	1.7
91.05476	47.4
93.07045	90.6
95.04959	16.0
95.08607	32.1
97.02866	3.7
97.06538	14.7
97.10162	7.3
99.08103	12.6
103.05426	1.8
104.86842	2.0
105.04527	4.1
105.07034	30.4
105.95537	1.6
107.04963	12.9
107.08589	37.7
107.09260	3.2
109.06504	6.2
109.10167	7.4
111.04398	2.0
111.08092	7.7
115.05450	2.0
117.07016	14.6
119.08566	19.2
121.06533	4.2
121.10139	48.7
123.08069	5.9
123.11732	2.3
125.09613	6.1
127.03951	3.4
129.06990	7.0
130.07817	2.2
130.09157	1.6
131.08575	28.8
133.10120	20.6
135.08044	7.2
135.11664	8.7
137.09645	5.1
139.11168	10.3
141.06996	1.7
143.08533	3.8
145.10092	13.1
147.11676	7.3
149.09610	22.7
149.13248	14.8
151.11192	8.4
155.08545	1.9
157.10136	5.8
159.11638	11.0
161.09647	2.7
161.13312	2.9
163.11154	5.8
165.08998	1.9
167.10684	11.0
169.10143	3.4
169.83636	1.7
171.11702	2.9
173.09605	3.3
173.13242	4.7
175.11087	2.2
177.12759	4.9
179.14288	2.2
179.38489	1.6
181.12305	2.2
183.11580	2.3
184.07329	6.8
187.11214	2.2
190.02937	1.7
193.12225	4.7
195.13843	5.0
199.09621	2.7
201.16423	3.3
204.87163	2.2
211.13255	5.5
227.12773	6.8
229.15941	5.5
241.14337	69.9
247.16956	3.9
249.18446	3.3
255.15886	2.3
257.19003	4.3
267.15851	6.1
267.19659	2.1
269.17462	36.2
275.20047	15.8
285.16989	6.9
303.19296	1.9
305.21329	1.9
321.20520	5.2
323.22150	9.2
331.22470	1.9
349.23724	12.1
383.24182	3.4
395.24762	2.1
411.23962	4.3
421.25793	22.8
435.27399	100.0
436.27338	3.0
475.30383	2.1
487.33917	2.6
497.32635	3.4
505.09753	2.0
515.33661	45.3
516.33911	3.2
533.34644	28.4
579.31842	3.1
730.39905	1.6
731.35443	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	730.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01870	13.2
55.05511	24.6
57.03439	22.3
57.07075	4.0
60.08164	2.2
61.02927	9.1
65.03939	3.3
67.05505	65.3
69.03434	5.9
69.07069	13.8
71.04969	5.4
71.07372	1.5
71.08634	1.4
73.02926	4.6
77.03931	1.7
79.05492	65.8
80.06268	2.2
81.03424	16.1
81.07054	57.2
82.04199	4.1
83.04981	9.7
83.08620	14.2
85.02908	9.3
85.06545	4.4
86.09699	7.6
91.03958	2.3
91.05479	36.8
91.06051	2.0
93.07044	62.1
94.07854	1.3
95.04967	16.6
95.08601	35.4
97.02892	4.7
97.06527	8.8
97.10165	9.9
98.07309	4.8
99.04459	1.3
99.08087	5.4
101.06017	1.3
105.04517	3.8
105.07034	22.7
107.04963	5.1
107.08594	29.4
109.06524	5.6
109.10165	18.4
111.04435	2.3
111.08090	4.6
113.09602	1.2
115.05460	2.0
116.04704	11.1
117.07032	9.3
119.08582	19.9
121.06529	2.3
121.10143	30.9
123.08073	6.7
123.11726	4.2
124.99982	5.4
125.09620	14.8
129.05478	30.8
129.07022	4.4
131.08566	17.3
133.06517	1.3
133.10129	16.6
135.08066	6.3
135.11685	20.4
137.09647	4.2
141.06999	1.0
143.07042	6.8
143.08617	2.5
145.10117	12.1
147.08028	1.7
147.11662	11.1
147.12500	1.0
149.09615	4.0
149.13254	8.3
151.11203	1.5
157.08614	14.1
157.10106	4.8
159.11708	7.4
161.13286	2.9
163.07489	1.8
163.11177	4.1
165.12793	2.8
171.06653	1.2
171.10178	5.1
171.11691	3.0
173.11923	1.5
173.13261	6.5
175.11165	3.6
181.10168	1.1
184.07339	23.2
185.07764	3.1
185.13248	1.6
187.14699	2.4
189.11263	4.8
189.16409	1.2
193.12228	8.1
197.13614	0.9
199.09663	2.4
199.13316	3.8
200.14058	2.3
203.18178	1.2
205.19513	2.0
209.11653	1.5
211.13248	5.6
213.16382	2.5
215.17961	16.5
227.12820	7.9
229.14348	1.9
231.17607	2.5
233.18967	16.2
239.06648	1.0
249.18549	3.0
255.12279	1.4
255.15817	1.9
267.15823	5.9
283.15329	1.8
285.16940	2.0
287.20197	1.2
301.16449	75.6
302.16876	1.4
307.22672	100.0
308.22995	3.5
323.21786	1.2
335.25851	2.2
351.39474	1.2
351.61905	1.2
407.30374	1.2
499.34158	5.0
515.33466	3.0
533.34729	93.0
534.34894	3.9
730.42004	3.0
731.39398	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	730.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01871	9.4
55.05518	27.2
57.03440	24.2
57.07073	2.6
60.08153	3.3
61.02917	9.5
65.03940	7.4
67.05505	79.9
69.03430	9.0
69.07069	41.3
69.12969	2.1
70.06586	5.6
71.01353	2.6
71.04980	7.4
73.02908	6.4
78.81613	1.9
79.05496	86.4
80.05812	2.7
81.03429	18.9
81.07059	100.0
83.04984	17.2
83.08629	19.3
85.02913	13.4
85.06550	7.0
86.09702	14.1
91.03954	5.1
91.05484	79.0
91.46758	2.2
93.07048	80.9
95.04982	17.8
95.08608	41.7
97.02921	10.2
97.06545	15.3
97.10140	3.3
99.08092	9.0
103.05472	3.1
105.04519	5.2
105.07034	54.8
107.04935	10.5
107.08592	39.4
109.06511	8.8
109.10158	12.3
111.08089	5.1
113.05986	2.7
115.05491	3.9
116.06236	2.2
117.07013	26.1
119.06052	2.7
119.08589	40.2
121.06520	4.2
121.10147	42.7
123.08093	7.8
123.11741	3.4
124.99962	10.7
127.03892	4.8
128.06218	2.9
129.05502	10.3
129.07010	16.7
130.07796	3.2
131.08577	36.9
133.06496	2.9
133.10127	53.7
135.08046	10.8
135.11684	22.7
137.09578	5.9
139.11176	5.0
141.07025	4.9
143.08560	9.4
145.10110	26.5
147.08179	2.4
147.11674	23.4
149.02390	7.6
149.09619	25.4
149.13234	13.8
151.11249	5.4
155.08606	3.4
157.10085	12.3
159.11658	15.2
161.09615	3.7
161.13306	4.8
163.11209	7.6
167.10677	8.2
169.10173	5.8
171.11687	14.5
173.09583	5.5
173.13254	3.9
175.11154	2.8
177.12790	6.7
181.12306	3.3
183.11696	5.8
184.07323	40.5
185.13319	6.6
187.11290	2.5
187.14793	4.2
189.12775	4.4
189.16370	2.6
193.04985	3.3
195.13843	13.4
201.16415	4.9
211.14830	5.5
213.16434	19.6
215.17944	5.2
227.12822	4.9
229.15881	9.9
231.17450	31.7
233.18958	3.4
241.14378	23.0
241.19429	2.3
242.14661	2.5
245.13937	2.5
247.16991	9.1
253.14362	6.7
259.20627	5.8
265.14621	2.4
269.17490	53.5
283.15192	2.3
283.20532	2.5
284.29462	8.0
301.16354	11.3
305.21072	26.4
307.22662	15.1
321.20609	9.9
333.24252	3.9
403.09766	3.0
418.27087	3.6
435.27396	27.8
436.27734	2.6
447.27304	4.1
487.33939	3.9
499.34033	20.1
515.33264	8.1
517.35529	4.6
528.64410	2.4
533.34717	14.1
576.12543	2.4
639.21173	2.4
730.40466	21.9
731.40808	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	730.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01868	5.6
55.05509	26.3
57.03438	43.1
57.07076	6.8
61.02924	7.1
65.03941	7.7
66.51435	2.1
67.05160	4.6
67.05508	66.4
69.03421	8.6
69.07068	24.1
70.06574	8.2
71.01340	3.4
71.04983	5.0
73.02908	4.5
74.64478	2.4
75.45614	2.1
79.05495	78.9
79.21909	2.2
81.03432	14.4
81.07060	73.0
83.04989	14.6
83.08627	19.5
84.96077	2.2
85.02905	9.9
85.06533	4.6
86.09711	8.6
88.07623	10.6
91.03976	4.0
91.05490	59.5
93.07049	100.0
95.04977	17.0
95.08611	38.0
97.02892	8.1
97.06506	12.3
97.10176	3.0
99.08076	5.8
102.09166	9.1
104.10699	2.4
105.04512	4.1
105.06345	4.7
105.07034	54.6
107.04968	8.2
107.08587	38.3
109.06517	6.8
109.10168	12.6
111.08069	2.3
115.05440	2.5
117.07004	20.7
119.08580	38.1
121.06496	6.4
121.10147	57.2
123.08076	9.4
123.11700	3.7
124.99984	6.1
125.09631	4.3
128.06271	2.6
129.05511	4.0
129.07014	12.4
131.08572	23.0
133.10120	34.2
135.08066	5.3
135.11693	16.4
137.09573	4.7
139.11171	12.3
141.06950	3.4
143.08568	11.8
145.10158	22.6
147.08121	2.4
147.11678	30.1
147.24597	2.5
149.02361	34.0
149.03441	5.2
149.09650	15.5
149.13245	13.3
151.11194	2.7
155.08572	2.5
157.10115	8.3
159.11707	17.4
161.13225	12.5
163.11171	10.2
165.43881	2.2
167.10693	10.1
171.11681	9.2
173.13269	10.4
175.11061	2.7
175.14815	4.1
177.12732	4.1
183.11780	3.0
184.07323	26.5
185.13248	5.3
187.14818	4.2
191.14333	3.3
193.05035	16.2
195.13802	5.8
197.13402	2.5
213.16396	10.4
215.18002	3.5
227.12717	7.2
227.63223	2.5
229.16005	3.5
231.17447	17.0
233.18956	3.6
241.14369	50.4
241.19559	7.0
247.17162	2.8
253.14117	3.0
257.18906	4.4
259.20578	24.6
267.08850	3.4
269.17484	24.8
275.20050	9.9
283.15475	6.0
284.29498	27.9
301.15958	2.3
305.21265	7.8
307.22678	15.5
328.32202	4.1
333.24390	11.9
349.23715	4.9
385.09097	5.9
403.10065	7.7
429.12048	13.1
435.27350	34.1
436.27115	3.5
447.28128	2.6
473.14636	5.5
488.17438	3.5
499.34131	26.0
507.25540	3.1
515.33728	16.5
517.35016	10.4
533.34204	8.5
725.00507	2.6
730.41626	57.8
731.40009	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05025	0.9
57.03449	0.4
58.06336	0.2
58.06599	0.3
59.07379	0.2
60.07871	0.4
60.08167	6.6
62.97309	0.2
66.88888	0.2
67.05509	1.6
69.03349	0.2
69.07051	0.4
71.04984	0.3
71.07020	0.3
71.07384	3.6
79.05492	1.2
81.03407	0.2
81.07063	1.6
86.09713	32.3
87.10047	0.3
91.05467	0.8
93.07049	1.0
95.04974	0.3
95.08606	0.7
98.98472	3.2
104.10758	1.8
105.07019	0.3
107.08622	0.6
109.10161	0.4
111.08090	0.3
117.07074	0.2
119.08601	0.5
121.10147	0.4
125.00009	22.5
125.09638	0.2
131.08519	0.2
133.10155	0.3
135.11702	0.5
144.07979	0.2
159.11867	0.2
184.07352	100.0
185.07695	0.8
189.11314	0.2
273.13345	0.3
285.16898	0.4
307.22693	0.2
309.24109	0.3
335.25989	0.3
468.23779	0.3
475.34094	0.3
489.36118	0.2
533.38232	0.8
546.61243	0.2
574.20007	0.3
730.46674	6.8
731.46136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01875	1.1
55.05520	10.0
57.03442	7.0
57.07072	1.2
59.05018	0.5
61.02938	3.2
65.03940	1.4
67.05511	41.0
69.03425	1.3
69.07074	9.5
71.01343	0.5
71.05002	10.6
73.02915	0.5
77.03935	0.4
79.05500	28.4
80.05809	0.4
81.03442	2.2
81.07063	28.2
82.07387	0.4
83.04987	2.9
83.08627	4.2
85.02917	3.1
85.06559	1.5
86.09716	1.6
91.03960	1.1
91.05489	12.9
91.06065	0.7
92.05813	0.4
93.07053	34.9
94.07404	0.6
95.04974	4.0
95.08614	100.0
96.08941	1.3
97.02895	1.0
97.06535	3.3
97.09628	0.5
97.10169	2.7
99.08117	0.7
105.04530	1.9
105.07043	9.2
107.04986	0.6
107.08601	14.5
109.06542	1.0
109.10167	7.3
111.08092	1.2
113.09673	0.7
117.07020	3.4
119.08585	8.3
121.06513	0.5
121.10155	18.5
122.10501	0.6
123.08081	9.5
123.11736	2.2
123.12522	0.3
125.00036	1.0
125.09622	2.7
128.30234	0.3
129.07005	1.2
131.08585	8.6
133.06511	0.3
133.10135	5.9
135.11702	5.3
137.09624	1.2
137.13315	0.5
137.30247	0.4
138.66330	0.3
139.11198	1.5
141.07008	0.5
141.09135	4.2
143.08559	1.2
143.10681	0.6
145.10129	4.3
147.11694	4.2
149.09604	2.9
149.13251	2.4
151.11192	1.0
155.08524	0.4
155.10748	1.0
157.10185	1.0
159.10190	3.8
159.11714	3.6
161.13280	2.8
163.14839	0.9
167.10756	1.5
169.10165	0.8
171.11734	1.5
173.11804	1.1
173.13306	3.2
175.14856	1.4
183.11729	0.6
184.07361	5.3
185.13300	1.3
187.14871	1.6
197.11716	0.5
197.13326	0.5
199.13286	3.3
199.14859	0.5
201.16359	0.7
211.14946	0.4
215.12788	0.6
225.14761	0.5
229.14337	1.9
231.15973	0.9
241.14336	3.2
241.19621	0.5
243.21161	0.4
259.20596	1.2
261.22180	2.4
273.16980	17.2
285.22430	0.5
290.97229	0.3
317.24832	1.0
333.24341	0.5
335.25836	15.7
336.26071	0.8
363.25409	0.9
365.28436	1.6
383.29568	2.3
391.29181	0.4
401.30740	0.5
409.31100	1.3
457.33185	4.9
475.34238	62.3
476.34546	3.9
483.34677	1.0
489.35922	1.5
501.35773	12.7
502.36057	0.8
507.37079	0.5
519.36938	0.9
533.38428	32.4
534.38611	2.5
730.46283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03944	2.1
55.01872	1.1
55.05256	0.9
55.05514	15.3
57.03440	8.1
57.07068	2.3
59.04992	1.6
60.08158	0.5
61.02930	3.8
65.03938	2.2
67.05506	63.4
68.05839	0.8
69.03423	1.5
69.07069	9.8
71.04995	18.2
71.07368	0.5
71.08626	0.7
73.02920	1.2
73.06549	0.6
74.89172	0.6
77.03934	0.7
79.05495	48.8
80.05808	0.7
81.03413	1.9
81.07056	90.0
82.07388	0.8
83.04984	3.5
83.08623	7.9
85.02889	3.3
85.06543	8.5
86.09721	2.9
86.10197	0.5
91.03954	1.4
91.05480	28.1
92.05779	0.8
93.07044	49.9
94.07374	0.8
95.04968	6.2
95.08608	23.5
95.09217	1.2
97.02896	1.5
97.06537	4.0
97.10172	2.2
97.19444	0.5
99.04477	0.6
99.08089	2.1
103.05457	0.8
105.04539	2.8
105.07029	17.6
107.04997	1.1
107.08592	16.6
109.06522	2.8
109.10151	10.8
111.08096	2.3
112.72202	0.5
117.07027	4.5
119.08586	7.7
120.00307	0.5
121.10146	26.6
122.10436	0.5
123.08070	1.7
123.10936	0.5
123.11711	13.2
125.00015	1.3
125.09634	2.4
129.06956	0.9
129.63788	0.5
131.08580	7.5
133.10130	17.9
135.08080	1.2
135.11678	6.8
137.09647	0.6
139.11192	1.0
143.08575	1.0
144.09305	0.5
145.10098	4.9
147.11690	3.0
149.09599	1.0
149.13263	5.1
151.11198	5.7
152.11678	0.7
157.10144	0.9
159.11703	6.8
161.13196	1.7
169.12271	1.2
171.11731	0.7
173.13261	2.1
175.14857	0.7
176.28871	0.5
177.12773	2.0
183.13838	2.9
184.07349	9.8
187.13301	3.6
187.14771	0.9
195.13832	1.4
201.14929	0.6
215.17845	2.9
227.16429	0.9
233.13652	0.6
233.19026	1.9
243.15875	1.2
257.17487	1.2
269.17499	5.0
289.21854	0.6
301.16620	0.7
301.20068	14.2
307.22678	33.3
308.14725	0.5
308.22913	1.4
335.25778	1.0
365.28485	0.6
383.29480	1.3
409.30981	0.7
423.28342	0.6
457.33121	2.6
458.42175	0.5
463.30188	0.9
475.34195	84.9
476.34634	5.3
489.35678	3.1
501.35739	10.7
502.36105	0.8
533.38391	100.0
534.38788	7.9
545.38348	0.8
596.25543	0.5
730.45544	1.2
731.44696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1613
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02380	0.9
53.03949	0.5
55.01882	1.4
65.03951	1.1
67.01869	0.6
67.05511	0.9
68.99786	5.3
69.73154	0.8
69.73535	1.0
70.67632	0.4
73.46447	0.4
77.03926	0.9
79.01865	0.8
79.05501	1.0
81.03422	3.5
85.96387	0.4
89.03923	0.8
91.05479	0.9
93.03422	1.1
95.04965	2.1
97.02912	0.5
98.22858	0.9
99.04478	0.7
103.05457	0.7
105.03411	1.5
105.04524	0.7
107.04970	4.1
109.02889	3.2
111.00837	2.9
111.04462	2.9
115.05452	0.4
117.03413	0.4
117.07014	0.4
119.04951	0.8
121.02841	2.1
123.04435	90.2
124.04755	1.2
127.03919	100.0
128.04266	1.1
131.04929	2.6
135.04420	32.7
137.02353	3.9
137.05988	0.6
139.03905	43.7
141.06955	1.1
143.03395	0.7
143.04929	0.9
145.02850	0.5
145.06497	0.8
147.04413	7.1
149.02365	5.1
149.05968	1.8
151.03906	15.4
152.44347	0.5
153.01831	11.2
153.02983	0.6
155.04875	0.6
157.06488	0.8
159.04379	3.2
161.02408	0.5
161.06015	2.5
163.03906	35.5
164.04288	0.6
165.05481	3.6
167.03394	7.9
169.06516	1.7
173.06006	3.4
175.03909	4.7
175.07671	0.4
177.01816	0.4
177.05486	3.9
179.03398	4.1
181.04919	0.5
181.06432	0.8
183.04440	1.2
185.05989	1.8
187.03851	5.6
189.05486	4.1
191.03400	12.8
191.61682	0.4
193.04956	4.3
197.05978	3.6
201.05466	7.7
203.03407	10.9
203.07062	2.2
205.05017	3.5
209.06044	0.5
213.05486	2.1
215.03357	1.5
215.07033	3.0
217.04994	2.0
225.05469	1.6
227.03314	0.6
227.06914	0.7
229.04970	8.5
231.06528	1.8
233.04431	6.0
236.02791	0.5
237.05402	0.9
241.04993	1.8
243.06506	4.5
245.04486	8.5
247.06018	19.6
248.06393	0.6
251.05504	1.3
253.04944	1.2
255.06496	2.2
257.04449	11.8
258.05368	0.5
259.06018	9.0
261.07510	1.0
265.04999	0.8
269.04422	5.6
271.06012	18.5
272.06271	0.9
273.07568	6.1
275.05502	14.2
283.06021	7.9
285.07516	1.3
287.05508	24.8
288.05963	0.7
289.07059	14.6
291.08719	2.9
295.06073	0.7
297.07455	1.0
299.05594	3.7
301.07074	11.8
303.08661	0.5
315.08508	0.9
325.06912	0.7
379.07901	0.6
391.08273	2.8
393.09531	2.1
409.09180	25.5
410.09439	1.3
421.08932	2.6
427.10287	3.9
435.10474	1.7
439.10199	0.9
443.09509	1.7
477.69678	0.4
543.12909	0.5
561.11035	0.5
563.11493	1.2
579.10876	1.1
616.76953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14191	1.1
73.08911	0.2
117.03291	0.4
121.26250	0.3
127.03914	0.3
135.04434	0.5
145.02867	0.3
151.03770	0.3
153.01820	0.6
163.03912	3.4
179.03157	0.7
185.02110	1.4
197.04193	1.7
203.03197	0.3
215.05276	4.1
229.65866	0.3
264.74405	0.3
271.06116	0.3
309.51007	0.2
331.07767	0.6
359.07465	1.2
377.08426	100.0
378.08670	2.7
420.87579	0.2
488.70236	0.2
521.76123	0.2
560.59436	0.2
651.28577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62288	0.3
62.79176	0.3
63.48251	0.3
69.35617	1.5
138.02931	0.6
167.03204	1.4
169.04727	0.6
277.06924	1.4
301.91306	0.3
367.13644	0.8
403.13751	0.6
411.06171	0.3
417.15323	1.2
449.80777	0.3
477.17401	3.5
519.18018	0.5
605.22345	0.9
621.21863	1.8
731.25122	100.0
732.25458	6.7
732.34485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.5
56.96570	0.6
61.02934	2.3
61.50560	0.5
67.05512	1.5
69.03442	1.0
70.31810	1.3
73.02898	0.7
79.05506	1.0
81.03423	2.2
81.07062	1.6
83.05011	0.6
85.02913	1.9
91.03960	1.4
91.05495	1.9
93.07055	0.8
95.04994	0.6
97.02904	1.4
101.02406	0.9
105.07030	0.7
107.08637	0.7
119.08604	0.6
121.10153	0.8
125.31708	0.5
127.03910	0.8
135.08075	0.5
137.23347	0.5
145.10107	0.5
154.67413	0.5
162.79489	0.5
193.12219	0.7
197.01331	0.9
221.01207	0.6
243.08517	0.6
251.12589	0.6
286.25955	0.5
443.18982	0.7
463.15082	1.1
469.20453	4.3
485.19824	1.8
491.06516	0.9
503.20856	1.1
641.32001	1.2
685.33850	0.7
688.13885	0.6
713.33118	3.2
731.33209	100.0
732.33557	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	731.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
57.03439	1.0
61.02932	1.5
67.05504	1.8
67.90897	0.4
69.03433	1.0
73.02927	1.4
79.05507	1.2
79.20567	0.4
79.70273	0.4
81.03414	2.3
81.07070	1.2
83.04993	0.5
83.08652	0.6
85.02913	2.4
91.03965	1.5
91.05489	1.5
93.07059	0.9
93.97616	0.4
95.04984	1.1
95.08641	0.6
97.02908	1.5
99.04517	0.6
105.07040	1.0
107.08609	0.6
109.06586	0.4
109.10185	0.4
119.08604	0.8
121.10133	0.9
124.65699	0.4
127.03924	0.5
127.60646	0.5
131.08603	0.5
133.10173	0.5
135.11749	0.5
147.11781	0.4
166.54776	0.4
175.11186	0.5
185.04234	0.4
193.12286	0.6
194.43680	0.4
197.01247	0.4
221.01259	0.7
230.58139	0.4
243.08588	1.1
251.12570	0.6
259.08246	0.4
267.12155	0.8
267.16107	0.5
285.09979	0.4
306.01520	0.4
381.02502	0.6
419.86292	0.4
443.19101	0.7
469.20471	3.0
485.19742	1.7
491.06357	0.8
503.20496	0.9
534.31042	0.5
641.31897	0.7
685.33795	0.6
700.78937	0.4
713.33380	2.9
731.33264	100.0
732.33691	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	731.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.8
57.03378	2.4
61.02863	5.2
67.05431	6.1
68.64430	0.8
69.03356	3.0
69.07041	0.7
71.04930	0.9
73.02843	4.2
75.71346	0.6
79.05476	1.3
81.03422	4.9
81.06977	2.7
83.04900	1.8
83.08594	1.4
85.02826	5.7
91.03953	4.3
91.05393	2.7
93.06958	1.8
95.04919	1.4
97.02903	5.7
98.23491	1.8
99.04406	1.1
101.02297	2.5
105.06955	1.5
107.08522	0.9
109.10184	4.8
111.08031	1.1
117.05419	0.7
119.08510	1.9
121.10110	1.1
127.03851	1.8
129.05383	1.1
131.08521	1.3
137.09543	1.1
147.11613	1.4
155.10603	0.7
173.11656	2.7
185.04233	3.1
193.12206	1.7
199.40962	0.7
201.03635	1.0
202.13223	0.7
211.13240	1.0
229.14256	2.0
243.08444	3.3
251.12537	2.4
267.16037	0.7
269.13470	1.9
295.15073	0.9
301.08926	6.4
308.91690	0.7
315.10434	1.8
367.17236	1.8
373.11118	2.2
383.16995	1.0
385.18414	3.3
391.13635	0.8
413.17883	13.9
429.17166	1.1
433.26703	0.7
443.18802	2.2
469.20517	12.3
470.20801	1.0
473.19992	1.0
485.20270	1.9
487.21689	5.0
500.22629	0.9
502.20590	0.9
503.20758	1.1
559.23621	2.2
587.27112	1.0
601.30023	1.0
611.30652	0.9
629.31476	2.3
641.31476	100.0
642.31769	7.3
713.33923	3.5
714.34863	1.0
731.34369	86.8
732.35071	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	731.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
55.05475	1.0
57.03379	2.5
58.13355	0.5
61.02866	5.3
67.05443	5.9
69.03423	3.5
69.07026	0.4
71.04947	1.1
73.02922	3.5
79.05420	2.8
79.05856	0.8
79.09148	0.4
81.03422	4.3
81.07063	2.7
83.04951	1.1
83.08547	1.7
85.02902	5.8
87.04386	0.5
91.03959	3.9
91.05400	1.8
93.07031	2.4
95.04903	1.4
95.08598	0.9
95.09132	0.5
96.01762	0.5
97.02903	5.0
97.06426	0.6
98.23521	0.8
99.04377	1.1
99.07999	0.6
101.02365	2.3
103.03885	0.9
105.06965	1.3
107.08511	1.4
109.02795	0.8
109.10156	5.5
111.04368	0.6
115.03852	0.8
117.06995	0.5
119.08506	1.6
121.06517	0.5
121.10082	1.1
127.03841	1.6
129.06874	0.8
131.08514	0.9
133.10088	1.1
145.04926	1.0
145.09962	0.5
147.11607	1.5
157.10013	1.0
173.11671	1.9
175.11087	1.0
185.04152	2.0
193.12180	1.8
195.09892	0.9
201.03688	0.9
207.68584	0.5
209.53680	0.5
211.13231	0.6
227.05190	0.6
229.14313	1.3
243.08398	4.2
251.12570	2.9
267.15866	0.6
269.13647	2.6
295.15198	1.0
301.08990	6.0
307.15121	1.3
309.16592	0.8
315.10410	1.7
341.11942	0.9
357.15350	0.5
367.17258	2.0
373.10852	2.7
383.16653	1.5
385.18365	3.8
387.12769	0.6
413.17810	12.6
429.17349	1.3
439.19421	1.1
443.18787	2.2
451.26428	0.8
469.20514	15.0
473.19870	0.7
485.19873	1.5
487.21671	4.9
499.21625	0.6
500.22723	0.9
502.20520	1.0
503.21152	0.8
557.29437	0.6
559.23608	3.0
569.29413	0.7
573.25110	0.9
587.26788	1.0
601.27600	0.9
611.30841	0.6
629.31604	1.5
641.31409	100.0
642.31793	6.7
667.32721	4.8
668.33545	0.6
685.34131	0.8
713.34070	2.6
714.34418	0.7
731.34436	78.3
732.34894	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	731.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03802	0.4
53.04030	0.8
55.01946	0.6
55.05602	0.8
57.03554	1.5
59.05081	0.6
61.02691	1.1
61.03045	3.6
67.05229	1.3
67.05631	5.4
67.43623	0.4
69.03561	2.3
69.07197	0.4
70.54922	0.4
71.01471	0.6
71.05107	0.7
72.56351	0.3
73.02618	0.9
73.03057	2.4
73.61211	0.4
79.05201	0.8
79.05641	1.3
81.03564	3.2
81.07199	2.7
83.05109	1.0
83.08324	0.5
83.08782	1.2
85.02493	0.9
85.03064	5.2
87.04594	0.5
88.21624	0.4
91.03521	0.8
91.04127	2.7
91.05644	2.2
93.07212	1.9
95.05143	1.2
95.08768	1.2
97.03069	3.7
97.06654	0.5
98.23518	0.8
99.04599	0.6
101.02550	1.7
103.04085	0.5
105.06585	0.6
105.07225	1.4
107.08742	0.6
109.02397	0.5
109.03070	1.2
109.06657	0.5
109.10353	5.0
111.04579	0.7
111.08243	0.8
115.04104	0.5
119.08795	1.9
121.10300	0.6
127.04082	1.1
129.07155	0.6
131.08745	0.8
131.90405	0.4
133.10304	0.8
135.11853	0.5
137.09760	0.4
145.05125	0.4
147.11847	0.8
149.09814	0.6
155.10841	0.6
157.10323	0.9
173.12012	1.8
175.11401	0.9
185.04527	1.2
193.12556	2.1
195.10266	1.5
203.05460	0.6
211.13603	1.0
229.14745	1.2
243.08797	2.5
251.12959	1.4
346.71146	0.4
413.17828	12.3
427.19489	0.8
469.20508	11.4
470.20657	0.6
471.38620	0.5
501.23361	0.7
503.24490	0.5
551.28058	0.6
571.79285	0.4
641.31433	100.0
642.31732	6.9
659.31683	0.8
667.32782	0.9
681.31244	0.5
685.33881	0.9
687.35559	1.2
713.33221	1.4
731.34772	33.3
732.34998	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	731.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
55.24433	0.5
57.03427	1.3
58.25072	0.4
61.02928	3.4
67.05496	2.3
69.03423	1.9
69.32031	2.5
71.04977	0.8
73.02925	2.3
77.67883	0.4
79.05489	2.2
81.03421	2.7
81.07043	2.4
83.04963	1.0
83.08643	1.0
85.02892	4.9
85.06532	0.5
90.67141	0.4
91.03948	2.4
91.05473	2.9
91.18819	0.4
93.07043	2.0
95.04970	1.4
95.08638	1.3
97.02901	3.5
97.06515	0.7
97.10231	0.5
101.02404	1.5
105.07012	1.3
107.04959	0.6
107.08612	1.0
109.02898	0.6
115.57007	0.4
117.07008	0.5
119.08591	1.6
121.10163	1.3
126.71524	0.5
127.03919	0.8
129.06979	0.8
131.08569	0.6
133.10132	0.9
135.11685	0.8
143.74138	0.4
145.10045	0.5
147.11618	0.5
157.10196	0.6
175.11253	0.7
193.12317	1.1
206.06120	0.4
231.65433	0.5
234.07391	0.7
243.08469	1.0
248.67168	0.5
249.98143	0.4
251.12567	1.1
267.12259	0.6
285.13257	1.0
301.16513	0.5
336.17374	0.5
443.19016	1.0
469.20392	7.3
485.20050	4.0
503.21039	1.9
641.31238	1.4
713.33350	4.6
731.34149	100.0
732.34393	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	731.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05513	0.7
57.03445	1.4
59.05004	0.5
61.02927	4.0
65.29306	0.3
67.05505	3.8
69.03436	1.9
69.07069	1.0
70.51662	0.3
71.01374	0.5
71.05002	3.6
71.32272	0.5
73.02927	3.0
75.66058	0.3
79.05489	1.9
81.03413	3.3
81.07057	2.6
83.05027	0.7
83.08653	0.5
85.02914	3.5
85.06538	0.4
91.03967	1.8
91.05494	2.7
93.07050	2.8
95.04999	1.2
95.08620	1.1
97.02901	3.2
97.06564	1.0
99.04449	0.8
101.02389	1.3
105.07063	1.4
107.08618	1.1
109.02893	0.6
109.10159	2.3
111.08060	0.3
119.08610	1.5
120.78318	0.4
121.10140	1.5
127.03935	1.3
131.08621	1.0
133.10178	1.0
133.74309	0.3
133.78612	0.3
135.11734	1.0
137.09663	1.0
145.05008	0.5
147.11769	0.9
149.09660	1.4
155.10696	0.4
157.10182	0.7
160.58708	0.4
163.11331	0.4
173.11771	0.4
175.11292	0.8
181.12320	0.4
185.04303	0.4
187.13351	0.4
193.12321	1.3
203.05305	0.4
211.13239	0.4
218.76497	0.3
243.08434	2.2
243.15948	0.9
253.14250	1.3
266.30920	0.3
267.15866	0.8
283.15210	3.3
339.18149	0.6
439.19809	0.4
453.21292	0.4
469.20572	1.3
471.22083	8.9
471.28552	0.6
485.23660	0.5
501.23108	8.9
502.23648	0.4
553.98309	0.4
569.33002	0.4
627.30017	0.8
641.29413	4.2
699.36060	0.5
713.37140	1.6
731.38220	100.0
732.38550	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	731.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.8
55.01882	1.3
55.05518	2.8
57.03443	3.0
61.02933	5.0
67.05511	9.2
68.05843	1.4
69.03429	2.7
69.07064	4.4
69.60478	2.3
71.05001	0.9
73.02918	2.8
79.05495	8.2
81.03432	3.2
81.07057	7.4
82.07402	0.7
83.04996	2.3
83.08610	1.0
85.02906	3.9
86.09713	1.8
91.03971	2.5
91.05473	6.4
93.07050	8.7
94.07371	0.9
95.04994	2.5
95.08611	3.9
97.02898	3.6
97.06523	2.9
97.10176	1.0
98.22668	0.6
99.04464	0.6
101.02398	1.4
105.04524	0.7
105.07033	4.9
107.04986	1.8
107.08579	5.2
109.06515	0.9
109.10162	1.8
111.08090	0.6
117.07059	1.2
119.08589	2.4
121.06554	0.8
121.10142	3.3
124.21848	0.7
125.00030	1.4
125.09624	0.9
127.03976	1.3
131.08594	2.7
133.10147	2.9
135.11716	4.9
137.09659	0.6
143.08524	0.6
145.10162	1.5
147.11690	1.2
149.09680	0.9
149.13335	0.7
159.11679	0.8
161.13292	1.0
163.11255	1.2
167.10701	0.9
184.07355	4.8
185.04236	0.9
185.07713	0.7
201.69925	0.5
221.11496	0.8
241.14386	1.1
243.08492	2.5
275.20139	1.0
276.88712	0.8
307.22733	1.1
315.19357	4.2
336.31827	0.6
371.22079	0.8
377.22662	0.6
435.27164	0.9
436.28113	1.4
439.19412	10.4
440.19931	0.7
500.35217	0.7
501.35928	0.7
516.34021	1.5
533.26978	6.0
731.39734	100.0
732.39948	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	731.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.03430	1.8
57.76150	0.4
61.02922	5.3
67.05496	5.0
69.03429	3.2
69.07065	0.9
69.08219	1.9
69.08637	1.1
71.01357	0.6
71.05005	0.8
73.02913	4.2
79.05506	3.8
81.03429	1.5
81.07058	5.6
83.08621	0.6
85.02909	5.3
91.03960	2.4
91.05491	1.5
93.07043	4.9
95.04980	0.6
95.08604	3.2
97.02897	5.2
97.06553	0.6
97.40437	0.4
98.22685	0.9
99.04459	0.5
101.02376	2.0
105.07054	1.2
107.07982	0.4
107.08600	2.1
109.02886	1.2
109.10149	0.8
115.03950	0.6
117.04816	0.4
117.07032	0.5
119.08547	0.5
121.10164	1.6
127.03914	1.2
131.08621	0.5
135.11847	0.5
147.11783	0.5
149.13254	2.0
159.11742	0.5
160.99112	0.4
182.46786	0.4
185.04193	0.7
235.13156	1.6
243.08415	2.1
249.06151	0.4
263.51913	0.4
269.17590	0.6
291.15869	0.7
335.25775	0.5
427.61328	0.5
453.20920	7.0
519.29236	4.0
731.43353	100.0
732.43579	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	731.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01868	0.4
55.05514	1.0
57.03443	0.9
59.23114	0.2
60.58523	0.2
61.02927	3.5
63.81546	0.2
65.42888	0.2
67.05512	3.2
69.03433	2.3
69.07075	0.9
71.01355	0.4
71.04993	0.5
73.02920	2.6
79.05496	2.3
81.03426	0.8
81.07057	3.8
83.05003	0.3
83.08625	0.8
85.02911	3.2
91.03963	2.0
91.05495	1.4
93.07043	2.0
95.05002	0.3
95.08614	1.7
97.02904	3.0
97.06542	0.4
97.49655	0.2
98.23444	0.5
99.04462	0.5
101.02370	1.0
103.03945	0.3
105.04517	0.3
105.07055	0.8
107.08585	1.7
109.02885	0.2
109.10175	0.6
111.08077	0.3
115.03950	0.3
117.07006	0.4
119.08590	0.4
121.10172	0.7
123.11691	0.3
127.03946	0.9
131.08592	0.6
133.10149	0.7
133.48509	0.2
135.11723	0.6
147.11711	0.3
149.13319	0.8
159.11719	0.3
185.04311	0.4
195.13855	0.5
235.13167	0.4
239.03479	0.2
243.08334	1.1
319.94330	0.2
335.26163	0.2
385.90607	0.2
415.07565	0.2
453.20947	5.1
519.29395	3.6
520.30194	0.3
731.43384	100.0
732.43689	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	732.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.3
57.03432	7.7
57.07071	4.1
58.94023	1.2
60.08157	1.6
61.02927	3.6
63.85465	1.3
65.03934	2.0
65.15691	1.1
67.05504	65.4
69.07066	11.1
71.04990	14.5
73.02907	1.4
79.05495	15.5
81.03423	1.9
81.07056	94.0
82.07391	1.4
83.04977	3.4
83.08615	10.4
85.02924	3.6
85.06541	5.9
86.09712	4.4
91.03957	1.9
91.05475	16.8
93.07050	14.3
95.04995	2.1
95.08610	20.4
96.60955	1.2
97.02846	1.8
97.06532	4.5
97.10173	3.6
99.08093	4.9
105.07037	10.0
107.08589	11.3
109.10154	11.4
111.08090	2.2
113.09629	1.3
117.07072	1.4
119.08582	3.9
121.10143	8.9
123.11701	16.8
125.00048	3.0
125.09647	3.0
133.10117	9.6
135.11707	6.1
147.11650	4.0
149.13278	3.0
151.11179	4.9
156.06422	1.4
159.11687	3.0
161.13316	2.5
162.60493	1.3
164.49734	1.5
166.11020	1.3
177.12813	1.2
184.07372	15.1
187.13362	3.1
193.12305	1.4
195.13829	1.3
219.94566	1.4
235.20607	1.3
243.16141	1.6
269.17499	5.0
301.19992	12.3
304.45102	1.3
309.24216	27.6
325.27524	1.5
459.35034	1.6
477.35736	78.6
478.36020	3.0
503.37354	8.9
522.67352	1.6
535.39954	100.0
536.40265	5.0
732.43945	14.0
732.61786	1.7
733.38995	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	733.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62506	0.3
53.03938	0.7
55.01873	0.4
57.03444	1.5
59.05019	0.6
61.02931	3.4
67.05507	1.9
69.03434	1.8
69.30698	1.8
71.01374	0.4
71.04997	1.8
73.02914	2.4
76.75989	0.3
79.05484	2.1
81.03419	8.0
81.07059	1.6
82.27406	0.3
83.04959	0.3
83.08633	0.9
85.02911	3.5
85.06543	0.4
87.04507	0.4
91.03952	2.0
91.05479	3.2
93.07032	3.0
93.07526	0.3
95.04973	1.2
95.08611	1.5
97.02904	3.1
97.36939	0.3
98.23432	0.6
98.80935	0.3
99.04466	0.9
101.02396	1.2
103.03994	0.4
105.07050	1.1
107.08590	0.8
109.02890	0.6
109.06544	0.5
109.10190	1.5
111.08074	0.5
112.82578	0.4
115.03960	0.5
119.08572	3.5
121.06540	1.3
121.10169	0.9
123.08066	0.6
125.09652	0.4
127.03964	0.8
129.06998	0.6
131.08511	0.7
133.10167	0.6
137.08699	0.4
137.09596	1.9
147.08064	1.0
147.11736	0.9
149.09689	0.8
153.09084	0.5
165.09111	2.3
175.11241	0.4
193.12289	1.2
225.15010	0.4
239.12898	1.0
243.08388	2.6
255.11986	2.0
267.16068	0.7
283.15161	3.3
311.14688	1.2
316.16415	0.3
339.17889	0.6
409.25653	0.4
413.17682	0.6
469.20776	0.9
471.22092	0.5
473.19955	18.4
487.21646	0.6
501.23083	10.1
502.23431	0.4
553.29803	0.6
571.30786	1.0
643.32666	1.1
649.35535	0.4
715.34137	0.5
733.36102	100.0
734.36304	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	733.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
55.01875	1.1
55.05524	1.1
57.03433	1.2
61.02933	4.1
67.05496	3.8
69.03421	2.2
69.07067	5.9
71.04980	0.7
73.02917	3.0
79.05484	2.8
81.03426	3.1
81.07056	2.7
83.04986	1.4
83.08610	0.9
85.02901	5.0
91.03951	1.7
91.05481	5.0
93.07057	2.7
95.04983	1.6
95.08580	0.7
97.02910	3.3
97.06570	1.0
98.23532	0.8
101.02405	1.0
105.07040	2.3
107.04974	1.9
107.08603	1.4
109.06510	0.6
109.10146	0.7
109.99957	0.5
111.08071	0.6
117.07046	0.7
119.08601	1.5
121.10162	1.2
121.26157	0.5
127.03934	1.2
131.08611	1.8
133.10127	1.1
133.63525	0.5
135.08069	0.8
149.09642	3.2
157.10120	0.5
184.07379	0.7
185.04204	0.6
243.08430	2.6
251.12686	1.0
287.16098	2.5
343.18942	1.6
469.20416	6.1
505.24155	8.1
599.22046	0.6
702.91980	0.6
733.37628	100.0
734.38153	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	733.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.58756	0.2
55.01871	0.6
55.05521	1.4
57.03444	1.8
61.02934	4.8
65.03951	0.3
66.94992	0.2
67.05509	4.8
69.03439	2.4
69.07071	1.7
71.01344	0.4
71.05016	0.5
73.02930	3.6
75.16720	0.2
79.05499	4.8
81.03418	1.6
81.07067	3.3
83.05001	0.6
83.08629	0.7
85.02910	3.9
85.06570	0.3
87.04499	0.2
91.03958	2.5
91.05486	2.9
93.07053	6.0
93.07601	0.4
95.04998	0.9
95.08607	2.2
97.02905	3.7
97.06551	0.7
97.10168	0.5
98.05161	0.2
99.04475	0.4
101.02375	1.6
103.03976	0.3
105.04545	0.3
105.07036	2.8
107.08612	3.2
109.02901	0.6
109.10184	0.7
115.03963	0.4
117.07047	0.9
119.08572	2.4
121.10156	1.6
123.11723	0.3
127.03912	1.2
129.05527	0.3
129.07016	0.2
131.08609	1.0
133.10149	2.0
135.11699	3.7
135.12648	0.3
143.08580	0.6
145.10135	1.2
147.11717	1.0
149.13286	0.5
157.10114	0.5
158.87888	0.2
159.11761	0.6
159.65045	0.2
161.13231	0.5
163.11198	0.4
163.14978	0.2
171.11781	0.5
173.13333	0.5
175.14923	0.4
181.12285	0.4
184.07413	0.4
185.04221	1.1
185.13275	0.2
187.41888	0.2
193.12279	0.2
201.03848	0.3
203.05284	0.3
221.11491	1.7
243.08459	3.0
255.16035	0.5
256.76895	0.2
259.07901	0.2
259.20667	0.6
277.14319	0.3
301.09045	1.1
308.23044	0.3
313.09012	0.3
315.10614	1.0
317.20929	0.4
319.15103	0.4
333.24423	0.2
365.15781	0.3
369.15695	0.4
373.11276	0.7
385.18457	0.4
397.18564	0.4
404.12253	0.2
429.17636	0.6
439.19400	8.5
455.19226	0.4
465.20844	0.8
511.21469	1.7
518.36035	0.3
525.23511	0.5
535.28809	7.3
536.29486	0.5
539.24506	0.3
567.26697	0.3
571.36261	0.5
595.31024	0.6
635.33630	0.2
733.41370	100.0
734.41669	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	733.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01875	0.5
55.05513	1.2
57.03436	1.3
60.08160	0.4
61.02933	5.0
65.03944	0.3
67.05511	4.5
69.03440	2.8
69.07072	0.9
69.11221	0.5
69.11604	2.0
70.44690	0.3
71.01337	0.3
71.04987	0.5
73.02925	3.5
76.40794	0.3
79.05492	2.1
81.03422	1.1
81.07063	4.1
83.04974	0.3
83.08584	0.5
85.02910	4.4
85.06545	0.5
86.09718	1.4
87.10052	0.3
91.03969	2.8
91.05491	2.4
93.07050	3.3
95.04982	0.6
95.08596	2.8
97.02895	3.6
97.06553	0.5
97.10220	0.5
99.04479	0.9
101.02402	1.7
103.03898	0.4
105.07037	1.8
107.08603	2.9
109.02882	0.8
109.06545	0.4
109.10155	3.5
119.08606	0.7
120.57575	0.3
121.10143	1.1
123.11739	1.0
125.00026	1.4
127.03944	1.3
131.08597	0.6
133.10133	4.2
135.11765	0.5
145.10141	0.4
151.11197	2.1
173.25710	0.3
181.28412	0.4
184.07353	6.3
184.08873	0.6
185.04279	1.0
185.07744	0.8
195.00415	0.8
195.56548	0.3
203.05244	0.5
237.11034	1.6
243.08510	1.3
249.10886	0.4
253.14368	0.3
271.15402	0.5
293.13730	0.7
325.80246	0.3
335.26129	0.3
345.89243	0.3
383.93686	0.3
455.18881	7.0
456.19055	0.5
493.27448	0.5
519.29370	3.9
561.37836	0.4
571.36145	0.5
582.93591	0.3
733.41321	100.0
734.41656	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	733.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05515	2.0
57.03442	1.8
57.07059	0.4
60.08171	0.8
61.02931	5.5
67.05506	6.3
69.03432	3.4
69.07079	1.0
71.01366	0.5
71.05002	1.0
71.08646	0.4
73.02924	4.9
79.05500	3.6
81.03428	1.7
81.07060	5.2
83.08634	0.8
85.02911	6.4
86.09702	3.7
87.10059	0.5
91.03967	4.4
91.05490	2.5
93.07057	5.4
95.04990	0.8
95.08605	3.8
97.02904	5.6
97.10205	0.6
98.22742	1.0
99.04488	1.2
101.02396	2.0
103.03990	0.5
105.07025	2.3
107.08604	2.8
109.02893	0.5
109.10165	3.3
113.09703	0.4
117.07073	0.6
119.08588	1.1
121.10171	1.6
123.11725	0.6
125.00000	2.4
127.03963	1.6
131.08588	0.7
133.10127	3.1
134.35246	0.3
135.11731	1.1
145.05034	0.4
145.10129	1.0
147.11694	0.5
149.13298	0.5
151.11237	1.5
173.13379	0.4
184.07355	10.7
185.04330	0.5
185.07727	1.3
195.00375	0.7
203.05362	0.7
237.11011	2.4
243.08501	1.5
268.42947	0.4
269.90115	0.4
271.15463	0.4
335.26196	0.5
447.53555	0.4
455.19037	4.4
519.29388	8.0
733.41290	100.0
734.41620	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65945	1.3
52.90803	1.2
53.03953	3.4
55.01878	6.2
55.05512	15.1
55.37387	1.1
57.03434	10.7
57.07075	2.1
59.05008	3.3
61.02927	4.3
63.61241	1.2
65.03937	3.9
67.05508	100.0
69.03442	7.3
69.03750	1.2
69.07071	27.9
70.51039	2.1
71.04997	5.2
73.02919	3.2
79.05495	22.2
81.03418	7.4
81.07061	37.3
82.74963	1.2
83.04991	5.6
83.08622	10.5
85.02905	4.4
85.06547	3.9
87.04473	1.4
91.03963	2.4
91.05487	26.9
93.07048	26.0
95.04963	5.9
95.08611	23.3
97.02882	6.0
97.06535	6.8
97.10173	3.9
99.08092	1.5
103.05521	1.4
105.04498	2.3
105.07021	13.6
107.04951	4.7
107.08594	13.9
109.02921	1.2
109.06535	3.0
109.10162	74.3
111.08080	4.0
113.09626	1.7
117.07023	4.8
119.06750	1.2
119.08591	16.7
121.10176	7.3
123.08082	4.1
125.09641	6.5
126.30707	1.3
127.03945	3.2
129.07008	3.1
131.08609	6.6
133.10120	8.8
135.08037	3.1
135.11688	4.0
137.09607	11.4
142.51732	1.2
143.08524	2.0
145.10133	6.9
147.11665	5.9
149.09662	8.9
149.13335	2.8
151.11183	2.8
155.10661	4.5
157.10173	2.3
159.11725	5.5
161.13261	3.3
163.11203	3.5
171.10225	2.2
171.11607	1.2
173.11769	24.6
173.13249	2.4
177.12735	1.8
179.14351	4.9
184.07341	4.4
189.11243	2.0
223.13254	2.2
227.12787	4.0
229.14349	52.4
230.14777	1.4
243.88812	1.2
247.20755	1.5
257.19043	4.2
273.18530	2.2
275.20117	15.0
291.19672	5.7
293.21045	2.0
325.19894	6.2
349.23703	20.4
365.23306	2.2
373.18958	1.3
383.24274	18.9
399.16666	1.6
407.27991	5.5
409.25726	1.4
423.27548	2.5
458.89932	1.6
489.35757	2.0
503.33670	26.9
519.32709	1.8
521.34576	4.8
543.36694	5.1
590.78589	1.4
695.36353	1.4
734.37030	3.1
735.39270	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	735.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08729	0.5
55.01860	0.4
56.99290	0.4
57.03429	0.4
60.34971	0.5
61.02923	1.0
62.59571	0.4
67.05507	1.2
69.03441	0.7
69.07076	0.7
69.21026	2.4
73.02904	0.7
75.85307	0.4
79.05504	1.4
81.03435	0.7
81.07053	1.8
81.07500	0.5
85.02905	1.2
91.03972	0.8
91.05500	1.1
92.49734	0.4
93.07050	1.2
95.14501	0.4
97.02883	1.2
99.92028	0.4
105.07042	0.5
107.08592	0.7
122.81564	0.5
129.05467	1.0
134.54880	0.5
185.04208	0.6
243.08545	0.7
247.13010	0.5
259.07904	0.5
285.10120	0.5
291.19315	0.5
301.08926	0.8
315.10565	1.1
343.13901	0.7
371.16827	0.5
397.18381	1.3
441.26349	0.8
465.21292	1.6
485.17188	0.5
502.35245	0.6
537.23315	1.9
577.30133	0.8
591.31305	1.2
592.32263	1.0
620.31848	2.5
647.50934	0.5
649.31934	0.9
689.38751	11.7
690.39111	0.7
717.38440	0.9
733.38580	0.7
735.37170	100.0
736.37463	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	735.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01865	0.5
55.05523	1.5
57.03450	2.9
59.05019	0.4
60.05667	0.5
61.02932	3.5
65.03947	0.4
67.05512	4.5
69.03439	2.3
69.07075	2.0
71.01355	0.7
71.05003	0.7
71.08652	0.8
73.02929	2.3
79.05502	3.9
81.03434	2.5
81.07057	5.0
83.05000	1.1
83.08638	1.3
85.02916	3.7
85.06577	0.4
87.04512	0.4
91.03971	2.2
91.05494	3.1
93.07048	3.9
93.07518	0.3
95.05001	1.1
95.08623	2.3
96.44066	0.3
97.02898	3.1
97.06562	0.7
98.23083	2.4
99.04474	0.4
99.08121	1.0
101.02409	1.2
105.07030	1.7
107.05012	0.5
107.08630	1.8
109.02883	0.5
109.06552	0.4
109.10168	2.2
110.10490	0.4
111.74416	0.3
117.07058	0.6
119.08608	1.2
121.10170	2.9
123.08070	0.4
123.11713	0.4
127.03953	1.1
129.07083	0.6
131.08595	1.0
133.10179	1.1
135.11726	0.4
137.09663	0.5
139.11259	0.6
145.10188	0.6
147.11728	0.5
149.09651	1.0
149.13307	0.4
151.11226	0.6
156.68510	0.3
157.10112	0.4
159.11716	0.4
163.11330	0.3
167.10760	0.7
173.11781	0.6
184.07433	0.3
185.04271	0.7
188.00398	0.3
203.05380	0.3
227.12848	0.3
228.94345	0.4
229.14392	0.7
230.14703	0.6
243.08385	2.7
263.12863	0.4
289.17975	0.6
333.20432	0.9
389.23172	0.5
425.17886	8.5
439.19727	0.5
453.21072	1.3
459.65909	0.3
469.20602	1.6
492.13580	0.3
504.33844	0.4
507.25708	1.8
523.25006	0.6
551.28369	1.8
637.31848	0.8
665.90961	0.4
735.39252	100.0
736.39661	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	735.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01866	0.5
55.05513	1.6
57.03436	3.7
59.99656	0.3
61.02927	3.4
67.05504	4.0
69.03423	2.6
69.07056	1.8
71.01372	0.6
71.05001	0.7
72.64872	0.3
73.02918	2.9
77.22289	0.3
79.05495	4.5
81.03423	2.3
81.07062	3.5
83.04977	1.0
83.08618	1.5
85.02908	3.4
91.03929	2.0
91.05474	2.2
91.70708	0.3
92.05862	0.4
93.07047	4.7
95.04990	1.0
95.08615	2.6
97.02885	4.0
97.06538	0.7
98.23540	0.8
99.04460	0.9
101.02371	1.6
105.07051	1.4
107.08596	1.3
109.02880	0.5
109.06542	0.3
109.10178	1.3
111.08073	0.4
114.67596	0.3
117.07031	0.6
119.08588	1.4
121.10144	3.6
127.03954	0.9
131.08614	1.1
133.10156	1.0
135.08075	0.5
135.11647	0.4
139.11176	0.6
145.04944	0.4
147.11691	0.8
149.09669	0.5
149.13240	0.4
167.10678	0.8
173.11766	0.3
184.07289	0.5
185.04297	0.5
203.05313	0.4
207.10007	0.8
212.45290	0.3
217.26808	0.4
229.14406	0.5
241.14383	0.5
243.08356	2.2
275.20337	0.3
333.20306	2.6
425.17776	9.7
426.18359	0.4
439.19342	0.6
453.21042	0.9
469.20676	0.5
523.25470	0.5
551.28046	2.6
653.29785	0.4
656.28119	0.4
703.34332	0.4
735.39185	100.0
736.39642	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	735.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01871	0.5
55.05513	1.4
57.03445	1.0
59.07079	0.4
59.14956	0.4
59.49741	0.4
61.02935	3.4
61.78123	0.4
64.81852	0.3
67.05503	3.3
69.03438	2.9
69.07083	0.9
71.05000	0.7
71.40093	0.4
71.42786	0.5
72.75818	0.4
73.02929	3.2
79.05503	3.9
81.03427	2.2
81.07071	3.3
83.04980	0.5
83.08623	1.0
85.02914	4.3
88.09326	0.4
91.03969	2.6
91.05495	3.8
93.07051	3.3
95.04981	1.5
95.08636	1.8
97.02909	3.2
98.23019	0.5
99.04476	0.6
101.02428	1.6
105.07026	3.4
107.08622	1.3
109.02898	1.2
109.10210	0.8
117.07000	0.4
119.08575	2.7
121.06496	0.5
121.10134	2.0
127.03943	1.1
129.05502	0.9
129.07024	1.2
131.08604	1.1
133.10138	2.5
135.11714	0.5
145.10179	1.0
147.11716	1.9
157.10107	0.7
163.82906	0.4
166.15935	0.4
171.11778	0.5
185.04272	1.1
193.12207	0.8
201.00255	0.4
203.05188	0.4
211.13307	0.6
243.08533	2.7
251.12679	1.3
291.15781	0.5
301.09100	0.8
315.10690	0.7
357.15125	0.5
405.47885	0.5
409.18201	0.5
437.18118	0.8
469.20615	5.6
507.25610	6.8
507.33075	0.5
515.75049	0.5
541.22626	2.6
583.27197	0.4
597.29077	0.6
735.39264	100.0
736.39691	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	735.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05518	1.6
57.03429	1.9
57.07062	0.7
61.02929	5.1
67.05507	3.6
69.03445	1.9
69.07089	0.9
69.64531	0.6
71.43036	0.7
73.02917	3.5
77.91654	0.6
79.05486	3.5
81.03433	1.6
81.07068	3.7
83.08624	1.0
85.02904	5.4
91.03967	5.0
91.05496	2.1
93.07069	3.5
95.01070	0.8
95.04980	1.0
95.08633	2.4
97.02910	5.2
97.06509	0.9
101.02388	1.7
105.07031	1.5
107.08579	1.4
109.10184	0.8
117.05567	0.8
117.07029	1.0
119.08564	0.8
121.10164	2.0
123.04196	1.6
127.03944	2.3
128.73056	0.6
129.05504	1.9
135.11729	1.1
149.13300	0.7
157.04750	0.6
159.94321	0.7
181.04660	0.8
184.07529	0.9
185.04205	6.3
187.21825	0.7
195.06320	0.7
201.03735	2.4
201.07642	0.6
203.05414	0.9
227.05290	0.7
240.72885	0.7
243.08363	3.4
259.07889	1.1
286.78250	0.6
288.48962	0.7
299.19971	0.8
301.08939	13.5
307.22778	1.0
310.01947	0.7
313.08871	0.7
315.10492	5.0
317.08524	1.0
327.10413	0.9
329.12180	0.9
341.12164	1.9
343.13742	1.8
355.13638	1.8
357.15219	1.9
360.67505	0.8
373.11227	7.3
383.16757	1.4
385.18414	8.3
395.16602	1.3
401.14075	1.3
415.16061	0.8
427.15686	1.4
435.20801	0.9
441.16931	3.5
455.19083	1.1
455.31149	0.8
457.20712	1.5
461.20996	1.0
467.19025	0.8
469.20615	0.8
471.30875	0.7
481.20541	2.9
491.26221	15.5
492.26620	1.0
495.22177	1.1
521.23523	2.3
550.27576	8.6
563.28491	5.0
577.29858	1.5
591.30768	2.1
605.32813	1.8
633.36426	4.3
634.36993	6.8
651.37311	2.1
659.56836	0.9
673.38873	1.2
675.36914	1.6
689.38361	1.1
690.39661	1.0
717.37970	2.6
735.39093	100.0
736.39917	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	735.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05507	3.6
57.03426	3.2
61.02927	9.2
67.05518	10.1
67.90470	1.2
69.03428	4.6
69.07069	2.3
69.08077	7.6
71.04999	1.5
73.02929	6.8
74.53065	1.1
79.05500	7.2
81.03426	6.2
81.07055	10.1
83.08631	2.4
85.02893	7.5
91.03965	5.2
91.05475	13.2
93.07034	8.8
95.04956	2.4
95.08616	3.7
97.02901	6.4
97.06541	1.6
98.02229	1.1
98.23417	2.9
99.04510	1.6
101.02372	3.2
105.07050	5.0
107.04965	1.4
107.08578	3.1
109.02888	2.1
109.10159	1.8
111.08076	1.1
117.07059	3.2
119.08588	3.4
121.10155	3.5
127.03938	3.4
129.05470	1.4
129.06981	1.8
131.08585	2.0
133.10135	5.5
135.11690	1.9
136.16325	1.1
147.11726	1.4
149.13354	1.6
159.11714	2.0
185.04269	3.0
203.05275	1.8
219.09961	1.6
235.13121	1.5
243.08475	5.0
245.11589	1.3
267.12213	1.9
289.32379	1.2
301.08945	2.8
315.10416	2.5
336.55307	1.2
343.13330	1.2
371.16742	3.4
373.11258	1.4
425.17419	2.5
425.22449	1.5
437.17712	18.9
453.20923	11.9
467.19220	1.8
487.26804	2.4
491.26114	3.9
505.23764	1.6
509.19690	6.6
523.23267	1.1
537.27057	1.8
555.36841	1.3
565.26239	1.8
566.26605	1.6
577.29761	2.3
591.31378	5.2
592.31476	2.1
619.30713	3.5
620.31702	5.6
637.32050	2.2
649.31885	100.0
650.32208	5.8
689.38715	52.5
690.39105	2.6
717.37976	9.0
718.39319	1.6
735.39081	59.5
736.39301	7.2
760.68359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89827	0.2
53.03936	0.5
55.01880	0.4
55.05520	1.3
57.03434	1.8
61.02925	5.3
65.03927	0.2
67.05508	4.7
69.03435	3.2
69.07066	0.9
69.88003	0.5
69.88328	0.4
71.01361	0.4
71.04986	2.2
73.02922	3.4
79.05491	4.3
81.03429	1.4
81.07053	5.0
81.07501	0.3
83.08598	0.6
85.02904	4.8
85.06551	0.3
86.60455	0.2
87.04482	0.4
91.03951	2.9
91.05477	2.1
93.07036	4.0
95.04977	1.0
95.08595	2.3
97.02889	4.6
97.06541	0.7
99.04472	0.8
99.08109	0.4
101.02374	1.6
103.03924	0.3
105.07024	1.5
107.08586	1.5
109.02881	0.8
109.10165	1.0
117.07034	0.4
119.08583	0.7
121.10139	2.4
123.11725	0.9
127.03933	1.2
131.08575	0.8
133.10120	1.6
135.11705	0.7
139.43449	0.3
145.04938	0.4
145.10086	0.4
147.11760	0.3
149.13281	0.5
151.11195	0.5
159.11737	0.6
173.13237	0.2
185.04279	0.5
201.15294	0.2
203.05280	0.6
215.17993	0.4
243.08427	2.3
257.17596	0.5
267.15677	1.4
307.22693	0.6
453.21198	0.4
485.23447	3.8
491.26181	6.4
726.71387	0.3
735.42780	100.0
736.43079	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	735.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05509	1.3
56.03183	0.4
57.03443	1.9
57.07051	0.3
59.04995	0.5
61.02925	4.7
67.05505	4.3
69.03432	2.9
69.07075	0.9
71.05009	2.1
71.43572	0.4
71.81218	0.4
73.02913	3.7
79.05489	3.8
81.03409	2.0
81.07062	2.8
83.04995	0.5
83.08629	0.8
85.02908	4.0
86.09685	0.4
91.03961	2.7
91.05486	1.7
93.07048	4.3
95.04946	0.7
95.08606	9.6
97.02872	3.5
97.06526	0.4
99.04459	0.9
101.02374	2.0
105.07040	1.1
107.08607	1.8
109.02871	0.9
109.10152	0.9
110.78822	0.4
115.03928	0.5
119.08598	0.8
121.10143	3.7
123.08036	1.8
127.03910	1.1
129.07051	0.4
131.08559	0.8
133.10159	0.7
133.99391	0.5
135.11699	0.8
139.11157	0.4
141.09132	0.7
149.09595	0.5
157.10147	0.4
159.10214	0.4
159.11678	0.5
184.07391	1.8
185.04182	0.4
203.05339	0.5
205.12155	0.4
239.12694	1.1
243.08490	2.9
264.91708	0.4
277.01410	0.5
294.66068	0.4
295.15506	0.5
413.17871	0.5
425.17517	0.5
457.20447	8.6
458.20694	0.4
519.29291	4.1
735.42810	100.0
736.43134	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	736.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08359	2.7
55.05521	7.3
57.03428	9.6
57.07074	48.2
62.81082	2.5
67.05506	67.8
69.07067	11.7
69.16489	17.1
71.04993	30.8
71.08634	46.1
79.05491	12.6
81.07056	100.0
83.05007	4.4
83.08623	24.5
85.06544	14.8
85.10176	22.5
91.05485	21.1
93.07040	12.9
95.08601	35.9
97.06526	3.7
97.10184	8.5
99.11724	3.1
105.07050	9.0
107.08591	12.1
107.19254	2.9
109.10172	26.3
111.08115	3.2
121.10135	5.8
123.11707	33.0
133.10138	34.8
135.11659	4.3
137.13240	3.3
149.13254	6.7
151.11194	11.8
159.11650	6.4
183.13808	6.3
187.13321	6.9
239.23802	6.4
257.17529	6.0
257.24890	2.6
258.97385	3.3
269.17545	2.9
279.08505	3.3
295.57312	3.1
297.65692	2.7
301.20050	22.0
313.27344	28.0
327.51044	3.0
479.81049	3.6
481.38889	91.6
507.40356	11.5
511.01675	3.4
539.43024	95.4
540.43768	5.5
572.71362	3.7
734.32550	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	737.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01867	6.0
55.05514	31.4
57.03441	10.9
57.07084	2.1
59.05001	3.7
60.06669	1.7
61.02922	16.8
61.27803	2.0
61.28518	1.7
61.36255	1.8
67.05505	59.0
67.47210	1.7
69.03428	12.7
69.07066	17.9
69.84142	1.8
69.94627	1.9
71.04986	12.4
73.02917	9.2
79.05493	40.7
79.48194	1.8
79.92030	1.9
80.28723	2.1
81.03411	12.0
81.07056	52.6
83.04974	8.6
83.08626	17.1
84.80501	1.6
85.02913	15.6
85.06564	4.8
90.31995	2.1
91.03955	8.7
91.05479	41.3
93.07043	44.7
95.04961	13.0
95.08608	38.1
97.02878	12.8
97.06544	5.9
97.10157	16.0
99.08096	7.0
105.07026	32.2
107.04939	5.5
107.08589	25.5
109.06549	6.4
109.10162	21.4
111.08067	5.8
115.05459	3.3
117.07019	25.2
119.08588	29.3
121.06510	4.9
121.10140	16.7
123.08059	6.6
123.11722	5.8
125.09634	12.6
128.06209	5.6
129.07007	18.9
131.08554	29.8
133.06499	3.5
133.10132	19.4
135.08072	7.5
135.11699	8.9
137.09622	3.4
139.11133	2.8
141.06987	7.2
142.07774	4.4
143.08566	18.8
144.09366	2.2
145.06433	3.0
145.10114	26.2
147.08012	5.8
147.11699	12.4
149.09615	6.6
149.13269	2.8
154.07742	2.1
155.08508	14.8
156.09232	2.5
157.10146	20.3
159.08063	4.4
159.11691	17.2
161.09671	4.6
161.13269	7.1
163.11191	4.2
165.12721	2.5
167.08614	4.2
169.10129	13.7
171.11662	16.1
173.09666	3.2
173.13255	10.0
175.11200	5.1
179.08542	3.8
181.10092	11.1
183.11703	12.8
185.13251	12.3
187.11147	4.9
187.14822	4.8
189.11130	3.8
193.10390	2.5
193.12303	4.2
195.11711	11.9
197.13213	9.2
199.11362	2.0
199.14806	7.2
205.10155	2.1
207.11777	3.6
209.13329	9.5
211.14812	4.4
213.12852	2.4
217.15825	2.3
221.13319	3.8
223.14787	4.3
227.12781	10.8
229.14180	2.5
233.13293	2.0
235.14781	3.2
237.16389	4.0
257.19263	2.3
265.19556	2.9
267.15991	3.7
273.18570	2.7
275.20145	4.5
283.20587	5.4
285.22165	3.9
287.20084	3.0
297.22049	3.2
299.20444	2.6
299.23538	9.4
301.21628	4.7
309.22168	2.2
321.22064	2.7
339.23148	2.9
375.25449	2.2
415.29767	7.0
421.25479	3.2
433.30948	20.5
443.27902	4.9
451.32004	12.7
461.28452	2.7
469.33139	5.3
483.34412	2.3
499.34430	2.2
507.34503	7.7
515.37799	2.4
517.35132	13.1
525.35718	75.4
526.35889	3.8
543.36780	100.0
544.36908	6.2
557.38660	22.5
575.39484	29.1
651.38812	3.0
669.39526	2.7
687.40375	4.4
737.40784	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01873	4.7
55.05524	7.1
57.03444	14.1
61.02917	1.5
64.76868	1.1
67.05513	22.2
69.03440	5.0
69.07071	5.8
71.05006	3.4
71.44371	1.3
75.47092	1.0
79.05505	14.3
81.03427	67.4
81.07065	21.7
83.04988	6.3
83.08634	11.8
85.02924	1.5
85.06551	3.2
91.05492	28.8
93.07057	14.9
95.04977	18.9
95.08640	6.9
97.02915	2.3
97.06556	2.3
97.10190	2.7
99.04489	1.9
99.08148	1.3
105.07043	23.7
107.04980	6.1
107.08604	18.9
109.02892	1.5
109.06565	6.3
109.10172	27.2
109.10888	2.0
111.04454	2.1
111.08104	5.9
113.06012	1.8
117.07052	3.2
119.04967	1.4
119.08607	12.0
121.06520	3.7
121.10187	3.6
123.04543	1.7
123.08080	1.7
123.11729	4.4
127.07580	2.6
129.07013	7.8
131.08575	7.9
133.06488	1.8
133.10146	40.2
133.11148	2.0
135.08040	1.4
135.11691	2.3
142.07788	1.3
145.10106	2.0
147.08122	2.2
147.11662	5.6
149.09657	4.5
151.11191	21.5
156.93343	1.2
157.10139	7.1
161.09662	9.1
165.12720	2.3
169.12190	6.0
175.11217	9.0
179.10741	4.7
189.09129	1.8
193.12268	19.8
207.10216	5.3
211.13353	3.7
215.12762	2.5
243.12335	2.1
249.14951	2.2
253.14403	2.1
267.15952	100.0
268.16241	2.1
268.90707	1.2
281.13788	3.0
285.16953	2.4
299.14929	82.0
300.15372	2.0
335.69861	1.1
354.10013	1.2
421.25769	3.7
445.11865	1.3
459.27588	3.6
473.25546	8.5
477.28586	3.5
491.26459	80.0
492.26764	2.8
509.27545	13.8
523.29059	1.6
533.27454	1.8
738.37067	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	738.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.6
53.03944	4.3
54.91173	0.9
55.01880	4.5
55.05259	1.2
55.05515	16.3
57.03440	16.2
59.04998	1.9
61.02934	1.5
65.03944	1.0
67.05506	24.5
69.03425	2.9
69.07066	5.4
69.10030	2.2
69.10435	5.1
69.56241	1.0
71.01370	1.0
71.04998	2.4
73.02915	1.6
76.41848	0.9
76.44384	1.0
79.05492	23.6
81.03417	78.6
81.07053	25.6
83.04978	9.2
83.08124	1.6
83.08621	26.6
85.02905	6.0
85.06556	1.9
91.05484	35.9
91.06061	2.1
93.07045	18.0
95.04964	28.5
95.08618	8.9
97.02879	6.3
97.06548	4.4
97.10147	6.3
98.22736	2.5
99.00822	13.0
99.04442	1.1
99.08085	1.2
105.04565	1.0
105.07030	23.7
107.04958	12.1
107.08593	11.2
109.02868	11.1
109.06509	8.3
109.10175	4.0
111.04420	2.4
111.08076	9.9
113.06012	1.3
115.03941	2.8
115.05446	1.9
117.07019	3.9
119.04966	1.6
119.08582	21.9
121.06510	8.9
121.10154	6.7
123.04427	1.4
123.08065	3.9
123.11742	1.5
125.09673	5.9
127.03923	2.8
128.06200	1.7
129.07014	10.7
131.08571	10.9
133.06519	4.8
133.10126	31.5
135.08025	1.8
135.11705	1.7
137.05974	1.8
137.09622	4.0
139.07555	3.4
142.07777	2.3
143.08556	4.8
145.06496	2.6
145.10126	2.8
147.08066	4.1
147.11668	8.8
149.09601	4.5
151.11180	8.5
155.08560	1.0
157.10118	10.9
159.11717	1.2
161.09625	18.8
161.10983	0.9
163.11176	3.7
165.09152	1.5
165.12764	2.3
169.39700	0.9
171.08043	3.9
173.13292	1.0
175.11147	10.4
179.10684	8.8
189.09129	12.4
189.11220	4.4
193.12248	26.6
197.11734	2.5
200.67920	1.0
205.12123	0.9
207.10178	4.3
209.11748	2.3
210.08524	0.9
211.13251	12.4
219.13812	8.1
225.11182	10.6
227.12807	4.3
243.12349	1.5
249.14902	2.4
255.13921	1.1
267.15906	100.0
268.16251	4.0
281.13858	6.6
283.15417	3.5
285.17007	10.9
299.14896	68.5
300.15216	2.6
351.86661	1.1
367.22769	2.7
371.22098	1.0
381.20404	1.3
385.23495	2.8
389.22949	1.7
399.21558	1.7
407.24356	1.3
417.22867	1.5
433.25916	2.5
441.26404	1.5
445.25897	8.8
447.27441	2.0
459.27429	18.7
463.26700	5.4
473.25342	27.2
477.28467	16.8
489.51599	1.0
491.26382	85.9
492.26620	4.7
509.27322	6.4
533.27429	1.7
617.29858	1.0
653.30444	1.4
675.72937	1.2
738.34137	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	738.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01877	1.6
55.05511	13.9
57.03437	6.3
57.07066	1.7
59.05017	0.6
60.67702	0.6
60.71150	0.5
65.03938	2.5
67.05504	45.9
68.05806	0.6
69.03437	0.9
69.07063	10.4
71.05009	1.6
73.06528	1.0
74.67470	0.6
77.03947	1.8
79.05491	50.3
81.03418	4.2
81.07054	42.3
83.04977	7.3
83.08600	3.9
85.02915	1.4
85.06567	1.3
86.01601	0.6
91.05476	37.5
92.05797	0.9
93.07044	45.2
95.04967	13.6
95.08605	25.4
97.02879	0.8
97.06506	3.0
97.10190	2.4
98.23440	1.1
105.04522	4.6
105.07030	24.4
107.04952	3.1
107.08595	15.2
109.06519	3.3
109.10150	6.6
111.08130	1.2
115.05450	1.2
117.07024	6.4
119.08577	14.0
121.06531	1.2
121.10137	7.8
123.08074	2.3
123.11710	1.5
128.06207	1.7
129.06998	8.7
131.08585	4.2
133.10124	7.1
135.11700	4.0
137.13248	0.6
143.08559	4.7
145.10083	5.4
147.08089	0.7
147.11681	15.8
149.13297	2.4
159.11696	2.6
160.87556	0.6
161.09621	1.9
161.13226	6.1
163.14835	0.8
171.11682	12.3
171.13033	0.9
173.13263	1.4
189.12724	4.1
207.13797	16.4
211.00502	0.8
225.14755	0.7
243.21230	1.6
261.22128	4.7
279.15891	2.8
281.17468	54.7
282.17761	1.1
306.14200	0.6
317.24741	1.8
335.25797	45.3
336.26233	1.3
449.34134	1.0
467.35187	0.9
541.38867	100.0
542.39056	4.6
559.39600	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	738.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20016	0.1
54.96152	0.1
55.05505	0.2
55.53542	0.1
56.05025	0.8
56.81625	0.1
57.03426	0.2
57.07069	0.5
58.06351	0.2
58.06630	0.4
59.07388	0.2
60.08163	6.6
66.04417	0.1
67.01320	0.1
67.05501	0.4
69.07067	0.2
71.07371	3.6
71.08624	0.3
79.05468	0.2
79.57529	0.1
80.05826	0.1
80.97424	0.2
81.03427	0.8
81.07044	0.6
83.08625	0.3
85.10175	0.2
85.58303	0.1
86.09702	31.2
87.10027	0.3
91.05492	0.2
93.07043	0.2
95.04957	0.2
95.08603	0.4
98.98458	3.1
104.09666	0.2
104.10737	2.1
105.07012	0.4
107.04958	0.2
109.10122	0.2
109.75198	0.1
119.08558	0.2
121.10157	0.2
123.11655	0.1
124.99998	21.8
133.10052	0.2
143.00980	0.2
147.85417	0.1
166.02594	0.2
184.07333	100.0
185.07722	0.8
193.12186	0.2
212.02458	0.1
267.15915	1.1
313.27362	1.0
326.15512	0.1
466.76031	0.1
505.38867	0.7
688.45441	10.5
689.46069	0.6
732.32050	0.2
738.43335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
54.49370	1.0
55.01874	14.2
55.05511	40.2
57.03440	25.8
57.07077	2.4
59.05006	29.0
61.02926	5.2
65.03938	5.6
67.05505	100.0
69.03433	9.7
69.07069	13.5
70.52364	1.7
71.01345	2.4
71.04991	13.9
73.02908	3.8
77.03925	2.0
79.05496	51.7
81.03419	96.1
81.07058	48.7
82.03720	1.6
83.04982	31.7
83.08620	35.6
85.02909	20.1
85.06527	5.9
87.04472	32.1
87.68070	1.0
91.03963	1.3
91.05480	47.7
92.05827	2.2
93.07043	37.3
94.07334	1.4
95.04972	39.3
95.08612	21.5
97.02898	10.6
97.06534	10.1
97.10171	17.8
99.04477	14.0
99.08109	1.8
103.05462	1.8
105.04512	4.5
105.07031	32.2
107.04956	20.1
107.08587	19.9
109.02932	1.3
109.06513	9.1
109.10159	66.2
110.10533	1.7
111.04455	13.2
111.08098	13.0
113.06009	2.4
115.05480	2.4
116.04693	1.5
117.07008	7.4
119.08585	26.1
121.02883	2.3
121.06541	5.9
121.10159	15.5
123.04428	1.3
123.08050	3.1
123.11755	1.5
125.05981	1.8
125.09644	13.3
127.03922	2.6
127.07522	1.1
129.05478	3.4
129.06993	17.0
131.04961	2.0
131.08571	18.0
133.06511	4.2
133.10130	15.5
135.04433	2.6
135.08060	3.0
135.11697	11.0
137.05978	1.5
137.09587	5.7
142.07774	2.0
145.06451	1.4
145.10133	11.5
147.08054	4.8
147.11690	17.7
148.12207	1.2
149.05960	1.3
149.09624	9.3
151.11150	1.5
153.12747	16.7
155.08572	2.4
155.10670	2.5
157.10104	15.0
159.11783	1.4
161.05960	1.7
163.11208	16.6
165.12767	5.0
173.09587	3.9
173.11757	18.9
173.13210	1.7
175.11191	15.1
181.12190	12.0
189.09174	1.4
189.11269	3.2
191.10690	8.3
193.12253	55.5
194.12527	1.8
199.13271	10.1
209.11728	7.6
211.13284	59.1
212.13657	2.2
217.14349	2.1
219.13821	2.0
223.13344	1.9
227.12776	26.4
229.14357	64.4
230.14693	2.0
241.14368	3.7
247.13268	7.0
249.14867	2.4
265.14307	2.0
267.15915	60.1
268.16275	3.0
283.15390	22.1
285.16968	40.6
286.17075	1.4
289.14438	1.6
295.15430	1.4
301.16437	4.9
306.27985	2.2
313.16357	1.5
315.18015	7.9
321.16888	2.2
355.22595	1.8
365.21222	1.9
383.22073	4.6
401.23190	3.6
409.25867	4.9
421.25836	23.1
422.26230	1.6
427.26636	5.8
439.26901	77.5
440.27408	6.1
447.27258	1.7
453.20886	1.4
457.25610	2.4
461.29062	14.0
467.26364	2.3
475.26813	16.4
476.27100	2.0
479.30087	1.5
482.93665	1.2
493.27829	8.4
507.29233	2.0
511.29260	1.4
525.30499	11.2
528.94928	1.4
543.31622	4.7
722.36694	1.8
740.38666	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01872	16.8
55.05258	1.9
55.05513	25.9
55.91283	1.3
57.03178	2.0
57.03441	23.8
57.07085	2.0
59.05005	2.3
65.03941	1.9
67.05164	2.6
67.05508	39.5
68.45036	1.4
69.03431	8.0
69.07080	9.7
70.71426	2.4
71.01348	2.0
71.04998	4.7
73.02921	5.0
77.03928	1.5
79.05042	2.6
79.05499	36.5
81.03423	100.0
81.07062	30.2
82.04214	3.2
83.04985	22.8
83.08627	27.8
85.02909	5.8
85.06561	1.9
91.05485	33.0
93.07051	27.4
95.04975	39.0
95.08602	16.0
97.02912	6.8
97.06515	7.0
97.10175	17.5
98.07323	5.0
99.08124	2.7
105.07038	22.6
107.04958	20.8
107.08603	14.5
109.06516	5.8
109.10165	16.7
111.04453	9.5
111.08098	13.0
115.05503	3.1
116.04701	8.8
117.05486	2.3
117.07028	7.6
119.08598	19.9
121.02885	3.7
121.06525	7.4
121.10140	12.0
123.08070	5.8
125.09647	16.5
129.05486	26.5
129.06984	11.4
131.04893	1.9
131.08571	14.3
133.06511	5.1
133.10129	9.3
134.18597	1.4
135.04422	4.9
135.08066	5.8
135.11711	13.8
137.06001	1.9
137.09654	2.5
142.07745	2.7
143.07045	4.8
143.08653	1.6
145.10136	8.6
147.04420	2.8
147.08046	6.5
147.11676	12.9
149.05988	1.8
149.09631	7.0
153.09131	2.9
153.12740	19.6
155.08606	2.3
155.10687	2.3
157.08635	11.8
157.10124	14.6
159.11617	1.8
163.11188	19.2
165.12798	4.2
171.07977	1.4
171.10153	5.6
173.09624	2.6
173.11766	4.8
175.11179	13.2
181.12245	18.6
183.11703	2.3
185.11713	2.1
189.11240	11.9
189.12700	2.2
191.10663	9.8
193.12263	35.7
194.12529	1.8
195.13124	1.4
199.13313	4.7
200.14015	2.0
201.12839	3.2
201.14952	3.9
203.14418	1.5
209.11684	10.3
211.13287	9.8
213.12842	1.5
219.13805	5.0
225.14548	1.2
227.12773	46.3
229.12271	3.3
229.14336	18.6
231.13805	3.1
247.13319	27.0
249.14812	4.1
255.15962	2.1
259.13297	1.9
265.14478	2.5
267.15939	87.5
268.16260	4.6
283.15439	20.9
285.17273	2.2
301.16501	37.2
302.16727	1.7
321.16934	10.3
339.17938	2.4
355.22678	1.6
383.22119	5.0
399.23431	1.6
401.23233	2.7
457.25647	1.7
458.26578	2.8
459.27484	3.5
461.28546	2.7
464.45383	1.4
475.26984	16.3
476.27475	4.1
493.21524	2.3
493.28046	38.6
494.28210	2.0
525.30481	3.2
746.08527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02517	0.3
53.03937	0.9
53.05661	0.3
55.01865	1.5
55.05515	5.7
56.81040	0.4
57.03230	0.3
57.03440	3.8
59.04994	0.7
59.56694	0.3
61.02900	0.4
65.03945	0.4
66.42828	0.4
67.05508	16.6
69.03421	1.2
69.07069	2.9
71.04994	7.4
77.03954	0.6
79.05491	9.2
81.03419	14.2
81.07059	24.5
83.04993	2.0
83.08626	5.5
85.02895	0.6
85.06528	2.9
91.05482	10.9
91.06055	0.5
93.07050	7.8
95.04973	10.0
95.08619	4.8
97.02899	0.8
97.06519	2.4
97.10166	2.6
98.23522	0.6
99.08070	0.5
105.07035	7.7
107.04958	6.1
107.08600	6.2
107.39954	0.4
109.06519	5.3
109.10162	3.7
111.08087	2.2
113.09579	0.4
117.07013	3.1
119.08586	5.0
121.06512	5.5
121.10142	3.8
123.08076	1.6
123.11706	4.1
125.09637	2.5
129.06976	3.0
131.04948	0.8
131.08562	6.6
133.06497	1.5
133.10133	6.0
135.08080	2.2
135.11707	1.7
137.09572	0.5
142.07791	0.5
143.08565	1.6
145.06491	1.3
145.10112	3.0
147.08041	1.8
147.11690	2.8
149.09650	2.2
149.13266	1.2
151.11140	2.2
155.08588	0.8
157.10089	2.6
159.08038	0.7
159.11687	2.3
161.09616	0.8
163.11186	1.4
169.10150	1.0
169.12276	0.4
171.11700	1.0
173.13277	1.6
175.11215	2.1
177.12730	1.3
181.10019	0.5
183.11714	0.8
183.13730	0.6
185.13246	0.7
187.11311	0.4
187.13335	1.0
189.09140	0.4
189.11275	0.9
189.12877	0.4
191.14320	1.5
193.12227	2.9
195.13814	0.5
199.14838	0.8
201.12857	0.9
203.10573	0.5
210.05852	0.4
211.13211	0.5
213.12793	0.5
217.15898	1.1
219.13773	2.6
219.17490	0.5
221.15250	0.4
223.13177	0.6
231.13864	0.4
237.14819	0.5
249.14923	0.8
257.17575	0.8
261.14951	0.4
267.15918	6.8
269.17554	1.0
273.18506	0.8
275.16409	1.2
300.84103	0.4
301.14554	0.4
301.20074	3.6
315.23068	0.6
325.21594	1.3
343.22675	3.2
351.23175	1.1
361.23602	0.6
369.24167	2.1
387.25543	0.9
407.25714	1.0
417.26382	3.4
425.26965	1.4
435.27438	13.2
436.27670	0.8
440.52386	0.4
443.27911	7.8
461.28973	100.0
462.29257	5.5
475.30478	1.5
493.31580	5.1
503.29855	0.5
535.32617	0.4
569.30865	0.6
587.32257	0.5
589.34082	0.4
619.34827	0.6
637.35443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95375	0.3
53.03938	1.6
55.01865	2.6
55.05260	0.8
55.05512	13.1
57.03440	9.4
57.07074	1.3
60.43596	0.3
61.02918	1.5
65.03934	1.8
67.05505	40.4
69.03431	1.6
69.07069	11.7
69.69311	0.4
71.05000	2.4
73.02907	0.9
76.83535	0.3
77.03922	1.0
77.53791	0.3
79.05493	34.4
81.03417	1.3
81.07056	41.2
83.04990	2.9
83.08620	9.1
85.02886	0.9
85.06536	1.7
85.10204	0.3
91.05479	14.2
91.06055	0.7
93.03391	0.5
93.07044	45.0
94.07340	0.3
95.04974	6.8
95.08606	47.4
96.08925	0.7
97.02898	3.0
97.06538	3.5
97.10162	1.8
98.23524	0.8
99.04470	3.3
99.08091	0.8
103.05434	0.4
105.04521	1.6
105.07027	11.1
107.04963	6.7
107.08593	27.4
109.06531	2.0
109.10156	11.4
111.04454	1.2
111.08073	1.2
113.06030	0.3
113.09619	0.6
115.05448	0.5
117.07018	8.5
119.08576	10.5
121.06517	4.5
121.10143	18.0
123.08088	1.0
123.11692	2.1
125.06001	1.7
125.09594	0.5
127.07574	0.4
128.06223	0.4
129.07066	0.4
129.59451	0.3
130.07767	1.1
131.08568	4.2
133.10149	5.5
135.08038	1.5
135.11693	41.0
136.12050	0.6
137.09596	0.8
137.13232	0.8
139.07510	0.8
143.08577	0.8
145.10121	22.3
147.11655	2.4
149.13266	2.7
153.12762	0.5
155.08562	0.4
159.11687	2.2
161.13255	2.0
163.11177	44.6
163.14868	1.3
164.11592	0.6
173.09654	0.5
173.13252	1.6
175.14845	0.8
176.07735	0.4
177.16443	0.4
181.12225	7.3
184.07370	0.8
187.14876	1.0
201.16493	0.4
209.11789	1.3
227.12775	49.0
228.13203	0.9
243.21121	1.8
259.01852	0.4
261.22153	6.9
283.15384	52.5
284.15744	1.0
293.14398	0.4
317.24768	2.0
335.25790	100.0
336.26147	3.1
353.08539	0.4
457.43655	0.3
469.32672	0.4
543.36810	78.3
544.37024	4.0
639.47815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01844	2.1
55.05511	15.2
57.03439	9.6
57.07048	2.2
59.04992	0.5
61.02911	0.7
65.03910	2.0
67.05504	41.8
68.05820	0.5
69.03414	1.2
69.07071	12.3
71.04993	3.2
71.94627	0.5
73.02910	1.4
77.03912	1.0
79.05495	38.1
81.03406	1.8
81.07058	43.1
83.04995	3.7
83.08136	0.5
83.08617	10.6
85.02888	1.6
85.06511	1.7
91.04955	1.0
91.05482	16.3
93.07044	54.3
94.07349	0.8
95.04967	7.9
95.08605	60.0
97.02867	4.2
97.06522	3.2
97.10139	2.4
99.04453	2.9
103.05443	0.9
105.04498	1.1
105.07036	11.0
105.91196	0.7
107.04958	7.8
107.08595	38.6
108.08898	1.0
109.06532	3.0
109.10159	11.7
111.04443	1.2
111.08103	1.4
113.05997	0.9
115.05427	0.9
117.07009	11.0
119.07757	1.0
119.08581	16.1
120.42205	0.6
121.06510	5.7
121.10139	20.7
123.08025	1.0
123.11721	2.7
125.05999	2.9
130.07782	1.9
131.08574	3.8
133.10126	7.7
135.08031	2.5
135.11691	58.6
136.12004	0.8
137.09645	0.6
137.13222	1.6
139.07506	2.3
139.11195	0.6
143.08533	1.4
145.10121	30.5
147.11647	2.7
149.13246	3.7
153.12689	1.1
159.11711	1.6
161.13239	2.6
163.11180	60.0
163.14799	1.5
164.11552	1.1
173.09584	1.2
173.13217	1.9
175.14888	1.0
181.12224	11.2
184.07333	0.7
187.14793	1.3
209.11749	1.7
227.12773	76.4
228.13110	1.7
243.20998	1.8
261.22153	9.6
283.15399	100.0
284.15726	2.3
317.24704	2.8
335.25803	95.2
336.26074	2.9
425.22137	0.6
543.36804	86.3
544.37164	5.2
690.17877	0.7
763.89996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01866	4.8
55.05511	9.2
57.03438	3.7
57.07068	0.8
65.03941	1.1
66.76452	0.4
67.05505	25.4
69.03429	0.9
69.06712	0.9
69.07072	13.6
71.04984	1.6
73.02908	0.5
79.05493	18.0
81.03429	3.7
81.07056	37.6
83.04985	4.1
83.08618	6.9
85.06540	1.5
87.39491	0.4
91.05476	23.5
93.07044	24.6
95.01323	3.2
95.04966	6.0
95.08606	14.6
97.02897	0.7
97.06525	10.1
97.10173	1.5
98.23512	1.1
99.08070	0.8
105.04496	1.1
105.07030	30.2
107.04963	5.7
107.08591	12.5
109.06534	1.8
109.10162	2.7
111.08110	2.4
115.05501	0.7
117.07018	6.8
119.08578	16.5
119.09427	0.9
121.06509	1.2
121.10136	6.3
123.04476	0.9
123.08103	1.1
123.11712	2.4
125.09595	0.9
129.07030	1.2
129.74130	0.5
131.08563	10.4
132.08977	0.5
133.06465	0.6
133.10124	19.4
135.08076	1.6
135.11694	5.8
137.09637	1.3
139.07567	0.7
141.06999	0.9
143.08571	1.4
144.09363	0.5
145.06485	1.0
145.10127	6.9
147.11678	5.8
149.09619	3.0
149.13243	5.6
151.11206	1.3
155.08595	0.9
157.10159	1.2
159.11679	6.4
161.13272	1.6
163.11240	2.2
165.09102	0.7
169.10172	1.1
171.11685	1.1
173.09622	0.6
173.13272	1.5
177.12686	2.3
179.14337	4.9
183.11716	0.9
184.07420	0.7
187.11194	1.1
195.13797	3.5
197.13329	0.5
205.12270	0.6
211.13297	0.8
227.12901	0.6
229.19656	0.7
237.24496	0.5
247.20699	0.7
251.16493	1.4
257.19070	1.8
260.45609	0.5
269.17480	27.0
270.17773	0.5
275.20044	23.3
276.20428	0.5
279.16010	0.7
283.15350	0.9
293.21182	1.3
333.24411	0.5
335.25919	1.7
349.23694	11.8
386.91260	0.5
413.21750	0.7
472.18112	0.5
525.35376	0.6
543.36804	100.0
544.37091	5.9
561.38031	1.0
687.41077	2.7
740.42688	0.6
760.85706	0.6
773.12958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01874	7.0
55.05511	9.2
57.03437	3.9
57.07078	1.3
59.05008	0.4
61.02933	0.4
65.03950	1.0
67.05507	24.0
69.03431	0.5
69.07069	16.1
69.17938	2.2
71.04992	1.9
73.06571	0.4
76.13556	0.3
77.03902	0.5
79.05496	17.9
81.03419	3.4
81.07057	34.9
83.04981	3.9
83.08617	5.8
85.02946	0.7
85.06541	1.6
91.05482	23.5
93.07045	25.0
95.01339	3.9
95.04971	5.3
95.08607	14.4
96.08927	0.5
97.02892	0.6
97.06532	15.5
97.10164	1.8
99.08118	1.0
103.05451	0.5
105.04532	1.2
105.07029	30.5
107.04956	6.0
107.08592	13.2
107.09326	0.5
109.06544	2.0
109.10150	3.7
111.04462	0.5
111.08075	2.7
113.09647	0.5
114.24986	0.3
115.05439	0.5
116.06177	0.3
117.07021	6.7
117.07812	0.5
119.08582	15.6
121.06534	1.3
121.10149	8.6
123.04441	0.9
123.08113	1.7
123.11738	1.1
125.09645	0.7
127.07609	0.4
129.07030	1.3
130.07831	0.4
131.08568	8.1
133.06537	0.5
133.10127	20.1
135.08060	1.7
135.11687	4.4
135.12468	0.4
137.09625	0.8
139.07565	1.1
139.11177	0.7
141.06999	0.6
143.08618	1.0
145.06532	0.7
145.10127	5.9
145.11194	0.4
147.11685	6.4
149.09613	3.0
149.13251	8.8
151.11218	0.8
155.08609	0.7
157.10141	1.3
159.08154	0.6
159.11687	6.2
161.13245	1.8
163.11176	1.9
165.09154	0.6
165.12747	0.6
169.10149	1.2
170.41814	0.4
171.11763	1.1
173.13278	1.1
175.11368	0.5
177.12747	3.3
177.13844	0.3
178.22208	0.4
179.14296	5.1
183.11699	1.0
187.11206	0.9
193.12315	0.3
195.13815	2.8
197.13277	0.5
203.58951	0.3
205.12332	0.5
213.14821	0.5
215.18016	0.3
229.19618	0.8
239.18054	0.8
247.20659	1.2
251.16486	1.0
257.19037	2.7
269.17477	30.5
270.17865	0.8
275.20074	30.7
276.20447	0.9
279.15967	1.5
293.18301	0.4
293.21228	1.5
349.23734	12.7
350.24072	0.6
451.32135	0.4
525.35468	1.2
543.36823	100.0
544.37195	7.1
556.46686	0.5
561.37939	1.1
639.51709	0.4
687.41046	0.8
740.42596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01875	6.7
55.05513	23.7
56.02750	0.7
57.03180	1.2
57.03436	14.2
57.07065	2.5
57.37222	0.8
59.04984	2.4
60.08157	1.7
61.02930	5.8
65.03936	1.4
67.05505	46.8
69.03426	2.5
69.07072	11.3
70.06501	0.7
71.01362	1.6
71.04980	4.7
73.02908	1.6
74.34651	0.7
77.03912	0.9
79.05493	37.1
81.03418	10.5
81.07059	54.3
83.01340	7.2
83.04977	10.5
83.08618	14.3
85.02911	6.2
85.06532	1.7
86.09707	5.1
87.10041	1.9
91.03951	2.5
91.05479	22.2
93.07044	50.6
95.04974	8.6
95.08607	35.7
95.09220	1.7
97.02886	4.5
97.06528	5.7
97.10132	3.9
98.98486	1.0
99.04456	3.0
99.08064	1.6
103.05407	0.9
105.04505	1.9
105.07034	17.4
107.04951	6.3
107.08594	27.2
109.06514	7.4
109.10152	14.8
111.04443	2.1
111.08065	3.0
117.07027	9.0
119.08588	15.5
121.06498	3.4
121.09270	1.1
121.10145	20.6
123.08063	8.3
123.11693	3.9
124.99977	3.7
125.06037	1.3
125.09635	3.0
127.03941	0.8
129.06958	1.5
130.07727	2.0
131.08565	9.3
133.10123	8.2
135.08075	2.1
135.11700	21.7
137.09637	1.6
143.08586	1.2
145.10129	21.9
145.16736	0.8
147.08022	1.9
147.11691	5.3
149.09590	1.3
149.13274	5.8
151.11176	1.0
153.12735	2.6
155.08522	1.8
157.10158	1.4
159.11690	5.1
161.13272	3.6
163.11182	24.7
163.14807	2.7
165.12564	0.9
168.68079	0.9
171.11639	0.9
173.09636	4.3
173.13274	5.2
175.77222	0.8
177.16348	0.8
181.12282	4.7
184.07332	19.3
185.07669	4.2
186.07623	0.8
187.14804	1.8
189.11205	2.2
191.10695	2.4
193.12134	1.3
209.11719	7.2
227.12766	13.7
243.21062	4.4
248.41179	0.8
259.20596	1.7
261.22144	12.0
267.15903	1.3
275.20135	1.1
283.15396	100.0
284.15729	2.6
285.16882	0.9
299.23621	2.8
306.27838	2.2
317.24710	4.2
333.24286	1.5
335.25790	71.9
336.26141	1.8
337.20883	0.8
433.30804	1.3
451.32047	2.9
469.32782	2.4
525.35626	3.0
543.36829	46.5
544.36804	2.9
561.37543	4.0
690.46259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01865	3.4
55.05511	31.0
57.03440	17.4
57.07072	3.8
61.02926	8.3
65.03928	3.4
67.05503	60.8
67.05864	3.3
69.03414	5.3
69.07063	18.1
71.04983	7.4
71.45398	2.9
73.02887	5.3
77.03894	2.8
79.05492	70.1
81.03407	46.7
81.07056	67.1
83.04978	15.1
83.08614	23.4
85.02899	21.9
85.06538	3.8
91.03960	3.1
91.05474	85.9
92.05791	2.3
93.07038	67.0
95.04967	29.8
95.08601	36.8
97.02882	7.1
97.06538	5.4
97.10181	6.8
99.08080	4.4
105.04521	3.6
105.07027	81.2
105.07738	4.1
105.09294	1.9
107.04958	9.6
107.08589	33.4
109.06515	6.6
109.10129	18.5
111.08087	8.5
113.09615	2.2
115.05479	4.0
117.07010	19.7
119.08575	70.3
121.06525	2.4
121.10139	27.4
123.08073	4.6
123.11677	5.1
125.09612	3.0
128.06218	5.0
129.07001	23.8
129.11736	2.2
131.08551	39.8
133.06454	2.6
133.10126	45.4
135.08037	2.7
135.11638	16.2
137.09602	3.1
142.07764	5.1
143.08549	10.3
145.10124	21.1
147.08031	4.8
147.11685	45.4
149.09624	7.3
149.13254	9.2
151.11176	2.7
155.08588	3.6
157.10118	23.1
159.11708	19.9
161.13254	27.2
163.11157	3.7
163.14786	4.8
165.12772	3.2
169.10161	3.9
171.11658	14.0
173.13193	10.8
175.11163	12.0
175.14864	8.7
181.10132	2.5
183.11697	6.1
185.13255	7.4
187.14893	5.2
193.12250	36.2
197.13196	3.1
199.14847	6.6
201.12683	3.0
209.13225	4.0
211.13255	44.8
211.15077	3.5
217.15891	2.8
227.12741	4.3
229.14238	2.9
231.21117	6.3
241.19522	27.8
257.18927	3.7
259.17786	4.0
259.20566	82.0
261.22144	4.8
267.15945	23.5
269.17538	2.2
275.20132	2.5
285.16949	53.7
295.20526	2.5
306.27887	12.5
315.23318	12.5
333.24237	77.3
343.22397	3.0
351.25656	3.4
368.91837	2.2
411.35071	2.7
421.25342	2.4
433.30923	8.9
451.31955	8.0
469.33124	4.2
507.35034	2.9
515.37244	6.0
525.35754	36.9
543.36804	100.0
543.76105	2.2
544.37128	3.0
561.37567	9.2
611.30402	2.4
612.30530	6.1
654.31592	2.6
694.38306	9.0
697.41827	2.1
740.39221	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47915	3.6
52.77604	4.2
53.03934	5.2
55.01873	7.1
55.05508	39.1
57.03439	17.2
57.07070	5.1
61.02934	8.0
67.05505	82.9
67.05859	4.4
69.03438	6.8
69.07076	32.3
71.01371	4.3
71.04990	8.8
73.02919	6.5
79.05493	81.3
81.03423	83.6
81.07053	88.9
83.04963	26.9
83.08615	39.5
85.02901	35.1
85.06527	6.6
91.05479	100.0
93.07041	71.0
95.04967	37.1
95.08607	46.1
97.02917	11.1
97.06545	8.6
97.10194	7.7
105.07034	84.6
107.04977	11.1
107.08613	38.6
109.06528	8.3
109.10173	25.6
111.08099	16.1
113.06057	5.8
117.07007	24.6
119.08581	76.4
121.10158	31.2
123.08099	6.2
129.07021	29.6
131.08566	40.8
133.10132	47.3
135.08034	5.1
135.11697	21.6
142.07774	8.3
143.08571	17.3
145.10159	23.6
147.08038	7.4
147.11685	61.1
147.92274	4.1
149.09633	9.5
149.13293	11.5
151.11275	4.6
155.08588	5.5
157.10112	35.0
159.11736	23.0
161.13225	26.2
165.12773	5.5
169.10187	4.9
171.11691	22.0
173.13286	14.7
175.11214	16.3
175.14850	4.6
177.12749	5.3
181.10194	5.1
184.07442	6.4
184.27391	4.4
185.13310	14.1
193.12221	53.1
199.14839	11.0
211.13280	67.2
211.15105	5.3
231.20978	4.8
241.19482	24.4
257.18881	5.0
259.20590	72.3
260.21054	6.2
267.15930	24.7
269.10840	6.9
285.16949	63.2
306.27908	25.4
315.23059	8.4
333.24231	57.9
433.30887	10.9
451.31961	11.1
469.33182	6.1
487.18393	8.1
515.36896	5.0
525.35718	44.7
526.35614	5.4
543.36865	95.1
544.37140	7.9
561.37646	6.8
612.30524	12.0
694.37946	7.8
740.39307	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.01873	13.9
55.05508	33.6
57.03435	28.5
59.04991	2.2
59.66568	2.1
61.02925	7.2
65.03934	4.6
67.05161	4.9
67.05503	78.8
69.03425	9.3
69.07071	16.6
69.17787	5.6
69.18198	10.3
71.04982	7.3
73.02908	4.9
79.05492	48.1
81.03419	79.6
81.06573	2.9
81.07056	58.1
83.04975	17.7
83.08623	26.8
85.02905	10.4
85.06538	6.5
87.04475	3.0
91.05484	50.9
93.07040	40.4
95.04969	42.6
95.08603	20.2
97.02887	8.3
97.06527	10.9
97.10157	21.6
99.08080	2.6
104.01610	2.1
105.07030	34.1
107.04974	14.2
107.08604	20.3
109.02924	2.9
109.06483	15.8
109.10165	32.2
111.04427	4.5
111.08086	7.2
113.06004	2.8
116.04704	6.7
117.07013	10.1
119.08576	28.2
121.06513	10.0
121.10157	13.9
123.04360	4.6
123.08074	8.6
123.11696	3.5
125.09631	23.3
129.05469	15.1
129.06984	14.7
131.08589	18.6
133.06448	5.3
133.10120	15.8
135.08032	6.2
135.11676	11.1
137.09669	7.2
138.37129	2.2
139.27641	2.7
142.07736	5.4
143.07025	3.9
143.08611	2.6
145.06491	3.9
145.10117	10.6
147.08026	6.6
147.11699	15.0
149.09610	12.1
151.11195	6.9
153.09091	4.2
153.12682	3.5
155.08499	4.5
157.08672	4.4
157.10101	14.2
161.09625	3.3
163.11172	14.3
165.12720	3.3
173.09593	2.7
173.11752	9.6
175.11194	15.1
189.11229	9.9
191.10710	4.2
193.12242	28.0
199.13318	6.2
209.11771	8.3
211.13248	11.9
226.37492	2.2
227.12802	17.9
229.14336	27.0
233.15356	29.8
235.13330	4.0
243.15755	4.1
267.15933	59.4
277.17181	2.2
283.15344	13.0
285.16962	31.4
301.16504	23.4
309.16962	4.3
313.73056	2.5
367.22601	10.5
383.24344	5.3
385.23593	8.8
391.08426	3.0
403.24603	6.9
440.92917	2.7
453.00375	3.6
455.26508	15.0
459.27408	100.0
460.27728	7.7
470.26816	2.8
477.28448	97.0
478.28433	7.7
495.29385	7.4
519.29669	3.5
527.28461	13.9
545.29242	5.6
601.51678	2.7
603.31244	2.9
743.34509	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	742.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
54.57386	0.7
55.01878	4.7
55.05516	14.0
57.03442	9.6
65.03976	0.8
67.05505	17.8
68.21825	0.8
69.03423	3.3
69.07081	4.9
69.92027	2.3
71.05003	4.3
72.48441	0.7
79.05494	23.9
81.03421	47.2
81.07059	18.1
82.03748	0.8
83.04983	5.2
83.08618	13.4
85.02917	1.2
85.06554	1.7
86.06082	0.8
89.51180	0.7
90.57324	0.7
91.05482	15.3
93.07043	16.6
95.04969	21.4
95.08608	10.9
97.02886	2.3
97.06541	4.2
97.10171	13.9
97.10757	1.5
105.04544	1.1
105.07031	13.2
107.04963	17.1
107.08599	12.4
109.02850	0.9
109.06521	16.1
109.10155	5.5
111.04447	1.8
111.08070	4.4
115.05418	1.2
117.07043	4.8
119.04980	1.6
119.08578	11.7
121.06521	10.7
121.10139	9.0
123.04452	1.2
123.08057	4.6
125.06017	1.9
125.09631	11.6
129.05469	1.4
129.07010	7.1
131.04955	1.5
131.08560	10.2
133.06500	2.9
133.10100	5.5
135.08063	6.3
135.11699	2.4
137.05995	1.4
137.09586	1.4
139.11197	2.2
141.07021	2.1
142.07803	1.3
142.90968	0.8
143.08554	2.6
143.41670	0.7
145.06519	5.8
145.10127	5.2
147.04373	1.2
147.08020	4.9
147.11679	6.5
149.09612	5.4
151.11176	1.0
153.09114	3.3
153.12810	1.0
155.08565	2.2
157.06558	1.0
157.10135	5.9
158.09039	0.9
159.08101	1.2
159.11708	1.6
161.05995	1.0
161.09665	2.2
163.11192	4.4
167.10640	1.0
169.10091	1.2
171.08107	2.5
171.11702	1.7
173.09666	2.1
173.13280	3.1
175.11208	5.8
177.12808	1.9
179.08633	0.9
185.09630	1.0
189.09479	1.1
189.11217	6.7
189.12677	1.3
191.14311	3.4
193.12236	17.5
195.11746	1.0
197.13297	1.0
199.11273	1.2
199.13301	1.4
205.12155	1.2
209.11650	1.4
211.13342	3.9
213.12743	1.5
215.14384	1.9
217.12267	1.7
219.13806	9.5
223.13237	1.0
225.12729	1.0
227.12761	2.9
231.13737	1.0
233.15468	3.9
237.12733	1.4
237.14784	1.0
243.13991	0.9
245.15414	1.2
249.14801	1.1
255.13774	1.3
259.15359	5.9
267.15915	36.0
273.14798	5.6
275.16592	1.0
285.17010	2.7
293.17468	4.9
297.43149	1.0
299.14703	0.8
301.16428	1.7
317.15857	1.5
339.23221	1.4
349.21686	5.4
357.24466	1.4
367.22641	11.4
385.23718	16.6
386.23993	1.0
403.24823	7.2
405.24036	0.9
407.30896	0.8
441.26291	7.6
451.27191	4.2
452.28592	0.8
459.27426	100.0
460.27908	5.6
466.77795	0.9
477.28497	94.7
478.28720	5.0
491.30154	10.4
495.29459	8.0
501.28604	1.8
509.30753	2.9
527.28461	2.5
567.29572	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01889	1.6
55.05515	11.3
57.03443	8.7
57.03696	0.8
57.07092	1.6
57.63483	0.5
61.02942	1.8
64.18089	0.5
65.03955	1.3
67.05510	28.6
69.03427	3.0
69.07079	7.2
69.66785	0.5
71.04993	2.5
73.02930	0.7
77.03931	0.8
79.05501	21.0
80.05851	0.6
81.03426	28.1
81.07065	30.1
83.04992	7.1
83.08630	11.5
83.09097	0.8
85.02911	9.8
85.06550	0.8
91.03983	0.6
91.05486	15.5
93.07053	21.2
95.04978	13.8
95.08615	19.9
95.09211	1.1
96.08973	0.7
96.91902	0.5
97.02921	2.1
97.06528	2.9
97.10188	2.6
99.08076	0.7
105.04557	1.4
105.07036	12.8
107.04982	2.6
107.08600	11.7
109.06541	2.9
109.10178	7.7
111.04462	1.6
111.08099	5.9
113.06040	0.9
115.05538	0.6
117.07053	2.3
119.08601	11.4
119.09420	0.8
119.54285	0.5
121.06533	0.9
121.10161	10.2
123.08112	0.9
123.11697	3.1
125.06068	0.6
125.09633	0.9
129.07014	3.9
131.08577	6.7
133.06583	0.7
133.10141	7.3
135.11728	6.1
137.09645	0.9
137.13338	0.8
142.07831	0.7
145.10144	2.8
147.08098	1.9
147.11684	7.2
149.09619	1.9
149.12270	0.6
149.13231	2.8
151.11218	0.8
157.10153	5.5
159.11728	1.7
161.13319	1.6
163.11273	1.5
165.12769	0.8
169.84535	0.5
173.13316	2.1
175.11203	6.8
175.14891	1.0
187.14861	0.7
193.12265	17.4
211.13312	27.4
227.12888	1.7
228.13206	0.8
243.21242	1.6
261.22192	5.3
267.15945	7.4
274.83679	0.5
283.15482	1.8
285.16992	35.1
286.17233	0.7
317.24857	1.7
335.25830	59.6
336.26196	4.5
337.26633	1.5
435.32855	1.0
446.26755	0.6
453.33896	0.7
471.35129	0.7
527.37457	6.4
544.36884	0.8
545.38391	100.0
546.38855	6.2
549.65381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01865	2.4
55.05258	1.2
55.05510	20.8
57.03174	1.4
57.03432	16.9
57.07060	3.3
59.05002	1.2
61.02922	1.9
65.03929	3.6
67.05503	74.4
69.03425	1.6
69.07064	25.0
69.24747	4.4
71.04978	4.8
71.08617	1.7
73.02901	1.9
77.03922	1.7
79.05489	62.7
81.03410	2.6
81.07054	87.0
82.07370	1.3
83.04974	7.7
83.08126	1.0
83.08623	14.6
85.02901	2.8
85.06540	5.2
86.09705	1.3
91.05476	60.6
93.07041	86.5
95.04968	9.3
95.08603	35.2
95.09213	1.7
96.23346	0.9
97.02866	2.0
97.06526	13.3
97.10165	4.6
99.08081	3.6
103.05482	1.2
105.04530	3.9
105.07027	59.1
107.04985	1.7
107.08586	48.0
108.08916	1.1
109.06529	3.7
109.10155	10.9
111.08063	7.1
113.09637	2.3
115.05457	1.5
116.06222	0.9
116.37855	1.0
117.07015	22.4
117.58401	1.0
119.08575	47.0
120.08913	1.1
121.06496	1.8
121.10145	30.5
123.08054	1.8
123.11725	5.7
124.99877	0.9
125.09640	2.6
127.03963	0.8
127.07568	0.9
128.06213	1.5
129.06984	8.0
130.07756	1.1
131.08568	26.2
133.10129	40.1
133.11145	1.9
134.10484	1.3
135.08049	2.6
135.11687	19.4
137.09660	1.0
139.11127	1.8
142.07806	1.4
143.08553	7.4
143.34952	0.9
145.10115	17.4
147.08136	1.1
147.11676	40.9
149.09573	2.0
149.13251	35.4
151.11191	1.6
153.12827	0.9
155.08487	1.5
157.10126	8.1
159.11690	27.4
161.13251	27.4
163.11267	2.0
163.14876	2.0
165.12778	2.5
169.10123	2.0
171.11703	10.5
173.13255	11.3
175.11136	1.2
175.14828	13.3
177.12764	5.6
181.41368	0.8
183.11708	1.7
184.07330	3.6
185.13234	11.1
187.14832	4.0
189.12703	1.9
195.13828	12.5
197.13239	1.3
199.14809	5.2
201.16431	1.3
203.14285	1.2
211.14821	1.1
213.14731	1.5
213.16524	1.8
215.17871	1.4
217.15752	1.1
223.14719	0.8
231.21097	7.8
241.19505	33.8
242.19884	1.1
243.21014	1.6
245.69673	0.8
257.18881	1.7
259.20572	82.8
260.20825	4.2
261.22147	1.8
267.15854	12.8
269.17456	100.0
270.17819	2.9
277.21652	1.5
297.22171	2.3
309.22144	0.9
315.23105	6.6
331.22589	1.4
333.24219	60.0
334.24442	3.2
351.25305	1.1
417.31381	2.2
435.32660	6.7
453.33423	3.1
471.34515	2.5
501.35483	1.1
509.36176	4.2
517.38715	2.8
527.37317	80.9
528.37402	5.3
545.38354	24.0
546.38422	1.1
566.49078	1.0
635.39282	1.5
653.39850	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
54.42833	0.6
55.01867	2.8
55.05511	21.5
57.03440	16.2
57.07071	1.9
59.05005	1.2
61.02925	4.7
65.03939	2.9
65.09002	0.6
65.92644	0.7
67.05505	55.5
69.03424	4.0
69.06705	0.9
69.07067	13.4
71.01292	0.6
71.04987	5.0
73.02923	1.5
75.19151	0.6
77.03926	1.5
79.05493	44.0
80.05827	0.7
81.03419	48.7
81.07057	59.0
83.04980	11.4
83.08621	18.8
85.02907	23.2
85.06552	2.6
91.03955	2.0
91.05480	36.0
93.07046	42.7
95.04968	23.0
95.08606	36.1
97.02894	3.9
97.06509	4.1
97.10168	4.1
99.04465	0.6
99.08103	1.2
105.04507	1.8
105.07031	23.2
107.04948	4.2
107.08595	20.1
109.06516	4.5
109.10158	12.0
111.04437	1.8
111.08082	7.7
113.06042	1.4
115.05423	1.4
117.07037	4.7
119.08587	21.6
121.06497	1.8
121.10139	18.5
123.08079	2.4
123.11715	5.4
125.09661	1.4
127.03908	0.7
129.06990	7.6
131.08565	12.5
133.06502	2.4
133.10138	13.0
135.08035	1.0
135.11705	8.9
137.09628	2.3
137.13226	1.5
142.07800	1.4
143.08714	0.6
145.10130	5.4
147.08073	1.9
147.11674	11.4
149.09631	4.7
149.13278	4.3
151.11198	0.8
157.10120	9.6
159.11696	4.4
161.13281	2.9
163.11214	1.2
163.14819	1.9
165.12778	1.7
169.10161	0.9
173.13249	1.7
175.11176	9.4
175.14833	1.7
175.41489	0.6
187.14857	1.8
189.16319	0.6
193.12248	28.1
201.16425	1.0
211.13292	40.6
227.12579	0.9
228.98978	0.8
243.21133	2.8
249.14786	1.1
261.22150	10.4
267.15900	14.0
268.16370	0.8
269.17432	1.3
285.16962	51.2
286.17178	1.5
301.25223	1.0
317.24841	2.2
335.25803	80.7
336.26181	3.3
435.32672	1.8
453.33749	1.0
509.36282	0.7
527.37280	14.1
528.37500	1.3
536.53687	0.7
545.38373	100.0
546.38788	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.01880	3.1
55.05511	23.5
57.03438	15.6
57.07072	3.6
59.04996	1.4
61.02931	2.5
63.88463	1.1
65.03947	4.2
65.77567	1.1
67.05504	77.3
69.03421	2.3
69.07063	24.6
69.70690	2.0
69.71044	2.8
71.04992	6.8
71.08633	1.9
73.02953	1.7
77.03925	1.2
79.05492	66.1
81.03421	6.6
81.07056	93.3
82.07414	1.3
83.04974	5.1
83.08612	21.7
85.02915	4.2
85.06535	5.7
91.03963	2.1
91.05479	66.8
93.07044	80.2
95.04971	11.2
95.08604	39.7
97.02863	2.1
97.06531	9.1
97.10178	3.3
98.23450	2.1
99.08099	3.4
103.05515	1.8
105.04510	3.3
105.07027	53.4
105.07742	2.6
107.04956	3.0
107.08592	46.2
109.06529	4.0
109.10152	11.3
111.07400	1.0
111.08066	6.2
113.09685	1.2
115.05442	1.7
117.07014	22.4
119.08582	46.3
121.06520	3.0
121.10146	27.5
123.08092	2.0
123.11698	7.9
128.06181	1.4
129.07031	8.5
130.07875	1.3
131.08565	23.6
133.10126	51.7
134.10501	1.6
135.08049	3.9
135.11693	21.9
142.07892	1.4
143.08559	8.3
143.49973	1.1
145.10109	15.4
147.11676	32.4
149.09618	2.9
149.13255	22.0
151.11185	3.0
157.10103	8.7
159.11681	24.2
161.13255	18.8
163.11240	2.5
163.14876	3.7
165.12787	2.3
169.10124	1.5
171.11662	10.6
171.40752	1.1
173.13257	9.3
175.11255	1.7
175.14847	9.7
177.12733	5.8
178.13193	1.3
183.11722	2.5
184.07343	3.7
185.13251	9.3
187.14864	3.6
195.13802	21.4
197.13281	1.6
199.14699	6.0
213.14769	2.3
213.16605	1.9
215.17903	1.3
217.15768	1.3
231.17503	1.2
231.20973	5.5
241.19534	27.7
259.20566	79.3
260.20834	3.2
261.22079	2.4
267.15933	11.8
269.17465	100.0
270.17770	3.5
275.20010	2.1
315.23206	7.4
333.24222	92.3
334.24628	5.0
335.25726	4.1
351.25403	1.6
361.46921	1.4
417.31854	1.3
435.32562	6.1
453.33569	3.1
457.29572	1.2
471.34805	1.7
502.10690	1.2
509.36282	5.1
527.37317	72.0
528.38000	6.5
545.38275	23.9
546.39496	1.2
635.39014	2.1
653.40887	1.6
671.40851	2.0
689.42413	2.0
743.45728	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01872	2.3
55.05253	2.0
55.05507	23.9
57.03432	18.3
57.07064	2.4
58.30672	1.1
61.02921	4.4
65.03940	1.5
67.05499	50.1
69.03425	4.2
69.07059	13.9
71.04995	5.8
73.02899	2.2
79.05486	44.4
81.03413	52.6
81.07054	52.9
83.04984	13.8
83.08615	22.4
85.02898	26.2
85.06534	3.1
87.04449	1.3
91.05474	43.7
93.07040	40.2
95.04439	0.7
95.04966	24.0
95.08601	35.6
97.02891	4.6
97.06526	3.8
97.10139	5.8
99.08131	1.4
105.04520	2.2
105.07027	26.9
107.04954	5.3
107.06150	1.0
107.08589	18.9
109.06510	6.2
109.10150	12.8
111.04472	2.8
111.08089	8.9
112.81976	1.0
113.06001	2.3
115.05483	1.2
117.06985	5.2
119.08569	20.7
120.31484	1.0
120.66763	0.9
121.06554	1.2
121.10150	19.6
123.08052	3.9
123.11694	7.1
125.09650	2.9
129.07013	9.7
131.08563	15.6
133.06512	1.9
133.10127	14.1
135.11679	7.9
137.09613	2.5
142.07794	3.2
145.10098	6.6
147.08075	2.6
147.11674	13.8
149.09619	4.2
149.13228	4.6
157.10117	11.2
159.11667	3.5
161.13208	1.9
163.11131	1.3
163.14839	1.6
165.12775	2.8
167.60277	1.0
169.49066	0.9
171.11670	1.4
173.13280	2.8
175.11183	11.5
175.14799	1.2
175.69714	1.1
187.14847	1.2
193.12233	40.8
197.67496	0.9
207.74858	0.9
208.20384	0.9
208.22610	1.0
211.13278	70.0
212.13522	1.7
227.12970	1.3
233.71791	1.0
243.21072	2.6
243.63243	1.0
261.22125	9.9
267.15878	15.7
285.16943	85.8
286.17343	1.7
299.23892	1.1
317.24707	3.5
332.78812	1.2
335.25778	72.6
336.26031	3.2
435.32614	1.4
453.33542	2.3
471.34644	1.4
527.37372	12.9
545.38324	100.0
546.38489	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
53.05975	0.5
55.01873	1.7
55.05516	12.2
57.03444	8.7
57.07071	1.4
61.02922	2.2
65.03944	1.6
67.05511	28.8
69.03426	2.3
69.07078	7.7
70.74422	0.8
71.04992	2.4
71.17183	0.6
75.42074	0.5
75.78110	0.6
79.05500	24.3
80.05827	0.8
81.03425	35.8
81.07064	28.3
83.04984	8.0
83.08628	18.4
85.02915	12.3
85.06558	1.2
91.05489	19.5
93.07053	24.4
95.04977	15.3
95.05596	0.7
95.08617	19.5
95.09219	1.1
96.08929	0.7
97.02914	2.0
97.06535	3.3
97.10184	2.9
99.04469	0.8
99.08135	1.2
105.04540	2.0
105.07042	13.2
107.04958	2.8
107.08601	12.4
109.06560	3.1
109.10164	7.0
111.04468	1.5
111.08083	5.7
113.06027	0.9
117.07031	2.6
119.06841	0.7
119.08596	12.9
121.06530	1.1
121.10149	10.8
123.08089	2.2
123.11716	3.5
125.09643	1.2
129.07011	5.3
131.08572	7.8
133.06538	1.2
133.10115	7.0
135.08057	1.0
135.11693	5.9
137.09630	0.9
137.13287	0.7
142.07854	1.1
143.08495	0.7
145.10123	3.4
147.08095	1.7
147.11708	8.5
148.12024	0.8
149.09596	3.0
149.13277	2.7
157.10164	6.7
159.11755	2.0
161.13297	1.5
163.11217	1.6
163.14886	0.7
165.12785	1.6
171.11710	0.9
173.13370	1.8
175.11195	8.5
175.14804	0.6
184.07326	0.7
187.14862	1.2
192.18427	0.6
193.12265	24.6
201.16519	0.7
211.13307	39.7
219.97595	0.5
227.12761	2.3
228.13156	0.8
243.21112	1.7
255.62849	0.6
261.22153	5.1
267.15952	8.2
279.19452	0.6
283.15445	2.4
284.15878	1.2
285.16986	43.6
317.24796	1.2
335.25824	49.2
336.26208	3.0
337.26541	1.3
435.32803	0.9
453.33871	1.6
527.37384	9.1
545.38391	100.0
546.38782	4.8
561.18182	0.6
563.39331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01867	0.5
55.05515	1.9
57.03434	1.4
61.02926	4.8
65.03944	0.5
67.05499	5.9
69.03437	2.4
69.07064	1.4
71.01346	0.4
71.05013	0.5
71.08636	0.7
73.02916	3.2
77.58000	0.3
79.05492	5.8
81.03426	1.8
81.07059	5.4
83.04972	1.1
83.08608	0.7
85.02911	4.5
85.21219	0.3
87.04472	0.7
91.03957	3.6
91.05472	3.9
93.07043	5.3
95.04973	1.6
95.08595	4.0
97.02887	4.8
98.22720	1.1
99.04439	0.8
101.02384	2.2
103.03984	0.5
105.04507	0.5
105.07023	2.9
107.08604	2.7
109.02876	0.8
109.10118	1.8
115.03943	0.5
117.06996	0.5
119.08563	2.6
121.10136	1.9
123.11741	0.6
127.03960	1.7
129.07047	0.8
131.08595	1.0
133.10159	0.9
135.11714	1.1
143.08606	0.7
145.04990	0.6
145.10175	0.7
146.37993	0.4
147.11705	1.8
149.13295	0.7
151.11206	0.5
155.97423	0.3
161.09621	0.5
161.13327	0.9
171.11745	1.2
173.13306	0.4
179.14307	0.5
184.07396	0.5
185.04271	0.6
203.05275	0.5
243.08305	1.9
247.13028	1.3
277.21866	0.8
335.25980	0.6
432.70697	0.4
440.80304	0.4
465.20963	7.7
519.29236	5.2
545.38702	0.9
581.38263	0.6
627.45917	0.8
734.41132	0.5
743.43353	100.0
744.43597	6.8
770.88312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25418	0.9
53.03938	3.7
55.01870	9.9
55.05262	2.0
55.05513	29.7
57.03185	2.0
57.03440	28.3
57.07059	2.8
59.05000	1.2
60.08170	1.4
61.02918	3.1
62.97434	0.9
65.03932	4.3
67.05504	86.9
67.36301	1.0
68.05843	1.1
69.03429	8.0
69.06711	2.1
69.07069	37.0
69.23436	6.3
71.01350	4.1
71.04993	7.3
71.07386	1.2
73.02915	2.1
73.06558	1.1
77.03918	1.8
79.05495	78.5
80.05835	1.4
81.03423	14.7
81.07056	71.9
83.04983	16.1
83.08619	14.4
85.02902	5.2
85.06543	6.6
86.09713	6.0
91.05480	50.5
93.07047	85.2
94.07377	1.3
95.04967	15.5
95.08012	2.1
95.08605	29.9
97.02885	3.6
97.06532	25.6
97.09587	1.7
97.10164	21.8
99.04482	1.7
99.08071	4.2
102.62807	0.9
103.05466	1.7
105.04485	2.6
105.06348	2.0
105.07034	32.4
105.07738	2.2
107.04960	9.7
107.08593	58.8
109.02873	1.6
109.06515	5.9
109.10144	12.9
111.08082	6.2
113.05969	1.1
113.09677	1.3
115.05445	1.7
115.06274	0.9
117.07021	18.3
119.06083	1.6
119.08582	26.0
121.06521	5.4
121.10148	20.2
123.08063	3.2
123.11735	2.8
125.00001	3.0
125.09627	7.4
127.03890	2.7
128.06119	1.0
129.05519	1.4
129.07001	4.1
130.07761	2.3
131.08565	14.0
133.06526	1.4
133.10121	23.1
135.08051	5.7
135.11688	63.0
137.09584	3.4
138.00043	1.0
139.07617	1.3
139.11232	1.4
141.06937	2.0
143.08559	3.9
145.06502	1.7
145.10124	25.3
146.10452	1.3
147.07874	1.0
147.11662	9.5
149.09633	15.3
149.13261	8.7
151.11218	2.0
155.08585	1.8
155.20319	1.1
157.10138	4.0
159.11676	10.9
161.13275	3.3
163.11182	15.9
163.14685	1.0
169.10106	2.7
171.11763	2.2
173.04433	2.0
173.09715	1.3
173.11816	0.9
173.13254	4.4
175.11261	1.1
175.14781	1.3
177.06136	1.0
177.12758	3.5
179.14334	2.3
181.12219	13.1
183.11630	2.8
184.07320	15.3
185.13293	1.3
187.11208	1.7
189.11205	4.2
189.12729	1.4
195.13774	5.0
197.13261	1.8
199.09616	1.2
199.13277	2.9
211.14954	1.2
215.14345	1.6
227.12770	14.6
229.19551	2.3
239.17924	3.9
253.14383	2.0
255.15913	100.0
256.16330	2.9
257.19009	12.3
259.20450	1.5
267.16086	1.6
269.17462	14.1
272.47021	1.1
275.20065	37.5
293.21231	1.8
321.24118	1.3
331.22757	2.5
349.23740	24.4
351.21713	1.4
409.25690	3.5
413.21674	1.7
425.25375	7.3
426.25885	1.3
433.29419	3.1
435.27435	26.3
436.27933	1.6
437.30142	1.0
449.28998	96.4
450.29343	4.0
473.28821	1.6
489.32123	1.3
501.35593	2.0
511.34393	2.3
529.35266	56.8
530.35370	4.5
547.36169	11.9
593.32892	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	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
53.07895	2.5
55.01865	7.3
55.05518	13.3
57.03443	11.2
60.08165	4.3
67.05505	63.2
69.03434	4.9
69.07072	24.2
71.04991	11.1
71.07359	3.3
71.45380	2.7
79.05486	37.8
81.03411	5.8
81.07057	51.8
83.04993	9.4
83.08617	7.6
85.02894	5.5
85.06543	9.4
86.09718	26.6
91.05482	61.4
93.07043	47.8
93.07616	5.2
95.04981	8.6
95.08603	24.4
97.02885	3.7
97.06540	6.0
97.10165	3.7
99.08105	2.6
105.07028	67.9
107.08589	46.7
109.06497	9.9
109.10159	63.9
117.07027	11.7
119.08591	39.2
121.10147	17.5
123.08075	3.1
123.11704	8.7
124.54062	2.5
124.99992	18.8
127.07594	3.2
129.06924	5.8
131.08571	15.0
133.10127	100.0
135.08037	6.8
135.11702	11.7
137.09618	6.8
143.08559	5.6
143.18608	2.4
145.10123	10.3
147.11676	19.2
149.09708	2.9
149.13292	6.2
151.11180	32.6
157.10115	6.7
159.11694	10.2
161.13223	12.6
165.09105	18.1
169.12286	3.2
171.11725	7.8
173.13155	4.7
175.14890	4.8
181.12244	2.7
183.11653	3.0
184.07339	77.8
185.13251	4.5
191.14355	3.7
215.12758	5.2
218.60538	2.8
231.21162	3.1
241.19585	13.0
253.14360	84.7
254.14702	2.7
259.20578	47.0
271.15417	57.6
272.07269	3.1
275.20135	5.6
277.21606	5.9
315.23044	4.2
333.24240	37.1
334.24692	5.5
338.51712	2.7
351.25418	5.7
434.69907	2.9
511.34048	15.8
515.33685	5.9
529.35254	40.4
547.36334	26.4
637.37024	3.2
744.43860	6.9
745.37915	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	744.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01878	5.2
55.05510	16.6
57.03182	0.9
57.03438	14.8
57.07066	3.0
61.02912	2.7
65.03938	2.3
67.05503	58.0
68.05846	0.8
69.03441	3.9
69.07066	21.0
69.66231	3.0
71.01343	3.0
71.04996	5.1
72.47411	0.6
73.02904	1.1
77.03944	1.0
79.05492	50.5
81.03410	9.1
81.07056	48.1
83.04979	11.6
83.08623	9.2
85.02918	3.8
85.06537	4.6
86.09706	3.1
91.03958	0.7
91.05480	29.4
93.07042	62.5
95.04971	10.1
95.08599	18.1
97.02885	2.3
97.06531	15.3
97.09573	1.2
97.10159	11.0
99.04454	1.6
99.08099	3.0
105.04500	3.3
105.07024	16.2
107.04961	5.4
107.08592	39.7
108.08922	1.0
109.02901	1.4
109.06518	4.3
109.10143	9.3
111.08082	4.4
113.09631	0.9
115.05451	1.2
117.07024	10.8
119.08577	16.7
121.06495	3.0
121.10139	13.8
123.04451	0.8
123.08054	2.8
123.11720	2.8
125.00021	2.5
125.09620	2.9
127.03918	1.6
128.06137	1.0
129.07014	2.3
130.07724	1.0
131.08568	9.0
133.06503	0.8
133.10129	13.3
135.08080	4.0
135.11688	43.3
136.12038	1.2
137.09631	2.7
141.06999	0.9
143.08572	1.5
145.10117	14.4
145.20612	0.8
147.08018	0.9
147.11714	5.2
149.09605	5.8
149.13257	8.2
151.11198	1.5
153.12718	1.3
155.08574	1.2
157.10147	2.2
159.11687	7.3
161.13239	1.6
163.11165	9.3
169.10127	0.9
171.11708	2.3
173.04424	1.4
173.13239	2.4
177.12752	2.8
179.14204	1.5
181.12228	9.5
184.07339	10.1
187.11137	0.9
195.13763	3.8
197.13367	0.8
199.13307	2.5
208.07835	0.7
227.12791	1.9
229.19501	0.8
239.17976	2.2
247.20586	0.9
251.16473	0.7
253.14328	1.2
255.15901	62.4
256.16345	2.0
257.18939	4.4
263.20193	1.2
267.15878	1.2
269.17453	15.8
270.17609	0.8
275.20047	15.4
285.16971	1.2
293.21286	1.1
331.22791	1.1
349.23740	9.3
367.24942	1.8
392.79034	0.8
409.25720	1.0
425.25229	1.2
431.27832	1.6
435.27463	20.7
436.27591	1.5
449.28979	100.0
450.29449	5.7
465.28177	0.8
489.31894	0.7
529.35254	21.5
530.35938	1.2
547.36316	7.8
593.33368	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	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01866	2.2
55.05511	16.4
57.03437	13.6
57.07069	2.5
60.08158	5.1
60.76262	0.8
61.02921	3.7
65.03944	2.1
67.05502	71.1
68.05840	1.2
69.03420	2.4
69.07066	18.3
71.04993	7.1
71.07381	2.2
72.66943	0.9
73.02907	1.6
79.05490	41.0
81.03417	5.6
81.07053	100.0
82.07382	1.5
83.04979	6.5
83.08618	11.8
85.02908	4.3
85.06534	6.9
86.09702	21.0
91.03983	1.1
91.05477	27.4
91.38058	0.9
92.05848	0.9
93.07041	48.4
94.07362	1.8
94.30045	0.9
95.04961	7.7
95.08602	35.1
97.02869	2.2
97.06526	8.3
97.10162	2.4
98.98448	2.3
99.08121	1.5
104.10757	1.5
105.04524	1.9
105.07023	13.9
107.04945	1.4
107.08586	29.2
108.08881	1.1
109.06517	3.0
109.10146	15.6
111.08071	3.9
113.09631	1.2
117.07005	9.0
119.08582	9.6
121.10133	18.8
122.10426	0.8
122.39439	0.9
123.08068	2.2
123.11702	11.2
124.99996	13.9
125.09646	1.0
131.08559	13.2
132.08904	1.3
133.10121	15.7
135.08069	2.7
135.11670	13.3
137.09644	0.9
137.13272	1.5
143.08530	0.9
145.10118	4.8
147.11703	3.8
149.09578	1.1
149.13243	16.8
151.11137	3.8
153.09010	0.9
157.10168	1.4
159.11687	11.6
161.13278	3.8
163.14812	1.8
169.12248	1.3
173.04541	1.5
173.13269	3.0
175.14774	1.2
177.12666	4.3
178.15193	0.8
179.14215	1.0
184.07332	61.3
185.07826	1.0
187.13292	6.2
187.14745	1.5
193.12257	1.0
195.13838	5.2
205.20760	0.9
213.14841	1.7
241.14406	1.5
243.15913	22.7
243.21085	1.5
261.22116	9.8
267.15823	1.7
269.17474	29.1
285.17117	1.7
287.18521	26.4
287.23508	1.8
317.24826	1.3
335.25793	53.4
336.26050	3.5
431.23126	1.0
492.86877	0.9
503.37283	92.2
504.37347	3.0
521.38403	1.9
529.38855	10.2
546.38727	1.9
547.39880	43.7
548.40155	2.0
685.36530	1.3
691.43420	1.5
692.34711	1.0
744.39032	2.8
744.49121	1.8
745.41107	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	744.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26782	0.8
53.03945	1.9
54.54179	0.9
55.01886	1.5
55.05506	19.8
55.35353	0.9
55.72003	0.8
57.03434	12.2
57.06842	0.8
57.07087	3.6
59.05000	1.4
60.08156	4.6
61.02935	3.6
65.03948	2.6
67.05501	76.2
69.03451	2.2
69.07065	16.1
71.04991	7.1
71.07386	3.6
73.02927	1.8
73.58239	0.7
77.03954	1.1
79.05489	36.5
81.03439	3.5
81.07053	100.0
82.07414	1.4
83.04981	6.3
83.08614	12.4
85.02890	4.0
85.06534	9.6
85.10150	0.9
86.09703	26.7
86.10208	1.6
91.05473	23.1
93.07041	49.2
94.07377	0.9
95.04968	6.3
95.08603	36.0
95.09204	1.8
97.02898	1.7
97.06535	7.9
97.10205	2.5
97.35875	0.9
98.22717	2.7
98.98492	3.1
99.04514	0.9
99.08107	2.8
101.06091	0.9
104.10777	2.5
105.04534	2.4
105.07028	14.0
107.04993	1.0
107.08591	29.0
109.06538	2.0
109.10149	12.3
111.08088	5.2
117.07008	9.4
119.08569	11.5
121.06522	1.7
121.10132	15.8
122.10590	0.9
123.08072	1.7
123.11716	11.0
124.99998	18.2
125.09647	1.3
127.65721	1.0
129.07047	1.3
131.08569	12.6
133.10121	17.3
133.11017	1.3
135.08118	1.4
135.11690	13.2
137.09633	0.9
137.13251	0.9
139.11171	1.2
143.08563	1.1
145.10184	3.5
147.11681	4.7
149.09601	1.1
149.13258	14.9
151.11249	3.7
157.10120	1.6
159.11678	13.1
161.13252	4.2
163.14859	2.5
169.12277	1.8
173.13339	2.4
175.14815	1.0
177.12817	3.2
184.07332	89.0
187.13354	5.5
187.14763	1.3
195.13805	8.0
199.52747	0.9
211.13333	1.4
213.14948	3.6
241.14439	2.6
241.18103	0.9
243.15891	26.4
243.21191	3.4
261.22153	8.6
267.16037	1.8
269.17468	22.1
285.17032	1.5
287.18515	42.6
287.23645	1.8
288.18893	1.2
317.24789	1.7
335.25772	44.6
336.26147	3.2
337.26642	1.6
361.27560	1.4
455.34863	1.3
503.37286	97.6
504.37903	6.5
509.38284	1.1
521.38446	1.3
529.38806	11.3
546.38745	1.6
547.39893	40.8
548.40033	1.4
657.00653	1.0
691.44055	1.8
744.48450	5.4
745.40881	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01869	1.4
55.05256	0.8
55.05512	14.1
57.03172	0.9
57.03436	8.8
57.07074	2.0
59.04996	4.0
61.02927	2.4
61.26670	0.5
65.03931	2.9
67.05504	100.0
68.05818	0.8
69.03431	3.4
69.07070	13.8
69.07968	1.1
69.08374	3.5
71.04992	19.8
73.02921	0.7
73.74892	0.5
79.05492	36.3
81.03409	4.5
81.07056	46.1
83.04969	4.5
83.08619	11.0
83.70558	0.6
85.02916	3.5
85.06565	3.9
87.04469	0.6
91.03947	1.4
91.05481	23.8
93.07046	45.0
94.07383	1.1
95.04969	5.2
95.08606	35.3
97.02898	2.3
97.06523	5.3
97.10166	3.3
98.11829	0.5
99.08115	1.8
103.05508	0.6
105.04536	1.8
105.07030	11.3
107.04980	0.9
107.08600	21.9
108.08942	1.0
109.06541	1.7
109.10156	67.2
110.10503	1.5
111.04485	0.7
111.08084	4.1
117.07014	6.2
119.06062	0.7
119.08581	18.6
121.10143	19.2
121.10979	1.2
123.08109	1.6
123.11703	3.3
127.03960	0.6
127.11301	0.5
129.06975	1.0
131.08580	8.3
133.10143	9.3
135.08064	0.7
135.11693	16.9
137.09616	8.4
137.13222	0.7
139.11169	0.9
143.08560	0.9
145.10118	7.0
147.11681	4.0
149.13271	3.1
151.11148	0.7
155.10628	3.8
157.10190	1.0
159.11711	3.0
161.13272	3.4
163.11211	3.1
163.14868	1.3
165.12746	1.1
169.12296	1.6
171.11604	0.6
173.11761	8.3
173.13278	3.2
175.11159	0.6
175.14835	1.7
181.12256	1.9
184.07411	1.8
185.13304	0.7
187.13280	1.1
187.14819	1.0
193.12257	1.2
211.13258	1.8
213.14760	1.1
229.14354	0.7
243.15987	1.9
255.15891	4.7
259.20596	0.9
261.22171	3.1
267.15891	1.0
269.17593	0.9
283.38263	0.6
285.16965	3.7
287.18524	18.2
317.24799	1.4
333.24246	0.9
335.25809	26.2
336.25992	1.4
337.27118	2.0
345.03503	0.6
397.31027	1.5
423.32626	0.9
471.34818	2.2
482.51627	0.7
489.35736	91.8
490.36124	4.6
497.36343	0.9
503.37262	2.5
515.37262	12.0
529.38422	1.6
533.38617	0.9
547.39923	81.3
548.40063	4.5
556.85992	0.6
744.45508	1.7
745.41040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01876	3.0
55.05516	20.3
57.03445	14.6
57.07079	3.2
61.02937	4.3
61.28922	0.7
65.03940	1.9
67.05510	54.7
67.14453	0.9
68.02414	0.8
68.05846	1.1
69.03432	4.3
69.07078	20.7
71.04997	5.0
71.08644	1.5
73.02926	2.0
74.78257	0.7
79.05502	25.8
81.03423	36.3
81.07064	55.6
82.07398	1.5
83.04985	10.0
83.08627	23.5
85.02911	18.4
85.03414	1.2
85.06558	2.7
85.10164	0.9
86.09711	2.4
91.03963	2.1
91.05489	27.0
93.07053	24.5
94.07438	1.2
95.04971	17.9
95.08616	39.2
97.02914	5.9
97.06528	5.7
97.10178	7.6
99.04507	0.9
99.08115	1.9
105.04535	1.1
105.07042	17.8
107.04974	5.0
107.08602	13.2
109.06548	2.9
109.10165	17.8
111.04462	1.9
111.08089	6.8
111.11730	0.9
113.06001	1.1
115.05469	1.4
115.77857	0.7
117.07021	2.8
118.50372	0.7
119.08595	16.9
121.06621	0.8
121.10142	12.5
123.08092	2.4
123.11708	7.2
124.99979	1.2
125.09695	0.9
127.03926	1.2
127.07545	1.1
129.07027	6.1
131.08565	8.9
133.06503	1.5
133.10133	11.6
135.11685	5.6
137.09595	1.6
137.13214	1.6
145.10165	2.7
147.08076	1.9
147.11697	11.5
149.09633	3.5
149.13284	2.5
157.10133	9.2
159.11743	1.2
161.13281	2.5
163.11263	1.8
163.14841	1.4
165.12788	1.8
173.11763	1.1
173.13194	1.2
175.11221	7.6
175.14836	2.7
184.07365	5.9
193.12263	23.6
194.12630	1.3
211.13300	32.4
225.91656	0.8
243.08447	1.2
245.22789	1.7
261.22314	1.1
263.23752	2.9
267.15906	11.3
268.16345	1.1
269.17419	1.0
285.16980	40.3
286.17325	3.1
287.18362	1.3
335.25882	5.4
336.26227	1.4
337.27386	67.8
338.27679	1.5
378.59097	0.8
442.90024	0.8
465.35483	1.0
467.18994	1.9
475.33755	2.2
489.35822	4.1
503.37677	0.9
519.28644	1.8
529.38898	13.4
545.37903	0.9
546.38684	1.4
547.39948	100.0
548.40277	4.2
685.40326	0.9
744.45850	3.1
745.41199	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	745.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06599	0.3
56.96569	0.6
61.02932	0.5
66.86313	0.4
73.02912	0.5
77.16720	0.3
79.05502	0.6
81.03438	0.4
81.07059	0.4
85.02899	0.6
98.23083	0.4
98.97655	0.7
112.99168	0.9
130.92598	0.4
131.00226	0.4
199.06523	0.4
251.09561	0.6
267.09048	6.3
283.25528	0.4
285.10144	4.2
303.74716	0.4
309.10202	1.1
370.07114	0.4
467.15958	0.6
469.20160	0.5
485.17075	4.8
501.22839	0.7
517.20526	0.6
667.32983	2.5
668.33575	0.4
677.28564	0.6
745.34216	100.0
746.34540	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	745.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05513	1.6
57.03430	1.7
61.02931	4.2
65.03952	0.4
67.05508	3.2
69.03427	3.7
69.07083	1.3
70.06609	0.8
71.01363	0.4
71.04984	1.6
73.02922	2.7
79.05480	2.7
79.90409	0.3
81.03424	4.6
81.07056	3.3
82.07459	0.4
83.04985	1.2
83.08631	1.3
85.02903	5.1
85.06538	0.5
87.04498	0.4
91.03941	2.4
91.05483	2.9
93.07040	3.3
95.04963	2.0
95.08620	1.2
97.02875	3.9
97.06573	1.1
97.10178	0.4
98.22703	0.9
99.04486	0.9
99.08096	0.3
101.02398	1.8
103.03953	0.5
105.07060	1.2
107.04984	0.7
107.08604	1.6
109.02876	0.6
109.06532	0.6
109.10154	0.6
111.04434	0.5
117.07015	0.6
119.08620	1.6
121.06626	0.4
121.10137	2.4
127.03936	1.3
129.05568	0.4
129.07036	0.6
131.08621	1.4
131.54703	0.3
132.93121	0.3
133.10175	1.1
135.11736	0.6
139.11269	0.4
145.10089	0.8
147.11743	0.7
149.09674	0.9
157.10164	1.0
163.11160	0.7
173.09703	0.3
175.11269	1.0
184.88464	0.3
185.04277	0.7
191.10751	0.3
193.12244	1.6
209.12022	0.3
211.13428	0.9
225.10692	0.4
243.08443	2.8
251.12711	1.5
260.14911	0.4
267.11978	1.6
267.16074	0.6
283.15274	0.4
285.17032	0.6
299.14835	1.3
427.19339	0.7
439.19986	0.4
441.17575	0.9
443.19189	0.6
457.20779	1.2
460.26868	0.3
469.20358	7.6
469.26382	0.6
485.19910	5.8
499.21985	0.4
501.22836	1.9
517.22406	2.2
685.34479	1.1
706.68988	0.4
713.33496	6.3
714.33862	0.4
727.35284	0.7
745.36200	100.0
746.36700	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	745.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
57.03442	2.0
61.02921	3.3
67.05524	1.4
69.03450	2.0
71.04991	1.0
73.02935	3.0
79.05522	1.2
81.03427	3.6
81.07079	1.9
83.08662	0.8
85.02917	3.4
91.03960	2.6
91.05499	1.1
93.07049	1.2
95.05044	0.6
95.08640	0.6
97.02907	2.5
98.22721	1.4
98.23411	2.2
99.04466	1.1
101.02405	1.1
105.07068	0.9
107.08617	1.2
109.02930	0.7
109.60983	0.5
117.01081	0.6
119.08566	0.6
121.10176	1.8
127.03957	1.1
129.05496	0.8
131.08560	0.6
138.47639	0.5
145.04910	0.7
147.11742	0.6
149.09683	1.0
149.26596	0.6
157.10107	0.5
171.25591	0.6
181.04796	0.9
185.04257	3.2
189.77419	0.5
193.12311	1.6
199.05815	0.5
201.03705	0.7
207.13651	1.0
211.13501	0.6
221.26833	0.5
241.06854	0.8
243.08553	2.1
251.12544	0.7
259.08173	0.8
265.14203	0.9
267.15964	0.5
283.15158	7.2
301.08984	11.5
309.16882	1.9
315.10446	2.6
323.18329	2.6
339.17984	0.8
343.13849	1.0
367.17593	0.8
373.11041	4.0
381.18948	4.8
383.16776	1.1
385.18353	5.7
395.20651	1.0
399.20105	2.3
427.19467	6.1
429.17572	1.1
443.18768	1.4
444.19589	1.0
457.20749	1.1
465.28418	2.4
467.18906	0.7
469.20663	2.6
472.00952	0.8
483.22705	0.8
485.19754	1.3
499.21469	3.5
501.23285	13.7
502.23611	0.7
511.28873	1.4
517.22528	0.8
529.22656	12.2
530.22998	1.0
545.22028	0.9
573.25256	9.4
585.29517	0.7
587.27020	2.3
601.28455	2.9
613.32361	1.3
615.29791	2.0
641.31622	3.0
643.33203	3.7
657.33679	0.6
673.34576	0.8
685.34442	0.9
727.34906	2.6
745.36072	100.0
746.36383	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	745.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58736	0.6
55.05526	0.8
66.54406	0.5
67.05505	1.2
69.07071	0.6
70.20611	0.6
71.45232	0.6
75.92883	0.6
75.97469	0.5
79.05531	0.8
81.03436	1.1
81.07062	0.6
86.09718	1.1
86.36599	0.6
88.57283	0.6
89.40496	0.6
91.05515	1.2
91.26658	0.6
93.07023	1.1
95.08610	0.6
105.07062	1.0
110.06905	0.7
119.08560	0.7
123.26827	0.5
125.00017	1.1
133.10124	0.8
158.97221	0.6
165.09047	0.6
184.07339	5.9
185.07658	0.6
187.45535	0.6
478.68964	0.6
501.21100	0.8
745.37689	100.0
746.38257	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	745.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05508	1.0
55.93928	0.3
57.03434	1.5
59.05008	0.8
59.48219	0.3
61.02929	3.4
67.05494	3.1
68.89807	0.3
69.03434	2.7
69.07076	0.6
69.30549	1.6
71.01369	0.6
71.04998	3.4
73.02915	2.8
79.05486	2.0
81.03418	2.4
81.07058	4.3
83.04984	0.6
85.02919	4.0
85.06548	0.5
87.04477	0.6
91.03947	2.0
91.05490	3.1
93.07057	2.1
95.04978	1.1
95.08630	1.4
97.02898	3.5
97.06561	0.6
99.04430	0.4
101.02399	1.3
103.03971	0.5
105.07011	1.8
107.08585	1.6
109.02914	0.6
109.10173	0.7
117.87055	0.3
119.08610	0.8
121.10170	1.2
123.08021	0.4
123.11748	1.0
127.03952	1.4
129.07002	0.4
131.08592	1.2
133.10138	2.0
147.11705	0.9
149.09662	1.4
149.13289	0.4
151.11218	0.8
157.10208	0.7
175.11212	0.7
183.13887	0.4
187.13365	0.4
193.12291	1.2
195.13965	0.5
203.05188	0.5
225.14883	0.6
234.58388	0.4
243.08469	2.2
256.55545	0.4
257.17621	0.9
267.15805	1.7
283.15219	4.2
323.18359	0.6
339.17844	0.9
405.25403	0.4
449.98975	0.4
469.19910	0.4
478.39810	0.4
485.23669	10.0
486.23999	0.6
501.23074	10.4
502.23746	0.4
660.07355	0.4
745.39844	100.0
746.40204	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01887	0.5
55.05508	1.3
57.03435	1.1
61.02927	3.4
67.05505	4.8
69.03439	2.2
69.07069	3.1
69.18148	0.2
71.01347	0.4
71.05006	0.5
73.02916	3.0
76.58466	0.3
77.03951	0.2
79.05499	3.7
80.17558	0.3
81.03416	1.6
81.07058	5.5
82.40403	0.2
83.04993	0.7
83.08624	0.9
85.02905	3.5
85.06503	0.3
87.04479	0.3
91.03952	2.2
91.05487	2.9
93.07042	4.1
93.07593	0.3
95.01360	0.6
95.04982	0.9
95.08611	2.2
97.02896	3.1
97.06527	1.1
99.04464	0.9
101.02386	1.5
103.03963	0.3
105.07027	2.6
107.04991	0.9
107.08594	2.3
109.02887	0.7
109.10164	0.6
111.08115	0.7
115.03944	0.3
117.07027	1.4
119.08574	1.7
121.10139	1.8
123.08047	0.3
127.03908	1.3
131.08583	1.2
132.04114	0.2
133.10147	1.9
135.07976	0.3
135.11699	1.1
145.10162	0.6
147.11725	0.6
148.58751	0.3
149.09668	0.8
149.13275	2.8
157.10118	0.3
159.11696	1.5
163.11256	0.3
169.10249	0.3
173.13507	0.2
177.12785	0.5
179.14351	0.8
184.07414	1.0
185.04210	0.5
191.14188	0.2
203.05266	0.4
229.36298	0.3
235.13063	1.3
243.08405	3.0
253.89311	0.3
269.17667	0.5
275.20135	0.5
285.18115	0.2
291.15759	0.6
315.19272	4.3
316.20004	0.3
371.21973	0.8
453.20969	9.5
533.27197	7.8
534.27429	0.4
583.35931	0.3
708.26611	0.2
745.41278	100.0
746.41626	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	745.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.3
55.05517	1.5
57.03434	1.5
59.05006	0.3
61.02929	3.9
67.05504	5.0
69.03429	3.1
69.07067	2.6
71.05025	0.6
73.02916	3.4
79.05488	3.2
81.03413	1.5
81.07058	5.8
83.04987	0.7
83.08625	1.4
85.02905	4.6
85.06551	0.3
85.33624	0.2
88.94352	0.2
91.03960	2.3
91.05486	2.4
91.82328	0.3
93.07043	4.6
95.01350	0.3
95.04988	0.8
95.08611	2.1
97.02900	3.6
97.06510	1.2
97.10200	0.2
97.35788	0.2
98.23421	0.7
99.04471	0.8
101.02380	1.2
103.03992	0.3
105.04543	0.3
105.07018	2.2
107.04980	1.0
107.08593	2.1
109.02858	0.5
109.06546	0.4
109.10145	0.5
111.04443	0.3
111.08074	0.5
112.06643	0.2
115.03925	0.3
116.91160	0.2
117.07013	1.1
119.08580	1.5
121.06577	0.5
121.10120	0.8
123.08091	0.3
123.11699	0.3
127.03942	0.9
131.08557	1.3
133.10121	2.4
135.11691	1.2
143.08571	0.3
145.05002	0.3
145.10175	0.7
147.11731	0.8
149.09624	0.8
149.13248	1.1
159.11732	1.0
161.13319	0.4
161.66814	0.3
163.11249	0.3
169.10158	0.3
177.12782	0.5
179.14325	0.6
184.07399	0.9
185.04251	0.7
195.13852	0.9
197.04501	0.2
203.05293	0.3
205.12170	0.2
235.13123	0.7
243.08412	2.9
269.17480	0.6
275.20096	0.7
291.15616	0.5
308.19397	0.3
315.19284	4.4
315.22656	0.4
371.21964	0.8
453.14703	0.5
453.20950	8.5
454.20724	0.3
533.27264	7.0
745.41272	100.0
746.41650	7.0
746.55225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
53.37793	0.2
55.01870	0.5
55.05512	1.8
56.05841	0.1
57.03442	1.9
57.07102	0.2
60.08168	0.5
61.02932	5.4
65.03960	0.4
67.05510	6.7
68.05854	0.4
69.03434	3.1
69.07063	1.3
71.01362	0.5
71.05005	0.4
71.07378	0.3
73.02924	4.0
79.05501	3.9
80.05821	0.3
81.03423	1.7
81.07063	6.9
82.07407	0.3
83.04990	0.6
83.08613	0.8
85.02914	5.5
85.03415	0.4
85.06557	0.3
86.09724	2.6
87.04501	0.4
87.10034	0.2
88.22830	0.2
91.03966	3.4
91.05488	2.3
93.07052	4.9
94.07399	0.3
95.04996	0.9
95.08611	4.9
95.09218	0.3
96.08997	0.2
97.02905	4.7
97.06578	0.3
97.10151	0.3
98.23468	0.5
98.98492	0.3
99.04475	0.8
101.02386	1.8
101.02921	0.2
103.03961	0.5
105.07053	1.3
107.04980	0.3
107.08598	3.1
107.09260	0.3
108.08964	0.3
109.02896	0.7
109.06541	0.3
109.10162	1.8
111.08066	0.2
115.03918	0.4
117.07037	0.8
119.08575	1.1
121.06549	0.3
121.10131	2.3
123.11731	0.5
125.00012	2.1
127.03911	1.3
131.08598	0.6
133.10185	0.8
135.11693	2.6
135.12614	0.2
136.74182	0.2
137.13258	0.2
141.52094	0.2
145.04996	0.2
145.10130	1.2
147.11673	0.4
149.13332	0.6
159.11731	0.4
161.13213	0.2
163.11197	1.9
163.14914	0.2
173.13261	0.3
181.12300	0.3
184.07353	8.0
185.04210	0.7
185.07764	0.8
187.14833	0.2
200.53831	0.2
203.05325	0.4
219.09950	0.3
227.12808	1.3
243.08408	2.3
243.15968	0.3
249.11003	11.5
250.11311	0.2
261.22113	0.3
269.17606	0.3
287.18671	0.4
305.13599	1.3
335.25876	1.4
336.26385	0.5
467.18909	5.0
470.36627	0.2
503.37357	0.5
504.37744	1.1
519.29352	8.4
520.29681	0.2
539.00964	0.2
547.40027	0.3
548.39978	0.9
583.35803	0.4
583.44342	0.4
742.62689	0.2
745.41309	100.0
746.41675	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97898	0.2
53.03944	0.6
55.01883	0.3
55.05514	1.2
56.39748	0.2
57.03429	1.7
57.07059	0.3
61.02926	5.2
65.03956	0.4
67.05502	4.5
69.03433	2.9
69.07072	1.1
69.39223	0.7
69.39624	0.5
71.04993	0.5
73.02916	4.0
78.85664	0.2
79.05488	3.4
81.03423	1.6
81.07055	4.5
83.04999	0.5
83.08617	0.7
85.02902	4.7
86.09717	0.6
87.04478	0.4
90.47372	0.2
91.03953	2.9
91.05477	1.7
93.07043	4.8
95.04951	1.3
95.08606	5.6
97.02894	4.6
97.06541	0.4
99.04466	1.1
101.02384	2.2
103.03930	0.5
105.07028	1.4
107.04964	0.5
107.08583	3.3
109.02840	0.4
109.10167	1.3
115.03951	0.4
117.07047	0.9
119.08569	1.3
121.06519	0.5
121.10126	2.3
125.00002	0.5
127.03928	1.2
131.08598	0.8
133.10172	0.9
135.08131	0.5
135.11684	4.5
145.04944	0.4
145.10132	2.7
147.11693	0.4
149.13260	0.4
161.13211	0.2
163.11176	5.2
163.12431	0.4
179.72292	0.3
181.12251	0.9
184.07324	1.4
185.04230	0.8
203.05186	0.4
212.13504	0.3
219.09929	1.0
227.12796	4.0
243.08443	3.2
249.10973	12.6
259.07932	0.4
305.13559	2.8
335.25735	0.8
374.77292	0.3
467.18869	13.9
519.29327	6.6
520.29523	0.3
583.35889	0.7
686.32776	0.3
745.41266	100.0
746.41522	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	746.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85100	0.7
53.03949	3.0
55.05502	1.6
57.03437	1.2
58.80061	0.7
66.03897	0.8
67.05501	15.5
67.76082	0.8
69.03422	7.5
70.06584	1.2
71.04992	8.8
71.44930	0.9
79.05480	2.3
81.02960	1.5
81.03413	22.2
81.07056	8.7
85.02921	3.6
89.02386	1.2
91.05480	3.0
93.07042	4.5
95.04977	6.1
95.08606	5.2
97.02885	5.2
97.06572	0.8
99.04454	3.2
107.08560	2.7
109.02874	25.9
109.06523	2.0
109.10152	47.0
111.04411	2.5
113.05972	4.2
119.08571	3.2
121.06463	0.8
121.10129	1.4
123.04397	0.7
125.02300	1.0
125.06008	1.9
127.03020	1.3
127.03917	18.2
129.07016	0.8
131.07027	7.0
135.08006	1.5
137.09608	99.9
138.09904	1.6
139.03888	0.7
153.01814	0.8
155.10683	5.4
163.07530	1.1
165.09111	100.0
166.09457	1.8
177.05438	1.5
183.10150	9.2
189.05550	0.7
201.11235	9.9
217.04900	2.3
217.12085	0.8
225.11238	1.4
235.05943	2.6
243.12128	0.9
253.06999	0.9
263.12671	1.3
273.11142	0.8
291.12259	13.0
309.09979	1.3
309.13297	19.6
327.14365	23.1
335.58945	0.9
345.15405	1.7
355.13641	1.3
369.15381	2.5
417.15454	7.2
430.03735	0.7
435.16492	10.0
453.17532	19.3
471.12442	1.2
471.18640	13.9
489.19785	4.8
583.23828	2.4
714.36182	2.1
747.33411	1.5
768.22058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01875	9.3
55.05515	16.2
57.03436	14.2
61.02914	3.9
63.39112	1.1
65.03934	4.5
67.05506	59.2
69.03433	8.6
69.07074	25.6
71.01324	1.6
71.03381	1.5
71.04981	7.0
71.53248	1.2
73.02888	2.4
73.37389	1.2
79.05493	45.1
81.03418	63.0
81.07059	50.7
83.04973	11.4
83.08627	11.9
85.02912	16.6
85.06549	3.4
91.05481	100.0
92.05824	3.2
92.74244	1.2
93.07047	58.5
94.07361	1.4
95.04977	11.8
95.08607	38.1
97.02896	5.9
97.06538	15.5
97.10177	5.4
99.08110	2.4
103.05489	2.8
105.04500	2.4
105.07031	30.6
107.04948	8.8
107.08591	26.0
109.02930	1.8
109.06518	8.2
109.10162	21.0
111.08060	5.1
115.05456	1.4
117.07014	14.5
119.08582	95.5
121.06508	9.9
121.10162	12.8
123.08062	5.2
123.11674	2.1
125.09657	3.6
127.03867	2.4
128.06245	2.2
129.05487	2.1
129.06990	8.0
131.08537	15.6
133.06462	2.0
133.10138	13.9
135.08083	7.3
135.11690	10.7
137.09618	39.8
141.07022	2.2
143.08545	4.2
145.06491	1.6
145.10124	12.5
147.08047	12.5
147.11694	7.3
149.09630	10.7
149.13268	8.5
157.10094	3.1
159.08064	1.7
159.11697	8.9
161.09599	2.1
161.13264	2.3
163.11145	7.0
165.09117	32.8
167.08620	1.3
169.10117	2.6
171.11703	2.9
173.04422	3.3
173.13321	6.7
177.12706	4.5
179.14352	1.5
181.12218	1.7
183.10185	15.1
183.11678	2.4
187.11150	2.1
189.11252	2.0
193.12311	1.9
195.13840	4.0
195.99693	1.3
197.13187	1.7
227.12773	5.8
239.12767	26.1
239.17931	4.2
255.15956	7.6
257.13821	57.7
257.18927	7.5
267.15894	2.8
269.17499	21.7
275.20078	24.2
293.21091	1.8
321.20447	2.1
349.23718	19.3
353.19559	1.8
393.22244	1.6
393.27603	1.7
409.22037	1.9
415.24457	1.7
419.24249	8.2
433.25876	18.6
437.25406	10.3
451.26904	46.4
452.27026	3.1
480.46100	1.4
513.32166	12.6
531.33075	19.8
549.34009	4.2
641.29626	2.9
642.29565	16.0
746.36768	5.1
747.39313	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	746.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01873	7.1
55.05514	13.5
57.03438	16.8
57.07071	1.9
61.02917	4.6
67.05506	65.7
69.03432	7.7
69.07073	21.3
70.25105	1.4
71.01338	1.8
71.04989	7.3
71.44601	1.5
73.02921	2.2
73.06553	1.5
79.05492	48.6
81.03421	58.2
81.07056	54.1
83.04987	12.5
83.08620	8.6
85.02908	20.7
85.06545	2.6
91.05485	100.0
92.05824	1.8
93.07047	67.1
95.04988	14.6
95.08602	35.0
97.02900	8.9
97.06554	13.9
97.10164	3.0
99.04448	2.1
103.05481	3.4
105.07041	25.5
107.04964	6.0
107.08590	23.0
109.02868	2.3
109.06519	5.1
109.10162	22.4
111.08086	6.0
117.07018	15.4
119.08584	99.3
120.08942	2.4
121.06487	10.3
121.10134	13.3
123.08060	7.1
123.11704	2.7
127.03887	3.5
128.06248	1.5
129.07021	5.3
131.08569	13.3
133.06474	1.9
133.10121	16.6
135.08051	6.1
135.11710	11.6
137.09618	44.5
143.08626	2.8
145.06441	1.8
145.10133	9.0
147.08038	12.8
147.11691	6.3
149.09630	11.5
149.13309	9.9
151.11157	2.4
155.08603	2.1
157.10107	3.3
159.11710	10.9
163.11185	5.1
165.09126	35.4
171.11673	2.7
173.04500	4.7
173.13260	4.7
177.12709	4.5
183.10178	14.8
183.11671	2.4
184.07379	2.7
185.13155	1.7
191.14203	1.6
191.50835	1.5
195.13846	6.9
224.75198	1.7
227.12808	2.9
239.12813	37.5
239.17961	2.2
241.14465	3.5
241.85223	1.6
247.20596	2.4
255.15930	11.8
257.13843	60.2
257.19073	3.5
258.14288	1.7
267.15900	2.6
269.17462	37.4
275.20105	18.0
285.17014	1.8
293.21024	2.0
319.16904	1.6
331.22574	2.4
349.23611	14.5
367.24759	2.4
413.21686	2.2
415.24686	2.8
419.24341	11.6
433.25827	31.0
437.25220	10.4
451.26923	69.9
452.27124	6.2
505.11676	1.7
513.32086	7.7
531.33307	19.0
549.34149	5.3
641.28381	2.2
642.29633	20.7
643.31696	3.7
746.37628	8.6
747.40704	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	746.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01863	10.7
55.05511	23.9
56.96568	4.2
57.03434	57.7
57.07089	3.1
59.04998	3.5
60.06619	2.6
61.02921	7.1
63.02080	2.8
65.03944	4.4
67.05504	69.7
69.03425	15.1
69.07069	41.7
71.01334	7.3
71.04998	9.4
73.02901	4.6
74.80048	2.9
79.05496	98.2
81.02959	5.5
81.03420	87.3
81.07059	85.7
81.07458	1.9
83.04989	28.2
83.08619	36.4
85.02903	34.5
85.06551	5.3
91.03955	3.9
91.05481	91.9
93.07047	80.3
95.04970	45.4
95.08608	41.6
96.05634	2.8
97.02888	12.9
97.06522	22.2
97.10172	6.7
99.04475	4.4
99.08092	5.7
103.05444	3.9
105.04501	4.3
105.07029	51.1
107.04939	18.8
107.08603	40.1
109.02885	3.7
109.06506	16.2
109.10168	15.4
110.74512	2.9
111.04501	4.8
111.08092	15.1
115.05432	8.5
115.07567	3.6
117.07041	18.1
119.08595	44.8
121.06469	8.4
121.10161	50.2
123.08054	14.6
123.11675	3.3
125.09610	8.5
127.03881	5.1
129.05478	3.9
129.07007	20.1
131.08574	43.8
133.06497	7.3
133.10130	29.1
135.08035	22.7
135.11700	5.3
137.09618	8.1
139.11179	11.3
141.07001	6.3
143.06996	3.9
143.08580	3.7
145.06487	4.3
145.10123	26.9
147.07986	6.4
147.11697	23.0
149.09613	33.2
151.11310	3.8
155.08531	3.9
157.10127	26.6
161.09612	4.7
163.11186	7.0
165.09160	5.6
165.12833	3.7
167.10661	11.5
169.10167	6.4
171.11783	4.3
175.11194	21.1
177.09058	3.9
180.66588	2.7
185.13240	3.8
187.11192	5.7
187.14838	5.2
193.12233	54.8
201.16393	11.6
211.13254	67.9
211.14787	5.9
227.12749	28.5
229.15950	20.5
241.14334	67.6
247.17023	21.3
267.15921	41.9
275.20007	3.2
285.16953	89.3
286.17282	3.2
321.20569	31.2
339.21646	8.3
383.62189	2.7
415.24741	4.1
419.24258	10.2
433.25867	52.4
437.25333	30.5
451.26932	100.0
452.27136	4.7
510.27994	3.3
513.32178	22.8
531.33124	39.0
549.34595	14.5
595.31348	5.8
642.29828	8.4
643.32336	3.7
746.33636	33.2
747.35840	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	746.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01878	15.6
55.05514	34.1
57.03179	4.1
57.03438	48.6
61.02925	6.5
65.03931	3.0
67.05505	62.5
69.03432	18.0
69.07076	40.3
71.01357	3.4
71.04992	11.8
71.81801	2.6
73.02954	2.9
79.05492	97.0
81.03421	100.0
81.03906	5.9
81.07056	73.1
83.04987	27.1
83.08620	39.2
85.02901	35.6
85.06536	5.6
91.05482	88.5
93.07047	67.3
95.04969	43.4
95.08606	42.8
97.02877	15.6
97.06532	21.3
97.10188	4.1
99.08060	3.5
105.07024	60.6
107.04946	19.9
107.08606	38.5
108.83293	2.9
109.02879	4.8
109.06493	14.1
109.10151	12.0
111.04429	5.6
111.08076	15.8
115.05472	6.1
116.06186	3.5
117.07002	27.1
119.08572	54.9
121.06497	4.5
121.10147	48.9
123.08076	11.5
125.02382	3.7
125.09625	8.5
127.03960	3.3
128.06287	4.3
129.05487	7.2
129.07005	23.0
130.25359	3.0
131.08566	52.3
133.06511	5.6
133.10127	31.6
135.08051	29.8
135.11699	5.8
137.09610	11.5
139.11176	9.1
141.06937	5.2
143.08548	7.1
145.06514	4.0
145.10132	27.9
147.08054	11.5
147.11665	21.3
149.09624	43.0
151.07487	3.1
153.09096	3.5
155.08527	5.6
157.10126	23.4
159.08098	4.0
159.11702	6.4
161.09636	7.1
163.11201	8.6
164.41876	2.8
165.09058	3.5
165.12785	6.4
167.10672	11.0
169.10146	11.0
171.11726	3.6
172.55960	2.7
173.13181	3.3
175.11232	15.9
177.09128	4.7
185.13268	5.6
187.11098	4.7
187.14833	6.2
189.11189	3.4
193.12230	52.0
199.09651	3.1
201.16440	8.9
211.13261	67.7
211.14906	7.2
219.17534	5.6
227.12782	26.6
229.15948	30.1
241.14342	57.1
242.14577	3.6
247.16957	23.7
267.15894	43.3
285.16971	72.2
290.87082	3.4
321.20590	37.7
339.21573	4.0
385.18301	3.3
419.24274	13.9
433.25830	41.6
437.25262	26.7
451.26889	98.7
452.27161	5.6
502.23578	4.8
513.31964	15.6
531.33099	36.0
549.34180	9.3
595.31171	4.3
608.73639	3.4
642.29883	4.1
643.33301	4.0
746.40765	26.8
747.36871	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	746.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32487	2.7
53.03958	5.8
55.01873	10.8
55.05510	24.2
57.03434	26.2
61.02925	6.9
65.03933	5.9
67.05505	61.4
69.03429	11.8
69.07071	29.9
69.77533	11.3
71.01344	3.3
71.04986	9.9
71.07362	4.0
79.05491	78.5
79.31689	2.8
81.03418	58.8
81.07059	68.3
83.04977	23.7
83.08607	23.2
85.02899	33.9
85.06550	7.6
86.09707	13.3
88.25626	3.2
91.03941	4.8
91.05478	100.0
91.06058	4.8
93.07047	63.9
95.04968	36.4
95.08601	37.8
97.02917	9.3
97.06525	16.6
97.10175	8.5
99.08099	7.1
105.04538	7.7
105.07031	80.9
105.87889	2.9
107.04973	12.3
107.08600	27.8
109.06544	8.7
109.10178	13.0
111.04405	3.6
111.08109	10.3
115.05444	4.1
117.07017	26.5
119.08577	65.2
121.06528	9.0
121.10146	38.3
123.08079	6.8
125.00022	6.5
125.09679	5.3
127.04034	3.7
127.07487	3.0
128.06232	7.7
129.07007	23.1
130.07893	2.8
131.08553	34.1
133.06503	5.9
133.10124	68.8
135.08067	12.2
135.11684	9.4
137.09673	4.5
139.11215	3.8
142.07803	6.0
143.08572	14.4
145.04924	3.4
145.10124	26.7
147.08058	8.7
147.11684	50.0
149.09630	29.7
151.11169	5.3
157.10143	22.5
157.36894	3.9
159.11726	11.3
161.09624	6.6
163.11276	4.4
165.09164	4.2
167.10654	3.8
169.10133	5.7
171.11688	24.0
173.13313	5.5
175.09888	3.5
175.11174	18.6
181.12239	3.2
184.07323	36.4
185.13283	4.0
187.11185	3.8
187.14809	8.3
189.12811	4.7
189.16437	4.4
193.12225	41.9
201.16397	7.1
203.17946	10.1
211.13266	47.3
213.16339	32.8
229.15910	11.8
231.17441	61.0
241.14305	17.1
247.17007	10.1
267.15836	21.8
285.16953	53.3
305.21069	24.8
321.20578	7.9
387.26736	3.7
405.27725	4.8
423.28818	4.3
433.25742	11.3
451.26923	20.2
485.23505	6.1
497.32553	10.1
513.32147	5.5
515.33771	31.6
516.33917	3.7
531.33234	4.3
583.26965	3.5
674.32379	4.3
746.37921	47.4
747.41327	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	746.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.1
55.01878	2.7
55.05513	17.8
55.17858	1.1
57.03438	20.5
57.07079	4.0
58.26722	1.1
59.04975	1.4
60.08171	1.9
60.44995	1.0
61.02925	3.2
65.03945	3.4
66.70728	1.3
67.05505	57.7
68.05822	1.5
69.03435	4.0
69.07064	12.7
71.05002	4.6
71.07352	1.4
77.03932	2.0
79.05495	55.2
80.05825	1.2
81.03418	77.6
81.07057	57.3
82.07425	1.5
83.04925	5.1
83.08621	23.1
85.02905	2.9
85.06570	2.7
86.09696	7.0
91.03921	1.5
91.05481	33.7
93.07047	54.4
95.04971	27.6
95.08606	35.1
97.02868	5.1
97.06499	5.7
97.10191	7.1
98.98471	1.1
99.08103	3.3
103.05470	1.2
105.04498	2.7
105.07033	24.7
107.04955	6.7
107.08593	25.8
109.06522	4.9
109.10145	17.7
111.04475	1.4
111.08071	8.0
113.09708	1.3
115.05428	1.0
117.07032	8.7
119.08577	26.5
119.28078	1.1
121.06555	4.0
121.10149	30.8
123.04373	1.5
123.08083	4.0
123.11718	5.9
125.00008	4.1
125.09662	6.4
129.05516	1.5
129.07011	9.4
131.08565	18.7
133.06479	2.5
133.10129	18.6
135.08046	3.1
135.11694	24.6
137.09619	4.1
137.13271	1.9
141.46950	1.0
142.07770	2.6
143.08542	1.6
145.06497	1.4
145.10109	12.4
147.08086	3.6
147.11687	16.2
149.09653	5.2
149.13248	9.4
151.11188	2.4
151.68694	1.1
155.08542	1.0
157.10120	9.8
159.08069	1.2
159.11707	10.0
161.13240	3.3
163.11195	4.0
163.14825	1.2
165.12784	2.3
169.10237	1.6
171.11668	2.2
173.13258	8.0
175.11238	8.4
175.14821	2.3
177.12679	1.6
179.08664	1.1
184.07341	25.1
184.08881	1.8
185.13301	3.1
187.14810	3.1
189.11264	2.7
189.16380	1.4
193.10474	1.9
193.12234	19.5
195.13770	1.6
205.19568	2.1
211.13196	1.7
215.17957	22.5
227.12709	5.5
231.17509	1.3
233.19017	27.8
235.13141	1.4
245.13841	1.7
249.14787	3.4
255.21127	1.2
267.15912	100.0
268.16248	3.9
273.22186	4.4
285.16904	1.4
289.21579	1.2
301.14426	1.8
307.22678	84.5
309.17032	3.0
309.20590	1.1
350.29767	1.1
375.21732	1.9
389.23294	1.5
389.28006	1.7
407.24612	1.2
407.29269	5.8
421.25748	1.5
424.64914	1.1
425.30322	6.5
443.31726	2.4
447.27368	1.5
453.20914	3.9
481.33096	2.4
499.34146	60.1
500.34561	4.4
517.35236	53.0
518.35474	2.7
531.36591	1.7
534.27020	1.2
535.28949	1.2
541.35297	4.2
549.37085	1.3
580.05414	1.5
583.35950	1.4
595.36151	1.7
607.36298	2.0
625.37665	1.2
643.37524	1.6
746.41907	12.1
747.42932	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	746.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01869	3.1
55.05513	7.3
57.03188	0.8
57.03440	10.6
57.07069	2.0
60.08155	1.4
61.02937	1.8
61.08730	0.7
65.03947	1.0
67.05508	40.4
69.03424	2.9
69.07072	13.0
69.65250	1.6
71.04980	4.3
73.02912	1.3
77.03921	1.2
79.05493	25.6
81.03419	100.0
81.07056	35.6
83.04987	4.5
83.08633	4.0
85.02914	2.0
85.06565	1.3
85.10201	0.7
86.09722	4.3
86.89957	0.7
91.03964	1.5
91.05484	27.4
93.07044	31.4
94.07391	1.2
95.04980	5.9
95.08608	33.6
97.02893	2.7
97.06524	3.7
97.10162	2.2
99.08145	0.9
105.04542	1.2
105.07031	13.8
107.04957	1.3
107.08591	16.3
109.06516	2.4
109.10164	15.1
111.08095	1.2
115.05466	1.0
117.07010	5.6
119.08582	25.3
121.06492	6.4
121.10149	14.3
123.04449	1.2
123.08077	4.2
123.11679	3.8
125.00042	1.8
125.05994	1.0
129.07010	2.3
131.08571	8.3
133.06567	1.3
133.10115	7.1
135.08055	3.0
135.11696	8.0
137.09619	19.9
137.13257	1.0
139.11186	1.4
143.07045	3.3
143.08575	2.3
145.05034	1.1
145.10135	7.0
147.08046	7.9
147.11685	6.5
149.09637	3.1
149.13249	4.8
151.11186	0.7
157.10150	2.3
159.08115	0.9
159.11710	5.0
161.08203	0.9
161.09610	1.5
161.13251	2.8
163.07646	1.4
163.11176	1.3
163.14835	2.4
165.09113	15.8
165.10419	1.2
169.10075	1.1
171.11673	1.8
173.13261	3.7
175.14874	2.2
177.12784	0.8
177.16406	0.7
181.08597	0.8
183.10176	1.2
183.11676	0.8
184.07347	10.4
185.13235	1.4
187.14882	1.8
191.10521	0.9
191.14369	0.9
195.11792	0.7
199.09659	3.0
199.14850	1.0
207.10292	0.9
213.16479	0.7
233.15486	0.9
239.12776	56.8
240.12984	1.0
243.21165	2.2
261.22110	9.2
261.26645	0.7
271.15356	0.8
281.13943	1.0
285.22067	1.4
289.87396	0.8
301.25290	2.9
311.66135	0.8
315.19714	0.7
317.24890	2.1
335.25793	39.7
336.26230	1.0
353.26947	0.8
363.25525	1.1
375.21561	1.1
389.23615	0.8
389.28296	1.6
393.22681	1.7
397.31345	0.9
401.26968	1.0
407.24561	1.3
407.29544	4.6
425.30316	6.3
443.31421	1.1
481.33112	1.7
499.34164	38.2
500.34558	2.3
517.35272	31.7
531.36890	3.5
541.35034	1.0
547.14569	0.8
549.37726	2.8
625.08130	0.9
676.49390	0.9
731.33289	0.8
746.41595	9.9
747.42798	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	747.3779
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03952	0.4
55.05518	0.7
57.03438	1.5
59.05001	0.5
61.02936	3.7
67.05527	2.0
69.03434	2.0
69.07066	0.9
69.26254	2.0
71.01377	0.5
71.05009	1.4
73.02929	2.2
79.05097	0.3
79.05504	2.2
81.03415	4.7
81.07069	2.7
83.08635	1.3
85.02919	3.4
87.04489	0.6
91.03962	2.3
91.05488	3.1
93.07056	2.4
95.04982	1.3
95.08617	1.1
97.02896	2.9
97.06571	0.7
97.82863	0.4
99.04472	0.6
99.82944	0.4
101.02422	1.0
105.07030	1.6
107.04989	0.4
107.08631	1.2
109.02900	0.6
109.06495	0.4
111.08109	0.3
119.08625	1.0
120.80885	0.3
121.10162	2.9
123.08133	0.4
127.03931	1.3
129.07056	0.7
131.08603	1.4
133.10179	0.8
145.10184	0.4
147.11723	1.3
149.09608	1.8
157.10228	1.1
165.12787	0.5
167.10718	0.5
174.15155	0.4
175.11249	1.0
184.26413	0.3
185.04373	0.5
193.12299	2.0
211.13448	0.4
214.34805	0.4
225.11130	0.5
225.14948	0.5
243.08443	2.3
248.62837	0.5
251.12695	0.5
267.16138	1.3
269.13751	1.1
283.15219	3.2
339.18011	0.8
443.18942	5.9
451.19733	0.5
469.20636	3.5
470.20987	0.5
487.21591	7.6
487.28281	0.6
501.23129	15.1
502.23700	0.6
573.24982	0.5
585.33759	0.4
604.45258	0.4
703.35083	2.8
729.36761	1.5
747.37811	100.0
748.38153	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	747.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86048	0.9
55.05514	1.0
59.60945	1.0
59.97503	1.0
63.77670	0.9
67.05505	1.7
69.19761	6.1
79.05495	1.4
81.03441	1.3
81.07059	3.4
88.91734	1.1
91.05521	1.5
93.03139	1.1
93.07065	1.2
95.08593	1.6
98.23512	1.7
117.45418	1.0
137.78520	1.0
158.64172	0.9
184.07410	3.4
185.93495	1.0
193.12016	1.0
274.99127	1.0
298.82300	1.0
339.29092	1.5
550.41675	1.8
599.56470	1.1
708.57452	1.1
747.40820	100.0
748.41278	6.0
748.52966	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
53.86359	0.4
55.05527	1.1
56.57188	0.4
57.03450	1.7
61.02929	6.2
63.96300	0.4
64.73640	0.4
67.05513	5.3
69.03432	3.5
69.07078	1.7
69.11394	3.0
71.01360	0.6
73.02927	4.5
79.05507	3.2
81.03426	3.2
81.07059	4.7
83.08645	1.2
85.02909	6.7
85.03347	0.6
85.29790	0.5
87.04490	0.4
91.03975	4.2
91.05499	2.4
93.07047	2.7
95.05003	0.8
95.08611	4.4
97.02912	4.4
98.25938	0.4
99.04491	0.9
101.02395	2.4
105.07063	1.4
107.08631	1.1
109.02901	0.7
109.10150	1.0
115.03936	0.8
117.07073	0.6
119.08618	1.2
120.34251	0.4
121.10174	2.0
123.11732	0.7
127.03958	1.0
129.07080	0.6
131.08585	0.6
133.10172	1.3
145.10310	0.5
147.11772	0.9
149.13223	0.6
175.11166	0.7
185.04237	0.7
193.12314	1.8
203.05238	0.6
211.13353	0.7
243.08383	2.4
251.12579	5.0
252.12909	0.6
262.93362	0.5
469.20441	5.1
519.29352	6.7
520.29437	0.9
634.11572	0.5
635.33575	0.7
642.75378	0.6
747.42859	100.0
748.43036	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
54.13596	0.2
55.01878	0.4
55.05514	1.3
57.03443	1.9
61.02926	4.9
67.05506	4.2
69.03429	3.1
69.07076	0.7
69.09425	0.5
69.09833	0.9
70.41500	0.2
70.50606	0.2
71.01354	0.6
71.04999	0.7
73.02915	4.3
79.05503	3.1
80.54511	0.2
81.03415	2.9
81.07059	3.9
81.07497	0.3
83.08631	0.7
85.02904	6.3
91.03958	3.1
91.05482	2.4
93.07053	3.4
93.07607	0.4
95.04997	0.9
95.08610	3.5
97.02895	5.0
97.03481	0.3
98.23472	0.3
99.04471	0.9
101.02372	1.5
103.03958	0.2
105.07019	1.2
107.08588	1.5
109.02903	0.8
109.06543	0.3
109.10142	1.1
115.03925	0.4
117.07037	0.6
119.08571	1.1
121.10128	1.4
123.11713	0.4
127.03905	1.6
129.07018	0.4
131.08600	0.8
133.10162	0.9
135.11740	0.9
141.85428	0.2
145.05008	0.4
145.10175	0.4
147.11690	0.5
149.13335	0.3
153.11758	0.2
157.10176	0.3
159.11746	0.4
173.13387	0.2
175.11229	0.3
182.03224	0.2
184.07416	0.4
185.04230	0.5
193.12328	0.3
203.05334	0.3
243.08400	1.6
251.12701	0.8
331.84927	0.2
335.26035	0.8
453.21198	0.3
469.20349	3.3
519.29333	6.2
520.29773	0.4
694.35291	0.2
747.42841	100.0
748.43134	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01861	0.7
55.05500	1.6
57.03435	2.6
57.83751	0.4
61.02925	6.9
67.05502	4.6
69.03420	4.0
69.07072	1.1
69.67419	1.1
71.01350	0.6
71.05005	0.6
73.02915	4.2
74.24812	0.3
74.70149	0.3
75.31116	0.3
76.96961	0.3
79.05479	3.6
81.03419	4.3
81.07050	4.5
83.08647	1.1
85.02899	7.2
87.04454	0.5
91.03951	3.9
91.05477	3.6
93.07038	3.9
95.04974	1.4
95.08607	3.6
95.09151	0.4
97.02887	6.3
97.06540	0.4
97.10189	0.4
98.23428	0.6
99.04475	1.1
101.02368	2.1
105.07054	1.8
107.08582	1.6
108.12067	0.3
109.02891	1.2
109.06523	0.4
109.10183	1.2
111.08105	0.6
113.06032	0.4
117.07025	0.4
119.08546	1.6
121.10142	1.7
123.08093	0.4
123.11788	0.4
124.20137	0.3
127.03888	1.6
129.06985	0.6
131.08597	1.5
133.10164	1.3
135.11725	0.4
146.70004	0.3
147.11723	1.4
149.09709	0.4
157.10123	0.8
162.94508	0.3
175.11209	0.7
185.04269	0.9
193.12296	1.2
203.05196	0.5
204.37218	0.3
211.13312	0.6
223.16521	0.3
243.08321	2.7
251.12599	1.0
261.22083	0.4
305.82709	0.3
307.15329	0.5
335.25769	0.6
410.37399	0.3
469.20425	8.3
469.27167	0.4
519.29187	3.9
585.37781	0.4
719.41333	0.4
747.42804	100.0
748.43097	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38739	0.2
53.03950	0.6
55.01880	0.5
55.05514	1.6
57.03433	2.0
61.02929	3.8
65.03946	0.4
66.61781	0.2
66.80482	0.2
67.05503	6.5
68.05844	0.4
69.03429	2.5
69.07072	1.5
71.01356	0.3
71.05001	0.6
73.02915	3.2
76.34850	0.2
77.03909	0.4
79.05495	5.7
80.05840	0.3
81.03416	3.6
81.07061	6.4
82.03754	0.4
82.07406	0.3
83.08619	1.5
85.02905	4.2
85.06562	0.5
86.09703	0.3
87.04475	0.4
91.03955	2.5
91.05475	3.7
93.07046	6.2
94.07383	0.5
95.04970	1.7
95.08606	2.8
97.02885	3.8
97.03466	0.2
97.06532	0.9
97.10186	0.3
99.04462	0.7
99.08111	0.5
101.02386	1.6
105.04527	0.3
105.07035	2.9
107.04993	0.3
107.08590	3.3
107.09237	0.2
109.02908	0.7
109.06512	0.4
109.10162	1.0
111.08111	0.7
115.03978	0.3
117.07043	1.0
119.08575	2.0
120.08983	0.4
121.10149	2.5
123.11711	0.5
125.11338	0.2
127.03930	1.8
129.06993	0.5
131.07698	0.2
131.08560	1.4
133.10118	2.2
135.11676	1.6
143.08588	0.3
145.10172	0.5
147.11646	1.3
149.09615	0.2
149.13264	2.3
157.10181	0.7
159.11707	1.6
161.13266	0.4
171.11743	0.2
173.13264	0.5
177.12862	0.5
184.07335	1.3
185.04193	1.1
185.13322	0.3
193.12308	0.4
195.13899	0.5
201.03819	0.3
203.05322	0.2
207.22923	0.2
215.17972	0.6
216.18343	0.4
227.12746	0.2
233.19052	0.6
234.19362	0.4
235.13036	1.6
243.08403	2.5
259.20621	0.5
261.14502	0.3
267.15903	2.1
268.16150	1.3
269.17517	0.4
291.15744	0.4
301.08911	1.5
307.22549	1.5
308.23096	1.4
313.08908	0.4
315.10626	0.6
317.20993	0.5
333.16931	0.3
347.18518	0.2
373.11182	0.7
379.17651	0.3
383.16995	0.3
397.18274	0.4
408.29773	0.3
437.21036	0.3
443.19049	0.8
453.20950	9.9
454.21609	0.3
465.21164	0.7
499.34296	0.3
500.34573	1.5
517.34924	0.4
518.35565	1.4
525.23114	1.3
535.28851	5.1
536.29437	0.4
542.35651	0.3
553.26196	0.3
567.28076	0.4
595.31165	0.3
609.32129	0.3
649.35168	0.3
677.35242	0.5
747.42841	100.0
748.43085	8.7
756.26526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01872	0.5
55.05511	1.4
57.03444	2.0
57.07075	0.4
57.23104	0.2
61.02924	4.4
64.59700	0.3
65.03947	0.2
67.05512	4.7
69.03426	2.6
69.07088	1.7
70.67746	0.3
71.01341	0.5
71.05004	0.6
73.02925	3.3
76.54688	0.2
79.05495	4.8
81.03423	2.0
81.07061	5.5
83.08630	1.1
85.02906	4.5
85.06562	0.4
86.09714	0.5
87.04497	0.4
88.41708	0.2
91.03955	3.1
91.05482	3.2
93.07047	5.9
93.07598	0.4
94.07381	0.3
94.55811	0.2
95.04990	1.0
95.08597	2.1
96.01873	0.3
96.08960	0.3
97.02897	3.9
97.03481	0.3
97.06558	0.8
99.04496	0.7
99.08129	0.4
100.32611	0.2
101.02385	1.9
103.03947	0.3
105.07030	2.4
107.04984	0.3
107.08598	2.6
109.02885	0.7
109.06536	0.5
109.10184	0.8
111.08095	0.6
115.03938	0.4
117.07015	1.1
119.08570	1.4
121.06590	0.3
121.10143	2.1
123.08099	0.3
123.11738	0.6
127.03896	1.3
129.05484	0.5
131.08510	1.1
133.10135	2.9
135.11681	1.6
145.04993	0.4
145.10168	0.6
147.11711	1.2
149.09624	0.2
149.13271	1.3
151.08798	0.2
151.11185	0.3
157.10214	0.4
159.11761	0.7
161.13336	0.3
173.13274	0.3
177.12813	0.5
184.07375	1.4
185.04276	0.7
195.13841	1.0
203.05334	0.5
215.18074	0.5
235.13011	1.2
243.08414	3.1
259.20731	0.5
267.16022	0.8
268.16418	0.4
269.17496	0.7
284.85953	0.3
291.15961	0.4
301.08926	1.2
307.22720	0.6
308.23331	0.5
313.09125	0.4
315.10587	0.5
317.21024	0.4
371.17087	0.3
373.11340	0.8
385.18338	0.4
397.18204	0.3
453.20975	8.3
454.21609	0.3
465.21423	0.5
469.20218	0.3
471.48242	0.2
483.22037	0.5
500.34540	0.4
518.35950	0.7
525.23114	1.0
535.28821	6.0
542.42493	0.3
553.26489	0.3
585.37262	0.4
609.32831	0.5
677.35156	0.3
747.42883	100.0
748.43213	7.1
762.55829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01863	0.5
55.05507	1.2
57.03442	1.7
61.02927	4.8
65.03946	0.3
67.05503	4.1
69.03437	2.8
69.07069	1.4
70.93459	0.3
71.01351	0.9
71.04990	0.8
71.34752	0.2
72.00473	0.3
73.02917	3.8
79.05487	3.3
81.03415	2.0
81.07056	5.0
83.08646	0.4
85.02898	5.5
85.06546	0.5
86.09697	1.5
87.04479	0.4
91.03973	2.9
91.05470	2.3
91.96603	0.3
93.07052	3.3
95.04987	0.9
95.08601	3.0
97.02278	0.3
97.02892	4.7
97.06559	0.3
99.04465	1.0
101.02379	1.7
103.03918	0.3
105.04561	0.3
105.07044	1.2
107.08578	1.6
109.02896	1.0
109.06589	0.4
109.10174	1.4
115.03934	0.3
119.08576	1.2
121.10152	1.5
121.67859	0.2
123.11753	0.4
125.00040	1.2
127.03889	1.6
129.07056	0.3
130.80609	0.3
131.08577	0.7
133.10159	1.0
135.11697	1.1
145.04985	0.5
145.10121	0.5
147.11713	0.4
184.07336	4.7
185.04250	0.9
185.07716	0.5
195.00243	0.4
203.05241	0.4
210.97998	0.3
243.08502	2.1
249.11084	0.4
251.12651	0.8
322.43030	0.3
335.25845	0.7
360.75800	0.3
412.87607	0.3
427.19058	0.3
467.18979	0.8
468.37665	0.3
469.20480	4.6
519.29315	6.0
520.29767	0.4
747.42786	100.0
748.43073	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	748.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01875	2.7
55.05510	20.6
57.03436	18.6
57.07077	4.7
58.71518	2.0
60.08147	2.2
61.02919	4.2
65.03934	1.9
67.05504	57.2
69.03439	5.6
69.07066	23.0
71.04996	4.1
71.07380	2.1
71.08622	3.2
73.02932	3.7
79.05485	28.1
81.03416	77.7
81.06570	3.5
81.07053	67.0
81.58421	1.6
83.05002	7.8
83.08616	25.8
85.02912	4.0
85.06573	3.2
86.09734	8.9
91.03955	3.9
91.05475	26.7
93.07040	27.1
95.04981	27.4
95.08601	40.9
97.02901	6.4
97.06551	4.4
97.10192	7.8
98.03238	1.6
99.08118	4.2
101.02375	2.4
105.04465	1.8
105.07018	18.5
107.04979	6.1
107.08577	13.4
107.88102	1.6
109.06548	3.8
109.10159	13.9
111.08102	6.8
117.07042	2.4
118.28473	2.0
119.08592	17.8
121.06529	3.1
121.10152	18.5
123.08103	3.8
123.11744	6.9
125.00029	5.3
125.09663	3.1
129.07010	10.2
131.08606	7.3
133.06555	2.8
133.10103	13.5
135.11748	8.2
137.09634	1.8
137.13242	3.7
145.10211	3.6
147.08061	3.4
147.11722	11.4
149.09637	2.1
149.13336	3.6
157.10176	8.3
161.13345	4.0
163.11243	2.5
165.12778	2.2
175.11243	8.1
175.14954	2.1
184.07350	27.0
193.12250	19.0
205.65291	2.0
217.19464	8.6
235.20461	8.8
249.14932	2.2
267.15906	100.0
285.17087	4.1
309.17145	2.9
309.24231	87.5
310.24393	3.6
365.31088	1.9
409.30951	3.6
427.32095	6.2
453.20627	2.6
501.35678	72.5
502.35892	2.7
519.36774	38.2
520.29810	2.2
520.37408	2.3
533.38245	2.1
543.36774	4.2
609.38275	2.7
748.43182	99.8
749.43994	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
61.02939	1.0
67.05506	2.0
71.44063	0.7
73.02912	0.7
79.05480	1.3
81.07056	1.2
85.02895	0.8
93.07031	1.1
95.08599	1.1
105.07059	1.0
107.08606	1.1
109.10178	0.9
121.10146	0.7
123.08251	0.6
158.45238	0.5
388.64532	0.6
455.16010	0.6
520.23987	0.6
558.65106	0.7
748.43994	0.7
749.38763	100.0
750.39374	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	749.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05522	3.7
57.03428	2.1
61.02932	5.6
67.05500	9.4
68.05839	0.8
69.03445	3.1
69.07073	2.3
71.04984	1.0
72.06771	0.8
73.02920	2.5
79.05482	5.8
81.03423	2.7
81.07057	6.1
83.04997	1.4
83.08607	1.1
85.02901	7.2
91.03977	2.4
91.05482	4.8
93.07042	8.6
95.04977	1.2
95.08609	3.9
97.02889	4.4
97.10195	0.9
99.04451	0.9
101.02398	1.7
105.04535	1.0
105.07041	5.0
106.07397	0.8
107.08015	0.7
107.08596	4.1
109.02896	1.0
109.10148	7.4
115.03923	0.8
117.07052	0.9
119.08611	2.3
121.10183	2.4
123.83745	0.8
125.09717	0.8
127.03919	1.4
131.08580	1.5
133.10133	5.6
135.11752	1.5
138.48253	0.7
147.11688	1.5
149.13309	1.0
151.11237	2.2
159.11739	1.0
161.13263	1.0
166.31198	0.8
177.67261	0.8
184.07361	2.7
203.05235	1.2
229.14398	2.9
237.11076	1.3
243.08556	3.0
301.08823	1.1
301.16599	1.0
307.22800	1.8
308.23135	1.6
312.27676	0.8
455.18829	12.5
535.28680	3.9
587.36377	0.9
731.39996	9.0
732.40002	1.1
749.40814	100.0
750.41473	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	749.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.38965	0.2
55.01877	0.5
55.05511	1.6
57.03441	1.8
58.89660	0.2
61.02920	3.7
65.03947	0.4
67.05502	5.1
68.05811	0.2
69.03432	2.5
69.07060	2.2
71.01357	0.5
71.04991	0.7
73.02916	2.7
79.05492	3.4
81.03411	2.1
81.07053	3.4
83.04984	0.8
83.08620	0.4
85.02898	3.3
85.06539	0.3
86.09727	0.3
87.04482	0.3
91.03962	2.4
91.05477	2.1
93.07043	3.7
93.07516	0.3
95.04980	0.9
95.08598	1.8
97.02885	3.4
97.06551	1.0
97.10178	0.9
99.04455	0.7
101.02380	1.3
103.03995	0.3
105.07007	1.3
107.08582	2.9
109.02881	0.6
109.10165	0.8
117.07030	0.7
119.08572	1.2
121.06475	0.2
121.10160	0.7
123.08077	0.3
127.03925	1.0
131.08545	0.6
133.10168	0.9
135.08067	0.3
135.11687	3.8
145.05022	0.3
145.10126	1.2
147.11708	0.4
149.13231	0.3
163.11247	0.6
181.12320	0.5
184.07416	0.5
185.04315	0.5
188.47740	0.3
221.11542	0.9
243.08344	2.5
255.15866	0.5
277.14188	0.6
302.16861	0.3
311.07779	0.3
333.20230	2.2
338.75833	0.2
338.83545	0.3
389.23145	0.5
413.17822	0.2
439.19351	10.0
440.19830	0.4
453.21063	0.7
469.20407	0.3
524.61316	0.2
551.28278	4.5
552.28638	0.3
592.40436	0.2
626.96210	0.3
627.24475	0.3
663.30066	0.8
678.64795	0.3
749.40729	100.0
750.41089	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	749.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01876	0.5
55.05519	1.7
56.12500	0.2
57.03438	1.9
61.02926	3.8
63.48326	0.3
67.05507	5.2
69.03426	2.8
69.07084	2.1
69.77855	0.5
71.01360	0.4
71.04995	0.6
73.02914	2.8
79.05492	5.0
81.03418	1.7
81.07058	4.7
83.04996	1.2
83.08629	0.6
85.02901	4.4
85.06551	0.4
91.03951	2.3
91.05478	3.3
93.07043	5.2
95.04993	1.1
95.08611	2.2
97.02893	3.7
97.06555	1.1
97.10194	0.6
99.04459	1.1
99.08105	0.3
101.02403	1.5
105.04531	0.4
105.07007	1.3
107.05005	0.4
107.08582	2.6
109.02929	0.7
109.06518	0.5
109.10175	0.7
111.08063	0.5
117.07042	0.7
119.08573	1.5
121.10136	1.7
123.11772	0.5
125.78626	0.3
127.03956	1.0
131.08597	0.7
133.10178	1.1
135.08101	0.5
135.11702	4.2
135.12645	0.3
139.77789	0.3
145.04951	0.4
145.10164	1.0
147.11662	0.5
147.46552	0.3
149.13216	0.3
159.11713	0.4
163.11188	0.4
168.06314	0.3
181.12312	0.8
184.07440	0.8
185.04201	0.6
203.05420	0.3
221.11496	1.2
243.08382	2.6
255.16023	0.9
255.29965	0.3
267.84338	0.3
277.14240	0.6
307.22601	0.2
333.20151	1.4
389.22562	0.4
439.19409	11.9
440.19580	0.4
453.21283	0.9
469.20667	0.4
551.28198	3.7
564.38934	0.4
651.33160	0.5
749.40759	100.0
750.41101	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.6
55.05528	1.8
57.03443	2.1
57.07098	0.7
61.02934	3.6
67.05511	7.2
67.94135	0.5
69.03449	2.3
69.07077	2.0
71.05032	0.7
71.63311	0.5
73.02919	3.0
78.60639	0.5
79.05487	4.3
81.03407	4.8
81.07049	8.2
81.07490	0.5
83.04994	0.6
83.08642	2.2
85.02900	3.8
85.06580	0.6
86.09731	1.3
91.03959	2.5
91.05485	3.7
93.07048	6.0
95.04995	1.7
95.08605	4.3
97.02890	3.7
97.06541	0.8
97.10229	0.6
99.04504	0.8
101.02425	1.0
105.07072	1.6
107.08637	1.7
109.02904	0.6
109.10181	1.7
117.07039	1.2
119.08570	1.3
121.10183	1.9
123.11726	1.2
125.00063	0.8
127.03947	1.6
129.07014	0.5
131.08646	1.3
133.10207	2.1
135.11740	1.4
145.10104	0.6
147.11755	0.7
149.13322	1.4
159.11787	0.7
173.13327	0.5
184.07346	5.2
185.07719	0.8
193.12357	0.8
195.13852	0.9
202.41776	0.6
235.12968	0.8
243.08594	2.4
267.15997	3.5
268.16241	1.6
269.17651	0.7
309.24234	3.7
310.24780	2.1
364.11523	0.5
379.98685	0.5
384.05002	0.6
427.19379	0.8
441.10437	0.5
453.20990	4.1
491.26648	0.5
501.35687	1.0
502.35886	3.1
519.29700	0.9
519.36700	0.7
520.37341	1.4
537.30267	5.6
653.22040	0.6
705.42444	0.9
749.44379	100.0
750.44800	6.6
777.71515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	1.0
55.05502	2.0
57.03440	2.9
57.47670	0.8
61.02928	4.5
61.44290	0.8
67.05515	6.0
69.03428	3.2
69.07069	2.2
71.05000	1.2
73.02921	4.3
79.05506	3.3
81.03424	5.2
81.07059	6.6
83.04949	0.9
83.08626	2.2
85.02907	6.6
86.09708	1.0
91.03972	3.0
91.05489	3.0
91.28434	0.9
93.07058	3.2
95.04967	1.7
95.08608	4.6
97.02898	4.5
97.06600	0.9
97.10206	0.9
99.04450	1.3
101.02373	2.4
105.07021	1.5
107.08621	1.2
109.10194	2.5
119.08591	1.0
121.10209	1.0
123.11806	1.0
127.03925	0.9
130.31207	0.8
131.08612	0.8
133.10158	1.6
135.11729	1.6
147.11656	1.2
155.43040	0.7
157.10274	1.3
161.40344	0.8
175.11224	1.1
184.07397	3.3
185.04314	1.2
193.12436	1.2
195.00389	1.2
243.08563	2.6
267.16104	3.1
287.93781	0.7
311.25900	2.7
413.18115	1.6
469.20605	6.1
471.22116	1.2
487.34329	0.9
503.37646	2.2
519.29401	1.3
521.31073	3.5
691.40314	5.0
749.44434	100.0
750.44714	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01859	0.4
55.05511	1.2
57.03438	2.0
59.60445	0.3
61.02928	6.0
67.05506	6.8
69.03428	2.5
69.07080	1.3
71.01339	0.4
71.04992	1.2
73.02918	3.3
79.05489	3.5
80.05804	0.3
81.03426	1.8
81.07059	7.0
81.07845	0.3
83.04964	0.5
83.08630	1.3
85.02912	5.5
85.06546	0.9
86.09737	0.6
87.04491	0.8
91.03953	3.8
91.05479	2.3
93.07037	3.8
95.04951	0.8
95.08619	3.2
97.02895	5.2
97.06536	0.5
98.22606	0.7
99.04478	0.8
101.02375	2.1
103.03949	0.5
105.07062	1.2
107.08604	2.2
109.02909	0.6
109.06489	0.4
109.10149	1.5
111.08092	0.4
115.03944	0.4
117.07020	0.6
119.08620	0.9
121.10166	0.9
123.11746	1.0
127.03912	1.5
131.08569	0.7
133.10150	1.7
135.11723	1.3
145.04991	0.4
145.53969	0.3
147.11708	0.4
149.13280	1.2
151.11188	0.4
159.11775	1.0
169.12230	0.4
177.12880	0.4
184.07367	1.3
185.04234	0.6
187.13336	0.4
191.02972	0.3
203.05324	0.6
209.11566	0.5
218.73843	0.4
241.06984	0.3
243.08450	2.8
243.15945	0.8
253.14235	0.6
267.55338	0.3
309.86435	0.3
367.91116	0.3
427.19363	9.3
427.24872	0.6
428.19803	0.4
471.22064	3.4
519.29395	5.1
705.41687	5.4
706.41833	0.4
749.44385	100.0
750.44769	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01863	0.6
55.05515	1.4
57.03447	1.3
57.07076	0.7
61.02933	3.4
67.05505	6.0
69.03433	1.9
69.07077	1.1
71.05002	0.6
73.02924	2.7
79.05497	3.4
81.03414	1.6
81.07059	6.2
81.07497	0.4
82.68320	0.3
83.04974	0.4
83.08641	0.9
85.02907	4.1
86.09732	0.5
91.03960	2.8
91.05479	2.1
93.07043	4.0
95.04964	0.7
95.08603	4.0
97.02895	3.9
99.04477	0.6
99.08147	0.4
101.02406	1.4
105.07063	1.2
107.08600	2.7
109.02913	0.6
109.10192	1.1
112.91943	0.3
117.07054	0.6
119.08602	0.6
121.10178	1.5
126.53349	0.3
127.03912	1.5
131.08595	1.1
133.10168	0.8
135.11736	1.3
145.10173	0.5
147.11748	0.4
149.13234	2.2
157.10147	0.4
159.11719	0.8
163.14944	0.4
173.13164	0.5
177.12895	0.4
184.07327	2.2
185.04260	0.4
195.13867	0.5
198.85680	0.3
203.05382	0.3
225.17627	0.3
235.10997	0.3
235.13127	1.2
243.08411	2.2
291.15839	0.6
335.25934	0.4
375.25159	0.6
383.60263	0.4
426.01575	0.3
453.20990	8.2
519.29382	0.5
537.30341	6.4
587.39655	0.7
749.44379	100.0
750.44916	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	749.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01884	0.3
55.05289	0.2
55.05510	1.4
57.03438	2.1
59.42809	0.2
61.02930	5.1
67.05509	4.6
69.03432	2.5
69.07072	1.1
71.01365	0.5
71.05006	0.9
73.02925	3.6
79.05496	3.0
81.03406	1.3
81.07057	6.2
81.07504	0.4
83.04979	0.3
83.08638	0.6
85.02912	5.4
85.03403	0.4
85.06548	0.3
86.09710	0.7
87.04486	0.8
91.03957	3.2
91.05480	2.0
93.07056	3.3
95.04983	0.8
95.08606	3.2
97.02899	4.6
97.06556	0.4
97.10197	0.4
98.22687	0.6
99.04480	1.1
99.08081	0.3
101.02389	1.4
103.03973	0.5
105.07076	1.0
107.08592	1.7
109.02898	0.7
109.10134	1.2
117.07018	0.7
118.97039	0.3
119.08587	0.7
120.92072	0.2
121.10177	1.4
123.11733	0.6
125.00047	0.5
127.03901	1.4
131.08589	0.5
133.10155	0.7
135.11708	1.2
145.10149	0.3
145.91847	0.3
147.11703	0.3
147.44630	0.2
149.13309	0.9
159.11739	0.7
173.64333	0.3
184.07329	2.5
185.04288	0.7
187.13387	0.5
195.13992	0.3
203.05276	0.4
203.47359	0.3
209.11586	0.4
210.22861	0.3
239.88670	0.3
243.08363	2.0
243.15913	0.4
253.14204	0.9
335.25949	0.8
358.23633	0.3
427.19452	5.4
427.24860	0.4
470.21255	0.3
471.22134	2.0
519.29358	7.5
520.29895	0.4
525.18427	0.3
638.50830	0.3
655.92535	0.4
705.41876	5.4
749.44391	100.0
750.44769	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05516	1.0
57.03433	1.5
61.02929	5.0
67.05500	5.4
69.03434	4.1
69.07064	1.0
69.85312	0.9
71.05005	2.2
73.02920	3.8
76.32549	0.4
79.05493	3.2
81.03424	1.5
81.07056	4.1
83.04964	0.4
83.08633	0.8
85.02914	5.7
86.09740	0.9
91.03948	3.9
91.05473	1.9
93.07043	3.5
95.04951	0.5
95.08606	3.8
97.02892	4.4
97.06544	0.5
98.22626	0.4
99.04463	0.9
101.02395	1.5
105.07053	1.0
107.08586	1.8
109.02872	0.7
109.10150	2.5
115.03867	0.5
119.08615	1.2
121.10145	1.9
125.00008	0.7
127.03957	1.5
131.08600	0.8
133.10149	0.5
135.11674	2.1
137.09637	1.1
145.10164	0.5
149.51993	0.4
173.11826	0.6
184.07353	2.6
185.04297	1.0
185.07668	0.5
186.07828	0.4
195.00424	0.5
203.05458	0.6
230.87445	0.4
243.08354	1.8
243.16136	0.5
253.14111	1.7
335.25833	0.7
471.21991	4.8
519.29315	6.3
551.07623	0.4
749.44379	100.0
750.44556	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.01884	0.5
55.05518	0.8
57.03439	2.1
60.05657	0.4
61.02930	4.1
67.05518	4.1
69.03455	2.2
69.07075	1.5
70.49361	1.0
71.04981	0.9
73.02938	3.0
79.05482	2.9
81.03433	4.6
81.07069	3.0
83.05008	0.9
83.08605	0.6
85.02907	4.4
87.04512	0.5
91.03985	2.7
91.05492	5.9
93.07063	3.2
95.04990	1.3
95.08630	1.9
97.02909	3.2
97.06483	0.5
98.22718	0.6
98.23282	0.5
99.04452	0.5
101.02394	1.4
105.07056	2.0
107.08582	1.2
109.10204	1.4
117.07052	0.9
119.08594	5.0
121.06498	0.9
121.10165	0.8
121.85903	0.4
125.09599	0.4
127.03945	0.9
131.08539	0.7
133.10144	1.0
135.11707	0.6
137.09665	1.5
137.47421	0.5
153.19296	0.4
161.85222	0.5
165.09172	1.3
185.04268	0.6
203.05275	0.6
223.09453	0.6
229.07829	0.6
243.08458	2.7
258.25842	0.4
285.10135	0.6
287.11972	0.5
303.07043	0.5
311.24130	0.5
333.20416	2.0
369.40591	0.7
379.78906	0.5
414.18979	0.6
441.17401	10.5
453.21841	0.6
551.28479	3.6
751.38782	100.0
752.39050	7.8
752.51404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
55.05523	1.2
57.03445	1.6
57.46970	0.5
61.02938	4.2
67.05513	3.9
69.03432	2.3
69.07082	1.6
71.05015	0.7
73.02926	3.2
79.05508	3.5
81.03429	4.5
81.07059	4.2
82.35715	0.5
83.05004	1.0
83.08642	0.7
85.02914	5.5
91.03979	2.3
91.05492	5.5
93.07044	3.9
95.04980	0.9
95.08638	1.7
97.02903	4.5
97.06576	0.6
98.22902	0.5
101.02426	1.9
105.07053	1.1
107.08631	1.5
109.02902	0.5
109.06559	0.6
109.10188	2.2
117.07037	0.5
119.08591	5.3
121.06521	0.6
121.10199	1.3
126.07354	0.5
127.03943	1.9
129.07021	0.6
131.08577	0.6
135.08099	0.6
135.11760	0.8
137.09662	1.0
147.11723	0.6
159.11754	0.6
165.09186	1.3
171.38762	0.5
188.88216	0.4
243.08461	2.3
259.07947	0.6
267.15793	0.5
269.10657	0.6
279.12173	1.0
303.07031	0.5
317.18604	0.5
333.20462	1.8
423.27878	0.7
424.27795	0.6
427.30826	0.5
439.19717	0.6
441.17355	8.5
453.21017	0.8
551.28082	2.8
617.31549	0.5
653.30658	0.6
751.38788	100.0
752.38977	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	751.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01874	0.4
55.05512	1.1
57.03444	1.6
59.04990	0.6
61.02929	4.3
67.05505	4.2
69.03432	3.0
69.07067	1.0
69.64551	0.9
70.21867	0.3
71.01359	0.3
71.04994	1.0
73.02920	3.1
79.05493	2.8
81.03419	6.8
81.03900	0.4
81.07059	3.5
83.04989	0.6
83.08638	0.6
85.02905	5.1
85.03407	0.3
86.09711	0.4
87.04427	0.3
91.03963	2.8
91.05483	3.4
91.17699	0.2
93.07043	4.2
95.04943	0.6
95.08611	3.3
97.02891	4.0
97.06515	0.3
99.04459	0.9
101.02389	2.0
103.03922	0.3
105.07044	1.0
107.08611	1.4
109.02892	0.8
109.06522	0.3
109.10149	2.2
117.07027	0.6
119.08585	2.9
121.06529	1.1
121.10158	1.0
123.08086	0.5
123.11673	0.4
125.00050	0.3
125.09681	0.4
127.03926	1.5
129.07004	0.3
131.08585	0.8
133.10150	0.6
135.11754	0.6
137.09605	2.0
145.10118	0.3
147.08073	0.8
153.09177	0.6
159.11777	0.5
161.13373	0.3
165.09143	2.0
184.07332	2.1
185.04234	1.1
197.11879	0.3
201.07849	0.3
205.08522	0.3
239.12860	0.8
243.08348	2.4
255.12030	3.4
299.14963	0.4
311.14816	0.9
335.25903	0.7
413.18094	0.4
441.17490	0.8
455.18832	0.3
473.19934	12.7
519.29297	5.8
589.37543	0.4
739.16266	0.3
751.42401	100.0
752.42889	6.7
783.23474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01874	0.8
55.05509	1.6
57.03434	2.1
61.02932	4.9
67.05506	4.4
69.03429	3.7
69.07078	1.1
71.01350	0.5
71.05002	1.0
73.02921	3.8
79.05501	5.2
81.03431	2.2
81.07057	4.4
83.04988	0.5
83.08643	1.0
85.02907	5.8
87.04472	0.9
91.03957	3.3
91.04424	0.3
91.05482	3.7
93.07043	4.9
95.04985	1.0
95.08615	2.9
96.98814	0.3
97.02896	4.6
97.06560	0.4
99.04475	0.7
101.02404	1.9
103.03999	0.4
105.07045	2.2
107.08583	1.7
109.02917	0.6
109.10194	1.1
111.08130	0.5
117.07030	0.4
119.08620	1.2
121.10133	2.4
123.11730	0.7
127.03949	1.3
129.07001	0.4
131.08618	0.8
133.10165	0.9
135.11732	0.4
145.04994	0.4
145.10130	0.5
147.11739	1.1
149.09659	1.0
153.36967	0.3
157.10139	0.6
159.11751	0.6
173.13324	0.3
175.11259	0.4
179.68369	0.3
184.07300	0.3
185.04272	0.9
193.12297	0.4
203.05489	0.5
225.14932	0.4
229.14485	0.3
243.08418	1.8
268.84604	0.4
283.15149	5.0
299.29523	0.3
307.22754	0.8
320.00436	0.3
339.17792	0.4
345.72687	0.4
455.31198	0.3
491.26135	8.1
501.23004	4.0
528.87396	0.4
571.36572	0.4
705.36365	0.8
751.42383	100.0
752.42725	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	752.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01866	3.5
55.05504	5.6
57.03432	2.9
61.02917	1.2
65.03926	1.3
67.05517	6.1
69.03424	23.8
69.07039	1.9
69.27684	7.6
71.05000	8.2
77.03954	1.3
78.25993	1.1
79.05489	20.1
81.03415	58.6
81.07050	9.5
83.04978	5.1
85.02902	9.3
85.06516	1.8
91.05475	16.8
93.07042	46.7
95.04977	6.9
95.08607	2.6
95.64426	1.1
97.02889	12.4
97.06540	3.8
99.04453	17.1
101.02420	1.1
101.06007	1.7
103.05453	1.6
105.04504	1.4
105.07027	65.0
107.04967	2.8
107.08590	86.9
108.08919	2.3
109.02874	32.5
109.06512	4.6
111.04457	5.9
111.08092	1.5
115.05467	1.8
117.06998	7.6
119.08576	21.3
121.02884	1.4
121.06509	29.0
121.10142	31.2
123.04472	2.2
123.07999	1.4
127.03917	40.5
127.04869	1.9
129.06992	2.4
130.07784	3.4
131.08562	8.6
133.06471	2.7
133.10164	6.0
135.04451	2.0
135.08049	21.6
135.11684	20.8
137.05946	4.5
139.07541	1.9
143.08539	3.2
145.04910	2.2
145.10117	56.1
147.08037	2.2
147.11656	7.5
149.05966	4.1
149.09612	23.6
151.03859	1.2
155.08553	2.3
157.10136	1.9
158.07285	1.4
159.08064	3.8
161.06033	1.5
161.09598	8.1
163.03900	1.6
163.11176	97.9
164.11514	1.8
171.08133	2.0
173.09615	9.9
175.11186	2.2
177.09285	1.5
181.12210	11.9
183.08038	1.8
183.11696	1.8
187.07639	1.3
187.11139	2.9
189.09059	6.3
191.10661	100.0
192.10924	1.8
197.09576	1.8
203.10683	3.2
205.12172	1.2
207.10059	1.7
209.11725	29.6
211.11140	1.3
213.09180	1.9
215.10605	2.7
217.12222	1.7
219.06580	1.4
219.10141	1.9
227.12752	38.1
229.12265	3.0
235.05992	1.6
241.12273	1.6
243.10156	2.9
251.12704	2.9
253.12172	4.6
257.11679	2.2
269.14005	1.6
271.13269	6.3
281.11542	3.1
289.14426	2.1
299.12732	9.2
307.15558	1.9
317.13843	21.4
335.14865	30.0
336.15491	1.3
353.15939	58.9
354.16049	2.0
371.16934	2.7
377.15967	2.2
395.16788	3.4
397.16449	9.8
415.17392	2.7
443.16986	2.9
461.17896	13.5
479.19073	18.8
497.13345	2.2
497.20190	31.7
515.21509	6.1
521.11957	1.2
705.59442	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	752.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01613	0.9
55.01873	11.1
55.05511	11.6
57.03443	2.7
57.07071	0.7
59.05008	0.6
60.07677	0.5
61.02900	0.5
65.03948	1.6
67.05502	24.3
68.66097	0.5
69.03420	0.9
69.07069	15.5
69.07442	1.0
71.04993	1.8
73.06557	0.8
75.37650	0.6
77.03932	1.1
78.23003	0.5
79.05492	31.0
81.03421	5.2
81.07056	31.0
83.04980	6.8
83.08629	3.7
85.02924	1.2
85.06534	1.1
91.05481	33.4
91.07993	0.5
92.05802	0.6
93.07045	27.0
95.01306	4.0
95.04970	10.8
95.08609	18.4
97.02894	0.6
97.06531	22.3
97.10179	2.3
98.06857	0.6
98.22646	1.4
99.08079	0.7
103.05437	1.0
105.04535	1.7
105.07030	45.2
106.07381	0.9
107.04955	9.9
107.08589	10.9
107.09251	0.8
109.06521	2.5
109.10163	4.5
111.08115	1.2
113.09608	0.6
117.07035	7.6
119.08584	22.2
121.06524	2.3
121.10165	4.7
123.04456	1.4
123.08080	3.4
123.11739	1.4
125.09652	1.1
128.06221	1.3
129.07021	5.4
131.08557	10.7
133.06491	1.0
133.10123	21.9
135.08087	2.3
135.11710	3.4
137.09615	1.2
141.06985	1.6
143.08572	3.6
145.06538	1.1
145.10120	9.1
147.08078	1.5
147.11684	16.1
148.12045	0.5
149.09615	4.6
149.13301	1.9
151.11227	0.5
155.08562	1.0
157.10147	1.5
159.11697	5.0
161.09616	1.6
161.13239	6.0
163.11153	3.2
165.09108	1.1
165.12918	0.6
169.10228	1.2
171.11678	7.3
173.13272	1.6
177.12770	1.9
177.39861	0.5
179.14281	6.1
183.11737	1.3
187.11227	1.4
189.12766	2.4
207.13803	4.3
239.17950	0.8
244.21323	0.5
247.20473	1.2
257.19037	3.2
259.20599	1.1
263.16391	0.8
272.49768	0.6
275.20065	36.4
276.20541	1.3
279.15939	3.7
281.17477	27.8
282.17999	0.9
293.21210	2.3
349.23737	15.1
349.27731	1.0
377.23108	0.7
537.35773	2.2
543.90509	0.5
546.61292	0.5
555.36798	100.0
556.37134	5.3
573.38171	1.2
752.42352	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	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.05506	8.4
57.03434	18.1
57.06815	2.8
57.07077	34.1
67.05505	14.5
69.03429	2.4
69.07061	8.8
69.53691	1.4
70.01343	1.8
70.01698	5.0
71.05000	1.7
71.08632	26.6
77.92907	1.7
79.05479	7.0
81.03418	79.1
81.07048	19.9
83.04986	3.7
83.08621	27.5
85.10186	17.0
90.37037	1.5
91.05483	14.4
93.07053	6.0
95.04960	20.2
95.08607	21.7
97.02909	3.2
97.06547	1.6
97.10178	9.0
97.84487	1.3
105.07040	7.9
107.04969	4.0
107.08601	5.5
109.06567	1.7
109.10152	11.4
111.04458	2.3
111.08083	4.9
113.60313	1.3
117.07043	2.0
117.48904	1.5
119.08574	9.8
121.06538	1.8
121.10155	4.9
123.08121	1.5
123.11740	4.2
129.07022	6.6
131.08595	7.8
133.06558	2.8
133.10164	3.7
137.09686	2.8
147.08037	4.2
147.11684	7.0
149.09602	4.3
152.15160	1.5
157.10147	10.2
163.11209	1.7
175.11168	12.1
193.12234	28.3
211.13281	2.8
220.06514	1.3
239.23747	2.4
249.14833	2.3
257.24829	2.1
267.15906	99.3
268.16284	2.5
313.27356	100.0
314.27628	3.3
327.72977	1.6
402.54993	1.5
505.38864	69.1
506.38907	2.5
545.98285	1.4
547.39868	4.3
616.52777	1.4
681.20441	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	753.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.20593	0.6
55.05508	1.8
57.03428	1.7
57.07085	0.6
61.02925	4.1
67.05499	5.0
69.03430	2.4
69.07072	2.1
69.23180	2.9
71.04982	0.9
71.08671	0.7
73.02914	3.2
77.12424	0.5
79.05483	3.1
81.03422	2.5
81.07053	6.4
83.04994	0.9
83.08624	1.1
85.02901	5.3
87.04475	1.1
91.03967	3.1
91.05479	3.0
93.07052	1.8
95.04972	1.3
95.08588	3.5
97.02874	3.6
101.02388	2.1
105.07053	1.5
107.08610	1.2
109.10184	1.2
119.08594	1.7
121.10159	0.9
127.03956	1.2
131.08609	0.8
133.10149	1.1
136.13004	0.6
147.11737	1.0
149.09590	0.9
161.13287	0.7
193.12346	0.9
243.08495	1.4
283.15091	4.4
309.24100	1.0
352.38904	0.6
368.38177	0.6
493.27612	7.7
494.59869	0.7
501.23041	6.3
564.70135	0.8
753.43884	100.0
754.44354	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01876	11.3
55.05515	31.6
57.03437	18.9
57.07073	2.9
59.05009	3.2
61.02929	2.9
65.03952	3.1
67.05157	3.7
67.05508	56.6
69.03427	15.4
69.07076	13.1
71.01362	2.4
71.04998	12.9
71.43896	1.6
73.02937	3.2
77.03947	1.8
79.05496	44.7
80.06292	2.0
81.03424	100.0
81.07063	48.8
82.04217	2.8
83.04979	27.7
83.05436	2.2
83.08624	26.5
85.02911	24.2
85.06543	6.2
87.04456	2.3
90.60208	1.6
91.05485	46.0
91.06063	3.2
93.07048	29.9
94.04178	1.7
95.04980	44.7
95.08605	19.1
97.02896	17.3
97.06539	12.6
97.10180	17.2
98.03682	7.1
98.07352	2.3
99.04474	6.1
99.08131	3.1
101.06047	1.8
103.05492	2.0
105.07037	29.4
107.04958	23.6
107.08603	19.8
109.02878	6.9
109.06528	8.2
109.10159	24.3
110.07323	4.6
111.04446	8.9
111.08088	17.3
113.06021	4.3
116.04725	2.4
117.07002	10.1
117.54080	1.6
119.04948	2.1
119.08591	25.9
119.59044	1.7
120.97124	1.7
121.06492	7.8
121.10160	25.2
123.04426	6.8
123.08083	6.4
123.11699	3.0
125.05981	2.2
125.09643	14.7
127.03903	8.3
129.05498	7.4
129.07011	16.9
131.08563	21.2
133.06516	3.1
133.10150	14.8
135.04443	2.8
135.08066	3.1
135.11699	8.8
137.09625	5.0
139.07503	2.2
141.07072	1.9
145.06577	1.6
145.10143	15.6
147.08076	4.4
147.11691	20.0
149.09651	11.5
149.13319	2.4
151.11205	1.9
153.05406	1.6
153.09137	5.1
153.12776	6.1
157.08800	3.2
157.10139	15.9
159.11748	2.9
163.11212	15.4
165.12756	3.4
173.04482	17.0
173.09599	3.0
173.11766	7.7
175.11194	14.6
181.12244	5.2
187.11183	1.8
189.11263	6.3
191.10643	9.1
193.12247	55.0
199.06036	7.0
199.13304	8.9
203.81787	1.7
209.11710	9.9
211.13293	60.5
224.14131	2.4
227.12787	15.7
229.14316	10.9
247.13387	2.3
255.16023	2.3
259.15448	2.5
265.14511	2.6
267.15897	44.2
283.15384	15.9
285.16974	25.6
301.16592	9.0
315.18045	12.3
320.29874	1.7
383.22333	3.4
409.25748	3.0
411.20218	2.7
421.25778	6.6
427.19989	3.5
427.26154	3.3
435.27359	6.0
439.26923	43.1
440.27225	2.0
445.20621	4.7
457.25958	4.3
461.28848	9.8
475.27130	12.1
476.27515	4.2
477.28284	3.4
493.27878	15.0
494.28827	2.6
507.29507	21.0
508.30136	2.0
511.29041	11.2
621.32458	2.4
638.33136	2.9
639.33374	3.2
655.33295	9.3
661.27734	2.2
730.71704	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	754.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01866	3.6
55.05516	28.5
57.03446	10.8
57.07068	6.8
60.08154	2.2
61.02917	5.1
61.11526	1.8
65.03946	2.1
67.05508	64.3
69.03432	5.8
69.07064	17.2
71.05015	4.2
71.08614	3.4
79.05493	42.4
81.03429	8.6
81.07060	55.5
83.04986	6.5
83.08624	13.3
85.02907	6.7
85.06528	2.6
86.09713	8.5
89.15620	2.1
91.03991	2.7
91.05488	26.8
93.07047	43.8
95.04977	17.2
95.08613	32.5
97.02895	2.8
97.06548	5.9
97.10164	11.9
98.23511	4.0
99.08123	2.4
104.91514	1.9
105.07033	15.2
107.04963	5.9
107.08597	25.2
109.06526	6.1
109.10162	24.0
111.08073	1.9
117.06312	2.3
117.07014	12.6
119.08581	12.5
121.06521	3.9
121.10150	16.5
123.08039	2.7
123.11723	2.7
125.00005	2.9
125.09641	13.8
129.07004	3.4
131.08568	13.5
133.10124	8.3
135.08014	4.0
135.11703	8.7
141.07030	2.2
143.08665	2.0
145.10153	8.6
147.11691	6.6
149.09613	2.6
149.13257	7.8
149.30214	1.6
157.10127	3.3
158.69038	1.9
159.11671	6.4
161.13264	3.9
163.14828	1.8
169.10109	4.1
173.11729	4.4
173.13219	3.8
177.12755	3.1
183.11696	2.2
184.07349	31.6
187.11215	3.3
187.14854	2.3
189.11215	6.8
205.12262	3.8
223.13292	38.4
227.12860	10.0
229.14346	14.3
243.21173	4.0
255.68367	1.9
261.22110	13.2
266.55121	1.8
279.15912	8.3
297.16980	100.0
301.16510	3.8
309.67752	2.0
313.27435	12.6
329.24771	2.0
335.25818	60.4
465.33408	2.8
467.37341	2.1
489.35583	6.3
539.38080	6.1
544.23456	2.4
557.38495	46.5
558.38501	4.2
650.43524	2.0
754.45203	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01869	3.3
55.05513	29.9
57.03433	8.1
57.07073	3.5
65.03944	4.1
67.05506	71.7
67.91324	1.8
69.03431	1.7
69.07069	18.4
71.05011	4.0
77.03931	3.7
79.05495	94.3
81.03426	10.1
81.07056	65.0
83.04977	9.2
83.08624	10.6
85.06557	5.2
91.05479	100.0
93.07042	90.1
95.04973	25.0
95.08611	39.7
97.06536	5.1
97.10165	3.1
98.22638	5.1
99.08093	3.7
103.05445	2.3
105.04532	4.1
105.07030	82.3
107.04936	9.8
107.08591	36.8
109.06518	5.7
109.10165	10.0
112.32318	1.5
113.09604	1.7
115.05472	3.1
117.07005	20.0
119.08577	74.4
119.90347	1.5
121.06509	3.3
121.10143	20.2
123.08096	5.2
123.11650	2.9
128.06183	3.5
129.07008	25.5
130.07785	3.6
131.08568	23.4
133.10123	36.9
135.11694	15.3
141.06953	2.0
143.08589	16.9
145.10121	23.5
146.89888	1.5
147.08060	3.2
147.11685	66.3
149.09641	2.7
149.13269	9.1
155.08510	4.2
156.09294	2.8
157.10103	8.8
159.11682	18.1
161.09685	4.0
161.13263	29.8
163.14804	2.5
169.10139	3.3
171.11687	28.1
173.13316	10.6
175.11240	2.1
175.13560	1.5
175.14799	10.3
177.12766	3.8
183.11665	3.8
185.13228	9.2
187.11263	1.9
187.14838	3.6
189.12816	8.2
199.14836	4.1
207.13849	21.0
211.14928	1.9
213.16376	3.3
230.67809	1.6
231.21100	3.6
239.17783	2.2
241.19510	28.5
257.18997	3.1
259.20575	67.5
260.20807	2.3
261.22147	5.1
275.20099	2.5
279.15839	18.8
281.17484	77.9
282.17935	2.1
283.19122	2.6
295.20670	1.9
297.16882	2.6
315.23193	7.5
324.91992	2.0
333.24268	53.1
447.32657	9.2
465.33502	7.4
483.34561	5.2
521.35992	3.6
529.38770	2.2
539.37305	91.9
540.37482	6.4
557.38458	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	756.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01875	14.2
55.05511	39.2
57.03437	28.6
57.07078	2.0
59.05003	47.9
61.02917	7.6
65.03941	3.0
67.05508	100.0
69.03426	8.9
69.07067	13.7
71.01339	3.5
71.04997	15.8
73.02902	7.3
79.05045	1.9
79.05498	31.0
80.06308	2.1
81.03423	29.4
81.07053	37.9
82.04181	4.0
83.04991	15.3
83.08627	14.8
85.02921	12.2
85.06537	5.3
87.03967	3.1
87.04470	47.1
91.03914	1.8
91.05478	28.8
91.42697	1.4
93.07052	21.5
95.04970	17.8
95.08614	15.8
97.02890	10.1
97.06537	9.1
97.10171	23.2
98.07310	3.2
99.04462	10.6
99.08121	1.9
100.39642	1.6
103.03925	1.6
103.49279	1.6
105.07055	14.3
107.04967	7.4
107.08601	20.2
109.02885	3.0
109.06508	4.2
109.10162	65.8
111.04431	5.4
111.08094	8.4
113.06070	1.5
115.05415	1.9
116.04729	9.6
117.05507	2.3
117.07026	6.1
119.08571	15.4
119.50732	1.4
120.28362	1.7
121.06470	4.5
121.10139	8.6
123.08067	4.6
125.09617	23.0
127.03911	1.9
127.11132	1.8
129.05470	23.0
129.07025	5.0
131.08560	7.3
133.10152	7.6
135.08041	3.9
135.11667	5.7
137.09598	5.6
143.07013	5.3
145.10135	5.9
147.08002	2.5
147.11690	7.3
149.09599	3.9
153.09076	1.8
153.12721	3.4
155.10663	5.2
157.08614	12.3
157.10141	4.7
158.05734	2.5
159.11690	2.6
163.11189	13.3
164.11862	2.3
171.06494	3.3
171.10170	7.1
173.04190	2.2
173.11723	25.5
175.11081	3.4
181.12134	2.3
185.08046	2.6
185.11708	1.7
189.11255	5.5
191.10710	4.4
193.12233	8.0
196.34081	1.5
199.09679	3.5
199.13228	10.6
200.14021	4.2
201.14850	1.9
209.11742	10.5
211.13295	4.3
223.13176	1.8
227.12733	11.7
229.14352	59.8
241.14307	4.3
243.15872	1.9
251.74063	1.5
255.15900	4.4
257.13904	2.6
267.15927	13.0
269.17615	2.9
283.15430	14.6
284.16037	3.2
285.16989	3.5
301.16501	36.5
301.19891	2.3
326.24527	2.4
371.24182	3.3
383.24130	4.3
391.07489	1.5
397.26068	2.6
421.25641	4.3
437.25497	2.9
438.26108	5.0
443.26642	2.1
451.26743	2.5
455.26398	42.7
459.27420	4.4
477.28210	7.0
491.66504	2.0
495.29337	4.6
509.31281	2.6
527.31848	1.9
541.30023	22.9
559.30762	11.2
756.36157	1.6
757.35297	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	756.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01875	17.1
55.05511	46.3
57.03437	26.6
57.07064	3.5
59.05000	41.2
61.02925	6.8
65.03937	3.5
67.05505	100.0
69.03431	10.4
69.07066	12.3
71.01347	2.6
71.04998	15.1
73.02919	6.5
79.05494	37.8
79.98486	1.3
81.03413	26.9
81.07056	41.9
82.04201	4.4
83.04980	14.4
83.08624	19.2
84.05750	1.6
85.02905	11.7
85.06552	6.7
87.04469	50.3
91.05478	30.4
93.07047	22.8
95.04978	18.7
95.08599	17.4
97.02901	7.6
97.06538	11.0
97.10171	34.7
98.07330	3.7
98.22726	4.3
99.04451	18.8
99.08108	2.0
101.05971	1.9
105.04519	2.0
105.07029	13.9
107.04945	8.3
107.08591	23.2
109.02921	2.5
109.06525	8.0
109.10156	67.7
111.04443	7.2
111.08102	4.9
113.10963	1.3
116.04699	11.7
117.07014	7.3
119.08601	13.4
121.06510	4.6
121.10168	10.0
123.04430	3.2
123.08095	6.4
125.05972	2.3
125.09630	30.9
127.03914	2.7
127.11237	2.8
129.05482	26.0
129.07007	6.3
131.08568	9.1
131.61287	1.4
133.10126	7.5
135.08046	2.5
135.11714	8.1
137.09618	6.5
143.07033	6.1
143.10681	3.9
145.10133	9.4
147.08023	2.7
147.11687	5.9
149.09616	6.1
151.11168	2.9
153.09105	2.1
153.12766	4.7
155.10661	4.9
157.08606	11.6
157.10066	2.8
163.11203	16.5
165.09245	1.4
171.06578	3.2
171.10193	5.6
173.09604	2.4
173.10199	1.7
173.11731	25.5
175.11208	4.7
177.12772	1.8
181.12238	4.0
189.11215	9.2
191.10701	5.9
193.12198	6.9
199.09618	3.4
199.13316	18.6
200.14049	3.7
202.67590	1.4
209.11700	15.2
211.13280	3.6
217.14392	3.6
223.13248	3.6
227.12804	18.1
229.14345	58.7
241.14398	4.4
255.15982	4.8
257.13889	3.1
259.54965	1.8
267.15936	11.8
268.16330	2.1
269.17456	6.5
271.15244	2.0
283.15396	14.5
284.16071	1.9
285.17044	2.4
297.16946	1.6
301.16470	53.1
301.19775	2.2
311.18610	1.9
315.17932	7.1
326.24753	1.9
371.24194	2.9
383.24060	3.8
397.25885	2.3
409.25778	1.9
421.25803	4.9
423.27719	1.7
425.25433	2.1
437.25281	3.1
438.26071	4.9
443.26294	5.3
451.27271	2.3
455.26312	42.5
456.27023	1.7
458.79373	1.4
459.26898	1.9
477.28055	4.2
479.30075	1.9
495.29654	2.5
506.03226	1.9
509.29254	1.6
527.32843	1.8
541.29919	23.3
559.09503	1.7
559.31091	19.0
652.23047	1.6
756.36176	2.6
757.35651	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	756.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01871	4.5
55.05509	31.6
56.96574	2.1
57.03432	11.9
57.07063	2.1
59.04999	22.9
60.34535	1.5
61.02911	3.1
65.03938	4.3
66.95686	1.4
67.05502	100.0
69.03423	3.7
69.07053	11.4
69.07622	1.5
69.59012	5.2
71.04992	42.0
73.02935	1.9
79.05488	30.0
81.03413	6.1
81.07052	88.8
83.04977	7.3
83.08614	13.5
85.02911	5.2
85.06538	11.5
87.04464	24.6
91.05472	28.9
93.07031	20.5
95.04967	7.1
95.08611	15.8
97.02886	4.1
97.06523	8.7
97.10159	15.9
98.22790	2.9
99.04450	15.9
99.08103	2.4
105.07038	15.8
107.04978	2.6
107.08587	19.7
109.06510	3.1
109.10153	57.4
111.04422	2.8
111.08083	5.6
117.07014	5.3
119.08584	5.8
121.06450	1.6
121.10137	6.2
123.08071	1.9
123.11699	17.6
125.09641	12.2
127.03963	1.7
127.58183	1.5
131.08568	5.8
133.10114	21.4
135.08087	1.5
135.11684	5.8
137.09637	2.1
145.10071	3.0
149.09610	2.9
149.13272	7.2
151.11147	8.4
153.12729	2.5
155.10649	2.1
159.11702	4.5
163.11249	3.9
169.12253	3.6
173.04448	2.4
173.11748	10.9
177.12758	4.9
183.13866	5.3
187.13359	9.8
193.12279	3.1
195.13818	3.7
199.13310	7.0
201.14946	1.8
209.11690	3.4
213.14781	1.7
215.59241	1.6
225.14832	2.4
227.12772	6.6
229.14320	16.2
241.14369	5.4
243.15886	3.9
257.13715	2.4
257.17471	3.7
267.09024	4.6
267.15851	2.6
269.05283	1.6
269.10565	3.3
269.17548	9.5
270.68353	1.9
271.06830	1.5
283.15366	1.9
285.10071	2.9
301.16873	2.6
301.20111	22.2
315.18005	7.9
329.19461	2.1
367.24783	15.7
393.26315	1.7
397.25818	82.9
398.26105	3.8
411.27353	13.6
423.27396	17.0
433.25787	1.8
435.27206	2.9
443.30038	10.8
451.27167	8.2
455.30020	50.7
483.29608	13.0
485.16913	4.0
487.18512	2.2
509.31125	3.7
527.32068	2.7
541.33862	2.5
559.34930	5.8
675.26532	2.1
756.39886	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	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05257	1.0
55.05510	12.6
57.03437	7.1
67.05503	14.9
69.03419	2.3
69.07071	4.1
69.38786	0.9
70.74895	0.8
71.04996	2.8
72.57397	0.7
79.05492	17.5
81.03416	45.7
81.07053	15.6
83.04981	2.7
83.08627	12.4
85.06574	1.4
87.67588	0.6
91.05475	12.3
93.07047	14.3
95.04967	17.2
95.08603	8.0
97.02878	1.7
97.06533	2.9
97.10165	13.4
97.69550	0.6
98.10513	0.8
105.07026	11.8
107.04954	10.8
107.08584	10.0
109.06503	8.1
109.10116	4.4
110.25029	0.6
111.04486	1.1
111.08057	4.3
115.05482	0.9
117.07034	3.7
119.04960	0.9
119.08583	10.2
121.06506	9.2
121.10130	7.8
123.08057	3.5
125.09637	13.0
129.06992	6.1
131.04932	1.2
131.08565	7.9
133.06491	3.4
133.10139	3.7
135.08047	4.6
135.11646	1.7
137.05984	0.7
137.09679	1.1
141.07027	0.9
142.07794	1.5
143.08571	1.5
145.06458	3.6
145.10146	3.9
147.04440	0.9
147.08031	4.6
147.11665	5.6
149.09624	3.3
153.09108	2.8
155.08568	2.3
157.06450	0.9
157.10123	5.6
159.08083	1.4
159.11673	1.6
161.06000	1.0
161.09602	1.2
163.11201	3.3
165.12782	1.7
167.10757	0.9
169.06424	0.9
169.10226	1.0
171.08113	2.0
171.10309	1.6
171.11746	1.9
173.09604	1.1
173.13193	1.7
175.11179	5.8
177.12846	0.8
181.10149	0.7
189.11227	4.5
189.12698	1.1
191.14287	1.1
193.12256	12.9
195.08041	1.1
195.11726	1.0
197.13248	1.2
199.11111	1.0
201.12669	1.1
205.12329	1.9
209.13493	0.7
211.11284	0.9
211.13245	1.4
213.12711	0.9
215.14345	1.3
217.12263	1.4
219.13870	2.0
223.11195	0.9
223.13327	2.1
227.12785	2.5
231.13866	1.0
233.15291	3.5
237.12811	1.1
249.14851	1.4
255.13797	1.5
257.15298	1.0
259.13272	1.0
263.53293	0.7
267.15900	36.3
268.16150	1.2
269.04968	0.7
273.14819	5.1
273.17130	0.7
287.16608	0.8
293.17355	0.7
338.73853	0.8
339.23126	2.1
349.21671	4.4
357.24252	2.1
367.22699	11.2
368.23331	1.1
385.23724	20.3
386.24207	0.9
403.24777	7.4
423.25330	0.9
441.26352	9.9
459.27405	100.0
460.27744	5.6
477.28482	92.6
477.35684	1.6
478.28973	5.4
491.30035	13.2
492.30280	1.1
501.28506	2.1
509.30975	6.8
541.33539	1.2
567.29419	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	756.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.89547	1.2
55.01866	4.3
55.05262	2.1
55.05511	27.5
55.05777	1.7
57.03439	12.5
59.05003	25.1
61.02916	5.5
65.03925	1.2
67.05505	100.0
69.03419	5.3
69.07057	10.1
71.04993	39.4
73.02908	1.5
75.04984	1.2
79.05490	26.6
81.03428	7.0
81.07056	99.3
83.01355	1.3
83.04984	6.8
83.08623	16.6
85.02898	6.1
85.06546	10.1
87.04465	30.8
91.03957	1.3
91.05481	30.7
93.07043	21.6
95.04991	6.3
95.08600	13.4
97.02881	4.4
97.06523	7.5
97.10172	13.2
97.46716	1.3
99.04452	13.0
99.08066	1.7
105.04491	1.4
105.07016	13.6
107.04968	1.9
107.08591	19.1
109.06528	3.9
109.10152	61.8
111.04417	2.6
111.08081	5.1
115.03931	1.3
117.06990	5.7
118.83228	1.2
119.08576	7.2
121.06506	1.7
121.10138	7.5
123.11707	15.3
125.05984	1.5
125.09616	11.4
129.06963	1.5
131.08556	5.0
133.10130	18.0
135.11691	4.4
137.09647	2.1
143.10670	1.7
143.72971	1.2
145.10120	3.4
149.09685	1.3
149.13257	5.5
151.11209	9.6
153.12720	2.3
155.10629	4.2
159.11681	5.7
163.11174	4.3
169.09885	1.3
169.12260	2.4
173.04440	1.7
173.09636	1.5
173.11749	13.1
177.12729	4.0
183.13829	3.8
187.13310	6.4
193.12137	2.4
195.13812	5.4
199.13309	5.2
201.14877	1.8
209.11732	2.8
213.14838	2.3
223.13242	2.1
225.14801	1.6
227.12790	5.0
229.14319	20.8
241.14360	4.1
243.15921	4.3
247.03809	1.3
257.17514	3.5
267.15851	5.6
269.17471	12.0
269.22861	1.3
279.16095	1.3
283.15405	2.6
283.18695	1.3
285.17007	2.9
301.16617	1.6
301.20032	22.7
315.18091	10.8
329.19604	2.8
345.10901	1.5
367.24771	11.2
397.25830	81.1
398.26157	3.0
399.27219	2.4
411.27286	12.8
423.27402	17.2
425.29004	2.0
427.26596	1.3
433.25735	2.1
437.29080	2.3
443.30008	10.6
451.26736	7.5
455.30060	59.1
456.30276	3.8
463.30402	3.2
483.29538	8.7
495.32999	1.5
497.21558	1.2
509.30902	1.6
527.31775	3.0
541.34412	1.9
559.34808	5.3
599.30664	1.5
644.77094	1.4
756.39832	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.2
53.00507	0.5
53.03921	2.4
55.01873	3.9
55.05511	20.8
55.63106	0.5
57.03439	13.3
57.07053	2.1
59.04978	1.7
61.02925	4.4
65.03934	1.5
67.05505	48.2
69.03419	2.8
69.07069	9.5
71.01352	1.2
71.04979	2.5
73.02902	1.7
77.03922	1.1
79.05492	33.6
81.03413	4.1
81.07056	49.9
83.04984	3.5
83.08622	12.7
85.02912	3.9
85.06548	2.9
86.09683	1.2
91.03945	1.7
91.05480	30.1
93.07043	40.8
95.04970	7.4
95.08606	34.6
96.04499	0.7
96.08963	0.6
97.02892	6.7
97.06541	4.1
97.10184	3.0
99.00814	15.2
99.04439	1.2
99.08076	0.9
103.05435	1.3
105.04498	1.5
105.07025	24.1
105.07731	1.2
107.04974	5.5
107.08594	21.7
109.02873	9.7
109.06525	3.5
109.10152	17.9
111.04423	1.3
111.08070	3.4
112.42413	0.6
115.03928	2.1
117.07019	7.7
119.08582	14.5
121.02874	0.9
121.06503	5.2
121.10143	16.1
123.04417	1.1
123.08040	2.2
123.11698	6.8
125.09659	0.9
127.03894	2.5
128.06200	1.9
129.06999	1.8
131.08557	9.0
133.06493	1.2
133.10127	38.3
135.08063	1.5
135.11690	11.2
137.05968	1.9
137.09584	1.6
137.13292	1.0
139.07515	2.0
143.08566	5.0
145.06509	1.5
145.10121	5.1
147.08051	1.1
147.11659	4.9
149.09605	1.1
149.13261	5.9
151.11176	10.9
157.10052	0.8
159.11678	4.5
161.09610	16.3
161.13239	3.9
163.07561	0.7
163.11217	1.1
163.14825	3.3
165.12627	0.9
171.08034	2.7
173.13258	2.8
175.14830	1.3
177.16408	0.8
179.10687	9.0
179.14377	0.9
184.07339	2.6
185.13370	0.7
187.14812	2.1
189.09109	8.7
197.11749	2.2
201.16336	0.6
207.10107	3.5
225.11166	12.7
227.12871	1.3
233.22684	0.9
243.12292	2.7
243.21118	4.8
253.14452	0.9
257.57816	0.6
259.20673	0.8
261.22116	18.8
273.98065	0.8
277.21680	1.7
279.23145	1.4
281.13831	4.3
299.14883	89.3
300.15234	1.7
315.23264	3.4
317.24695	3.7
335.25790	100.0
336.26242	3.9
421.30927	1.2
439.32104	0.9
449.30627	1.7
453.65668	0.7
467.31400	3.4
479.29929	2.5
485.32739	1.9
513.35620	2.8
515.37158	1.2
531.36871	2.1
541.35028	8.1
545.38531	1.0
559.36267	54.6
560.36420	2.2
577.36792	1.7
756.43933	1.3
760.76367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	3.2
53.03939	2.2
55.01868	3.7
55.05256	1.1
55.05510	18.0
57.03438	9.8
57.07076	1.9
59.04996	1.7
61.02921	3.6
65.03926	1.1
67.05504	43.1
67.45093	0.7
69.03419	2.5
69.07065	9.6
71.01340	0.9
71.04991	1.9
73.02917	1.8
77.03918	0.7
79.05492	25.4
81.03407	3.7
81.07053	43.8
83.04971	2.9
83.08617	11.4
85.02906	3.7
85.06548	3.0
86.09695	0.8
91.03944	1.4
91.05039	0.6
91.05475	26.6
93.07041	33.3
93.56672	0.7
95.04974	6.6
95.08601	27.7
97.02887	4.8
97.06508	3.8
97.10156	2.9
99.00818	13.5
99.08099	1.0
103.05460	1.2
105.04524	1.6
105.07024	22.8
107.04946	5.5
107.08594	18.7
109.02878	9.7
109.06507	2.8
109.10143	15.5
111.04453	1.3
111.08082	3.5
113.05981	0.8
115.03901	2.8
115.05437	0.7
117.07021	5.0
119.08578	12.6
121.06489	5.3
121.10141	12.6
123.04410	1.2
123.08070	1.3
123.11706	5.6
125.09628	1.4
127.03920	2.7
128.06221	1.9
129.06969	1.4
131.08562	7.8
133.06490	1.8
133.10123	36.5
134.10416	0.8
135.08080	1.7
135.11696	8.9
137.05992	1.4
137.09584	0.8
137.13237	1.0
138.79628	0.7
139.07483	2.9
143.08580	3.9
145.06514	0.8
145.10104	5.3
147.08055	1.1
147.11647	3.9
149.09685	1.2
149.13248	4.0
151.11179	10.1
157.10098	0.9
159.11729	3.4
161.09604	14.4
161.13300	3.0
163.11136	1.2
163.14838	2.4
169.09993	0.6
171.08052	4.0
171.11629	0.9
173.13240	2.6
175.14804	1.0
175.98914	0.6
177.16379	0.7
179.10690	6.6
179.14207	0.7
184.07333	1.8
187.14804	2.1
189.09084	7.3
197.11720	2.5
207.10257	3.4
211.13290	1.3
225.11209	13.7
227.12714	1.2
243.12311	2.9
243.21080	5.2
260.01392	0.6
261.22116	15.3
267.15903	0.8
277.21539	1.2
279.23087	0.9
281.13913	3.6
285.16986	2.5
299.14877	100.0
300.15195	1.7
315.23123	2.9
317.24600	3.3
335.25778	75.8
336.26160	2.6
353.26920	0.7
442.99576	0.7
449.30634	2.1
467.31580	3.9
485.32492	2.7
513.35419	3.3
515.37408	1.0
531.36774	2.2
541.35010	6.4
545.38251	1.5
559.36267	36.3
560.36365	2.8
577.36835	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	756.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01878	4.5
55.05517	16.4
57.03448	8.0
57.07051	1.4
59.04977	0.6
61.02905	1.5
64.55789	0.5
65.03918	1.7
67.05512	42.3
68.05823	0.8
69.03442	6.2
69.07079	24.0
69.47073	1.9
71.05006	2.5
71.08614	0.6
73.02885	0.8
77.03920	1.2
79.05502	30.2
81.03437	4.7
81.07066	46.3
82.07350	0.7
83.04984	5.6
83.08629	12.4
85.02882	1.3
85.06557	2.5
91.03902	0.6
91.05490	19.1
93.07056	35.0
94.07358	0.5
95.04437	0.6
95.04976	7.3
95.08041	0.8
95.08616	14.8
97.02912	7.3
97.05962	0.7
97.06533	8.0
97.09621	0.6
97.10185	9.7
99.04424	0.6
99.08066	1.4
105.04504	1.6
105.06369	0.5
105.07042	11.1
107.04951	4.2
107.08606	22.0
108.08952	0.7
109.02843	0.7
109.06516	3.3
109.10161	5.9
111.04370	0.6
111.08090	5.0
113.05973	0.7
113.09637	0.7
117.07029	8.7
119.04955	0.7
119.08587	8.7
121.06527	3.7
121.10165	11.7
123.04440	0.8
123.08077	2.9
123.11675	1.4
125.09637	6.4
129.07019	2.4
130.07779	0.6
131.07683	0.7
131.08575	9.8
133.06474	1.9
133.10143	8.0
135.08064	2.8
135.11694	6.2
137.09589	0.9
139.11224	0.7
143.08556	2.7
145.06602	0.5
145.10139	4.0
147.08105	3.8
147.11703	2.6
149.09599	2.0
149.12099	1.0
149.13266	15.3
151.11185	1.7
153.09099	0.7
153.12819	0.6
155.08568	0.7
157.10112	1.8
159.08092	0.6
159.11710	8.0
161.09634	2.7
163.11205	2.5
165.09100	0.9
169.10168	0.6
169.12338	0.5
171.10223	0.7
171.11713	1.3
173.13283	0.5
175.11200	1.3
177.12762	4.7
184.07344	0.8
185.13348	1.1
189.11220	2.1
193.12228	1.2
195.12086	0.6
195.13826	7.3
205.12250	1.0
211.13335	1.1
213.14818	1.1
223.13303	12.3
227.12755	3.8
227.18004	0.7
245.19119	0.7
249.14958	2.3
253.14438	1.1
255.17647	0.5
259.20523	0.8
262.15701	0.7
267.15924	1.2
269.17505	65.0
270.17923	1.8
273.18546	10.3
275.19943	1.0
283.15448	1.8
291.19571	72.0
292.19891	2.0
304.55798	0.5
347.22275	1.9
351.24942	0.6
365.23260	30.4
367.29150	0.5
408.34976	0.6
439.26804	2.1
449.29755	0.5
461.29132	2.0
479.30145	2.2
529.50140	0.6
541.35278	4.1
555.23138	0.6
559.36346	100.0
560.36542	5.2
577.37225	0.9
756.40875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
53.20694	0.6
55.01882	11.9
55.05254	1.1
55.05516	14.9
57.03446	10.6
59.05023	0.7
59.11537	0.6
61.02921	1.0
64.10255	0.6
65.03947	2.2
67.05510	32.3
69.03430	3.2
69.07072	25.2
71.05009	3.5
73.02957	0.9
77.03945	1.3
79.05037	1.5
79.05501	30.1
81.03425	35.5
81.07062	45.3
83.04990	10.0
83.08627	14.7
83.09097	1.4
85.02911	15.7
85.06540	2.4
91.05487	50.3
93.07052	26.1
95.01314	5.2
95.04976	18.6
95.08611	21.5
96.09044	0.7
97.02892	2.3
97.06540	20.6
97.10161	3.8
98.23414	1.9
99.08081	0.9
103.05467	1.0
105.04518	1.6
105.07040	61.4
106.07397	1.2
107.04962	12.7
107.08608	13.3
109.06541	4.5
109.10161	6.2
111.04460	1.7
111.08096	5.2
113.06026	2.8
115.05489	2.2
117.07034	9.0
119.08591	34.9
121.06522	3.8
121.10143	10.3
123.04490	1.9
123.08085	4.8
123.11703	2.2
125.09635	2.4
129.07016	7.3
131.08585	18.6
133.06512	1.5
133.10141	33.7
135.08096	2.3
135.11665	4.4
137.09659	2.6
139.07520	0.9
141.06931	0.7
142.07816	1.6
143.08594	2.3
145.06479	2.0
145.10133	11.0
147.08093	2.4
147.11685	17.2
149.09633	9.1
149.13268	2.3
151.07562	0.8
151.11215	1.7
155.08611	1.9
157.10136	10.1
159.11708	6.8
161.09756	0.8
161.13275	4.0
163.11203	3.6
165.09167	2.0
165.12741	1.5
169.10172	1.3
171.11731	2.3
173.13271	2.5
175.11214	7.0
177.12839	2.8
179.14325	9.3
180.19853	0.6
183.11784	1.3
185.13393	0.8
187.11169	1.8
189.12845	0.7
193.12253	18.7
193.13956	1.0
195.13808	1.1
197.13268	1.0
205.12170	0.7
209.15378	0.8
211.13307	20.5
212.13766	0.8
219.14009	0.7
229.19621	1.1
239.18022	1.3
247.20714	1.8
249.15097	1.0
257.19000	4.4
259.20633	0.7
267.15936	29.6
268.16089	0.7
271.87512	0.7
275.20081	57.4
276.20456	1.5
279.15952	2.4
285.16980	64.7
286.17441	0.7
293.21133	3.7
349.23761	34.2
350.24060	1.5
417.65277	0.8
541.35297	57.0
542.35638	3.4
559.36346	100.0
560.36395	5.2
577.37451	1.3
634.16205	0.8
703.40106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01876	11.1
55.05514	13.6
57.03435	6.9
57.07079	0.8
65.03940	2.6
67.05506	27.4
69.03445	2.7
69.07069	22.4
69.65744	2.0
71.04998	2.2
73.06557	0.5
77.03928	1.4
79.05496	28.4
81.03419	26.0
81.07058	42.5
83.04988	10.0
83.08128	0.6
83.08621	12.2
85.02911	10.9
85.06554	1.5
91.05482	44.8
93.07044	27.0
95.01338	7.0
95.04969	15.9
95.08606	24.6
97.02888	1.5
97.06529	21.8
97.10169	3.1
99.08094	1.4
103.05488	1.8
103.07790	0.5
105.04527	1.6
105.07030	63.0
106.07368	0.9
107.04957	15.9
107.08595	12.3
109.06525	5.0
109.10159	5.6
111.04449	1.6
111.08081	4.6
113.06007	1.3
113.09670	1.0
114.90681	0.5
115.05488	1.3
117.07024	11.1
117.07806	1.0
119.04939	0.7
119.08583	34.2
121.05795	0.5
121.06547	2.4
121.10150	8.7
123.04420	1.5
123.08101	3.4
123.11739	1.9
125.06076	0.6
125.09608	1.4
129.07008	5.1
130.07878	0.6
131.08566	18.9
133.06494	2.2
133.10129	33.4
135.08047	3.2
135.11693	5.7
137.09633	2.2
139.07527	1.2
141.07004	1.5
142.07838	2.0
143.08578	2.6
145.06491	1.8
145.10123	12.7
146.10561	0.5
147.08128	1.7
147.11691	16.3
149.09619	9.0
149.13287	3.2
151.07532	0.5
151.11208	2.2
155.08611	1.4
157.10143	7.4
159.08182	0.5
159.11711	7.2
161.09663	1.2
161.13292	2.6
163.11183	2.9
165.09167	1.7
165.12805	1.7
169.10150	1.8
171.11749	2.2
173.13255	1.9
175.11194	6.3
177.12741	2.7
179.14310	10.0
183.11691	1.3
185.13318	1.3
186.49429	0.6
187.11243	2.1
188.89598	0.6
193.12250	12.5
193.13954	0.9
195.13792	0.7
197.13316	1.2
201.12732	0.5
205.12297	1.1
211.13289	12.8
215.18243	0.5
219.17569	1.5
229.19505	1.1
239.17973	1.7
247.16991	0.6
247.20700	1.9
257.19031	3.9
267.15915	13.8
268.16379	0.6
275.20056	61.4
276.20526	2.0
279.16016	2.1
285.16971	23.9
293.21194	3.4
349.23724	33.9
350.23633	1.0
363.21292	0.5
466.27365	0.7
541.35248	51.5
542.35638	2.8
559.36310	100.0
560.36743	6.1
577.36951	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	756.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01879	5.8
55.05517	20.5
57.03441	7.6
57.07069	2.5
60.05649	0.8
61.02936	1.3
65.03947	1.9
67.05511	51.0
68.05843	0.8
69.03442	5.2
69.06708	1.7
69.07074	26.7
69.75027	1.7
71.04995	3.0
73.02921	1.6
77.03967	1.3
79.05502	39.6
79.07890	0.7
81.03429	6.6
81.07063	55.9
83.04980	6.6
83.08626	13.2
85.02915	2.1
85.06550	3.8
91.05487	30.7
93.07053	41.6
95.01318	0.7
95.04977	8.4
95.08617	18.7
97.02896	5.7
97.06541	9.3
97.10178	7.3
98.22785	0.9
99.04443	0.8
99.08138	1.6
101.06032	0.7
102.32613	0.7
104.84827	0.7
105.04538	1.9
105.07042	20.8
107.04971	5.8
107.08601	30.5
109.02874	1.0
109.06540	4.0
109.10164	19.1
111.08067	4.7
113.06033	0.9
115.05472	1.0
117.07036	9.0
119.04926	0.9
119.08591	9.3
121.06518	5.8
121.10161	11.4
121.68966	0.7
123.04451	1.0
123.08096	2.7
123.11709	3.5
125.09627	5.1
127.07606	0.9
129.07005	3.8
131.08577	12.1
131.09465	1.1
133.06494	3.2
133.10143	25.0
135.08099	5.3
135.11687	6.5
137.09650	2.6
142.07768	0.8
143.08569	2.4
145.06419	0.9
145.10143	5.6
147.08055	4.4
147.11700	3.7
149.09660	4.6
149.13261	12.1
151.11198	10.3
153.09106	0.9
155.08664	1.0
157.10159	2.4
159.08075	1.6
159.11737	7.6
161.09631	4.6
161.13297	1.1
163.11156	1.8
169.10115	1.2
169.12309	1.8
171.11729	2.3
173.09718	0.9
173.13208	1.1
175.11195	2.4
177.12744	3.5
184.07387	1.7
189.11237	1.5
189.12762	1.3
193.12268	1.1
195.13803	7.7
205.12332	1.6
211.13313	0.9
213.14720	1.0
215.12820	1.6
223.13312	8.4
226.48051	0.7
227.12762	3.9
232.53690	0.7
245.19072	3.0
249.14879	1.8
251.12825	2.1
253.14381	25.8
255.17505	1.3
263.20120	1.6
267.16019	2.0
269.17496	53.5
270.17822	1.5
273.18503	19.2
275.20163	1.2
291.19559	54.3
292.19971	1.5
309.20996	0.9
329.21069	1.0
347.22238	7.5
351.25388	1.0
365.23273	33.5
366.23654	1.7
439.27020	1.2
447.27441	1.5
461.29025	2.1
463.27151	1.2
465.28412	9.4
479.30319	2.4
541.35297	10.0
556.93127	0.9
559.36328	100.0
560.36859	7.3
577.37500	1.5
703.40240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2191
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03950	0.3
55.01882	0.2
55.05512	0.5
57.03440	2.0
57.17273	0.1
59.05010	0.1
60.14272	0.1
61.02919	0.5
67.05499	0.2
68.99825	0.3
69.03437	1.6
69.90279	0.3
71.01355	0.3
71.04999	10.6
72.05339	0.2
73.02931	0.9
75.04495	0.5
81.03419	0.8
83.04990	2.6
85.02912	15.7
86.03257	0.2
87.04482	0.3
91.03960	0.1
93.03401	0.3
95.04993	0.6
97.02913	1.1
97.06526	0.2
98.22733	0.1
98.23277	0.2
99.04472	0.5
107.04971	0.1
109.02893	0.5
111.00793	0.6
111.04456	2.1
113.06029	0.3
117.05516	0.4
121.02862	0.6
123.04452	0.2
127.03928	1.2
129.05492	4.7
129.06447	0.2
135.04495	0.2
137.02357	2.1
139.03900	0.1
145.04979	0.7
147.06540	1.6
149.02420	0.2
153.01845	2.3
153.05452	0.6
157.04935	0.2
159.06543	0.2
161.06047	0.2
163.03923	0.4
163.06041	0.6
165.01857	1.5
166.02650	0.2
171.06567	0.3
183.02928	0.5
183.04369	0.1
183.06508	0.2
195.02910	0.3
201.05486	0.9
201.07431	0.2
213.05531	0.2
213.07489	0.1
219.02922	0.2
219.06509	0.2
229.04996	3.2
239.03473	0.1
239.09125	0.8
247.05963	0.5
257.04428	2.1
257.10187	0.4
274.04800	0.5
275.05594	0.2
275.11298	0.5
285.03970	1.0
293.12140	0.2
302.04257	0.2
303.04999	100.0
304.05344	3.6
315.04990	0.3
345.05960	0.6
369.05908	0.2
395.07819	0.1
413.08704	0.1
449.10645	0.7
465.10376	2.6
605.67249	0.1
611.15924	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	757.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
54.77238	0.2
55.01878	0.5
55.05511	1.7
57.03446	1.6
57.07082	0.2
61.02926	3.4
67.05507	5.0
69.03434	2.4
69.07071	2.8
71.01355	0.2
71.04986	0.7
73.02922	2.6
79.05491	5.6
81.03420	1.9
81.07058	5.3
83.05000	1.1
83.08607	1.0
85.02909	3.5
85.06539	0.2
87.04482	0.3
91.03960	1.9
91.05476	5.2
93.07043	4.4
95.01350	0.7
95.04962	2.0
95.08602	3.3
95.09137	0.3
97.02897	2.4
97.06532	0.9
97.10191	0.3
97.84694	0.2
99.04440	0.5
101.02396	1.2
105.04538	0.4
105.07038	4.2
107.04961	1.4
107.08601	2.3
109.02923	0.7
109.06543	0.5
109.10178	1.1
111.08070	0.3
115.03921	0.2
117.07043	1.3
119.08588	2.9
120.08961	0.2
121.06556	0.2
121.10162	1.0
123.08113	0.6
123.11768	0.2
127.03964	0.8
128.06255	0.2
129.07022	1.0
131.08589	1.0
131.59247	0.2
133.10129	2.2
135.11714	0.7
135.60498	0.2
143.08617	0.7
145.10143	1.4
147.08037	0.2
147.11691	1.6
149.09639	0.9
149.13304	0.3
157.10069	0.2
159.11778	0.6
161.09729	0.3
161.13321	0.8
163.11238	0.5
164.15321	0.2
171.11641	1.0
173.13254	0.2
177.12782	0.4
179.14348	0.7
185.04286	0.3
189.12802	0.3
203.05295	0.5
207.13899	0.3
209.11778	0.2
243.08403	2.3
247.12926	0.9
253.14398	0.3
269.17508	0.3
275.20175	0.6
285.18372	0.3
293.05566	0.2
303.15744	0.3
314.53296	0.2
315.19302	2.9
315.22647	0.3
315.64212	0.2
333.24445	0.2
335.25974	0.6
336.26288	0.2
371.21973	1.2
454.76712	0.2
463.30713	0.3
465.20996	8.5
466.21802	0.3
469.33121	0.2
518.95215	0.2
533.27228	6.6
534.28027	0.3
543.37085	0.5
560.37109	0.5
561.38116	0.3
653.99060	0.2
757.41290	100.0
758.41644	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01876	12.4
55.05514	34.8
57.03443	23.2
57.07087	5.9
61.02933	7.3
65.03948	5.9
67.05508	86.4
68.05827	1.6
69.03442	6.9
69.03780	1.4
69.07070	25.5
71.04993	7.1
71.08643	2.0
73.02941	6.1
77.03931	1.5
79.05496	60.0
80.05824	1.4
80.06277	2.7
81.03427	14.9
81.07057	72.3
82.04204	4.3
82.07417	1.6
83.04992	13.5
83.08617	16.2
85.02928	10.7
85.06547	3.9
86.09703	2.8
91.03949	2.1
91.05482	43.7
93.07046	64.2
95.04971	20.8
95.08611	48.3
96.08902	1.6
97.02900	6.1
97.06520	7.9
97.10180	12.3
98.07317	6.7
99.04418	1.4
99.08115	1.4
103.05509	1.7
105.04535	4.6
105.07028	29.2
107.04974	5.4
107.08598	35.2
107.09330	2.1
109.06522	5.3
109.10162	23.6
111.04439	3.0
111.08071	7.0
116.04704	11.6
117.07034	12.7
119.08595	22.3
121.06544	3.1
121.10142	25.9
123.08038	6.4
123.11698	6.4
125.09631	13.3
127.11192	2.7
129.05486	28.1
129.06943	6.8
131.08566	20.6
133.10130	21.3
135.08034	3.2
135.11708	17.1
137.09729	2.5
137.13321	1.9
139.11279	1.7
143.07031	5.3
143.08556	2.3
145.10136	11.5
147.08072	1.8
147.11684	11.7
149.09596	3.4
149.13268	7.6
151.11224	1.5
151.52232	1.4
153.09175	1.9
157.08623	15.6
157.10141	3.9
159.11673	6.9
161.13235	5.9
163.11179	4.9
163.14850	2.4
171.10173	4.6
171.11713	2.8
173.11877	1.9
173.13191	7.0
175.11198	5.0
175.14854	2.9
181.12213	2.3
183.11705	1.9
184.07364	7.0
185.11771	1.7
187.14803	2.4
189.11218	5.6
193.12209	8.2
199.13252	1.9
200.14017	2.1
209.11685	2.5
211.13329	4.8
213.14647	1.5
227.12807	10.6
229.14426	3.1
241.19395	1.2
243.21100	3.4
255.15924	2.3
259.20526	2.6
261.22134	13.3
267.15918	5.3
267.51913	1.7
269.17545	1.6
277.21649	4.6
283.15457	9.2
283.69891	1.2
285.16965	1.9
301.16464	71.8
315.23090	2.2
317.24774	3.0
320.69571	1.2
335.25815	97.9
336.26294	5.9
405.67667	1.3
415.86484	1.6
489.35947	1.7
527.37225	5.1
543.36548	7.0
544.37183	1.8
545.38007	2.9
561.37836	100.0
562.38171	4.5
579.39349	1.8
594.47382	1.4
759.39197	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01873	4.8
55.05509	33.7
55.05781	1.7
57.03438	20.3
57.07074	4.9
58.83618	1.1
59.04981	1.0
61.02926	3.7
65.03945	4.9
67.05501	74.0
69.03419	5.0
69.07065	23.9
69.19025	3.0
69.19430	3.1
69.33826	0.9
71.01366	1.2
71.04984	8.0
73.02908	2.5
77.03958	1.6
79.05490	82.3
81.03413	60.2
81.07051	75.8
83.04980	16.0
83.08614	28.6
83.09092	1.7
85.02904	25.9
85.06556	4.0
86.09712	1.6
91.05475	95.1
93.07040	77.7
95.04967	31.5
95.08598	41.1
96.08934	1.0
97.02890	4.9
97.06543	7.4
97.10165	10.1
99.08086	3.9
103.05460	2.1
105.04523	3.8
105.07024	100.0
106.07359	1.8
107.04953	10.5
107.08588	43.4
109.06526	7.1
109.10148	18.9
111.04450	1.8
111.08074	10.5
113.06034	2.6
113.09594	1.8
115.05445	3.3
117.07010	25.6
117.07798	1.7
119.08575	76.5
120.08948	1.8
121.06523	3.8
121.10141	29.9
123.08051	5.6
123.11714	3.7
125.00006	2.3
125.09644	2.5
128.06224	3.5
129.07004	20.0
131.08556	45.1
132.08850	1.3
133.06517	2.1
133.10121	59.0
134.10506	1.3
135.08089	5.2
135.11681	19.2
137.09608	3.0
140.99837	1.0
141.06985	2.2
141.70634	1.2
142.07784	3.6
143.08549	12.3
145.10110	31.1
147.08058	4.3
147.11676	61.4
148.11996	1.4
149.09613	9.5
149.13240	14.0
151.11174	2.3
153.12727	1.5
155.08597	3.9
157.10118	24.9
159.11679	24.9
161.09726	1.6
161.13245	30.4
163.11145	5.1
163.14832	3.3
165.12776	3.2
167.08542	1.1
169.10138	4.2
171.11656	14.8
173.13234	12.5
175.11200	15.4
175.14824	12.6
177.12743	2.0
181.10172	2.0
182.11043	1.1
183.11613	5.2
184.07390	7.2
185.13237	12.3
187.13353	1.3
187.14839	4.3
189.11243	1.8
189.12735	1.8
193.12228	37.6
195.11746	2.6
195.13760	1.9
197.13242	3.2
199.14815	8.0
201.16428	1.4
209.13264	1.9
211.13258	47.6
213.16409	3.2
215.14375	1.0
215.18086	1.4
217.15901	1.4
223.14870	1.5
227.12775	5.4
229.14372	3.0
231.17517	1.5
231.21004	9.3
231.58557	1.3
233.15369	1.1
239.17990	2.1
241.19502	29.2
243.21136	1.9
249.25908	1.0
257.18936	3.6
259.20557	87.8
260.20993	3.7
261.22202	1.6
267.15866	21.2
268.16321	1.4
269.17316	7.7
275.20062	5.0
277.21655	2.9
283.15518	4.5
283.20404	1.4
285.16934	55.9
286.17322	2.8
297.22195	2.0
299.23605	3.7
301.21667	2.2
313.21533	1.1
315.23190	11.5
333.24210	74.6
334.24612	3.7
335.26202	1.9
349.23730	4.0
353.24814	1.1
423.32404	1.9
433.30856	8.3
449.28339	1.3
451.32162	8.0
463.30612	2.8
469.33728	5.1
469.38913	1.3
507.34979	3.5
515.37299	5.8
525.35797	32.5
526.35938	2.5
543.36786	96.3
544.37225	7.2
561.38074	6.6
651.38770	1.5
669.39502	1.7
687.40991	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01860	6.6
55.05515	32.5
57.03444	20.2
57.07071	3.6
59.05013	2.2
61.02908	4.2
65.03929	6.3
67.05505	64.9
69.03419	3.4
69.07070	22.7
71.04977	6.9
77.03920	2.6
79.05042	3.6
79.05496	74.5
81.03419	67.1
81.07059	75.5
83.04981	20.0
83.08623	33.0
85.02908	28.0
85.06529	5.5
91.03918	2.4
91.05479	90.2
93.07045	62.7
95.04967	37.2
95.08608	38.2
97.02889	5.8
97.06536	11.5
97.10177	11.9
98.23444	4.2
99.08062	4.9
103.05453	2.5
105.04570	3.9
105.07030	79.3
107.04975	11.6
107.08592	43.9
109.06504	5.9
109.10164	16.2
111.04449	3.4
111.08111	10.3
113.06022	2.8
115.05393	2.5
117.07026	20.9
119.08580	59.4
119.09422	3.3
121.06471	3.4
121.10144	29.6
123.08086	4.4
123.11674	5.5
125.09634	6.4
128.06218	5.1
129.07013	23.0
131.08582	40.8
133.06462	3.6
133.10127	49.3
135.08051	3.9
135.11703	19.5
137.09615	5.9
141.06963	3.0
142.07748	4.2
143.08545	11.5
145.10121	24.1
147.07996	5.6
147.11691	44.0
149.09639	10.6
149.13229	11.5
151.11150	2.9
155.08488	2.9
157.10149	24.3
159.11676	20.0
161.13251	23.3
163.11208	4.9
163.14841	2.5
165.12743	4.4
169.10104	4.2
171.11690	15.4
173.13240	9.9
175.11211	16.8
175.14799	7.9
183.11658	3.1
184.07359	4.3
185.13258	10.0
187.14793	3.5
189.11211	3.2
193.12256	43.4
197.13315	3.3
199.14893	5.8
201.16336	2.5
209.13275	3.1
211.13290	58.7
212.13585	3.6
213.16353	4.3
227.12735	8.5
231.20911	3.8
241.19536	23.7
257.18988	3.7
259.20587	68.2
267.15958	22.9
269.17422	14.8
275.20071	7.2
277.21780	2.4
283.15320	3.4
285.16977	68.6
297.22110	2.2
315.23386	8.6
333.24234	54.6
349.23703	6.0
351.25363	2.3
415.29581	2.2
422.89014	2.0
433.30951	9.3
439.26807	4.1
451.31921	10.1
463.30673	2.6
469.32889	4.6
507.34274	2.8
515.37402	4.2
523.18005	2.1
525.35779	32.4
543.36810	100.0
544.37079	6.7
552.05969	1.9
561.37531	6.3
700.22552	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01870	6.7
55.05260	1.4
55.05511	22.7
57.03439	13.2
57.07076	2.8
60.11522	0.9
60.71587	0.9
61.02920	3.6
65.03929	3.1
67.05503	74.8
69.03428	4.5
69.06710	2.1
69.07065	33.4
69.52700	0.9
69.89297	2.2
71.01326	0.9
71.04987	7.1
71.08624	1.7
73.02912	2.1
77.03912	2.0
79.05490	55.1
81.03419	11.0
81.07054	100.0
83.04989	11.1
83.08614	19.8
85.02904	8.0
85.06544	6.2
86.09717	1.1
89.50152	0.8
91.03933	1.2
91.05475	42.5
93.07042	70.2
95.04970	12.4
95.08025	1.9
95.08604	33.2
97.02879	3.8
97.06535	17.0
97.10177	7.0
99.04487	1.3
99.08089	4.1
105.04514	2.7
105.07022	30.7
107.04971	6.3
107.08590	42.6
109.02837	1.3
109.06499	5.1
109.10158	9.9
111.04446	1.5
111.08099	8.6
113.09654	1.5
115.05419	1.0
116.85278	0.9
117.07013	16.3
119.08575	19.2
121.06516	4.8
121.10142	21.8
123.08068	2.7
123.11692	5.5
125.00033	1.2
125.09608	4.5
127.03889	3.9
129.05516	1.5
129.07008	3.8
131.08571	20.4
133.06497	1.2
133.10117	24.6
133.11136	1.4
135.08031	4.3
135.11688	15.5
137.09599	1.8
139.11209	1.1
143.08545	3.1
145.10118	10.6
146.00568	0.9
147.08057	1.2
147.11655	8.7
149.09610	9.4
149.12093	2.0
149.13251	24.3
151.11192	3.6
157.10114	3.2
159.10393	1.1
159.11694	18.2
161.13293	2.7
163.11212	8.6
168.04803	0.9
169.10121	2.3
171.10074	1.4
171.11598	2.4
173.04427	1.7
173.13284	4.1
175.10963	1.1
177.12753	6.5
179.14282	2.6
183.11703	2.9
184.07321	5.3
185.13297	1.0
189.11259	2.0
193.12224	2.0
195.13782	17.6
197.13277	1.8
211.13290	2.6
213.14795	1.3
227.12747	10.3
229.19482	1.8
234.98729	1.0
239.17998	2.2
247.20590	1.1
251.16460	2.0
253.14314	2.7
255.15932	4.9
257.18970	5.0
259.20529	2.1
267.15897	2.7
269.17465	80.4
270.17889	2.6
275.20068	19.0
277.21417	1.4
285.16891	3.4
293.21097	2.5
331.22610	1.2
333.24228	1.7
339.17599	1.2
349.23715	21.4
350.23956	2.0
351.25275	2.1
367.24759	3.1
396.46054	1.1
413.21503	1.8
423.27216	1.7
439.26691	3.1
445.29343	2.8
447.30972	1.2
449.29047	25.2
450.29495	1.3
463.30536	99.3
464.30768	6.0
503.33572	1.7
515.37274	1.1
525.35541	1.4
543.36829	41.4
544.36743	2.9
561.37823	11.6
595.96747	1.1
607.34137	4.7
754.91083	1.2
759.39154	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
53.96323	1.1
54.18103	0.9
55.01875	8.9
55.05513	24.8
57.03437	15.7
57.07078	2.3
61.02921	2.7
65.03932	2.9
67.05508	80.9
69.03428	6.5
69.07071	34.5
69.89754	2.8
71.05002	5.5
73.02917	2.5
77.03913	2.1
79.05496	63.8
81.03425	10.0
81.07059	100.0
82.07393	2.2
83.04983	13.2
83.08626	21.9
83.46547	1.2
85.02915	5.6
85.06525	6.1
91.03960	1.5
91.05485	41.3
93.07050	72.7
95.04971	11.7
95.08607	34.3
95.09217	2.4
97.02880	3.5
97.06532	20.3
97.10171	6.9
99.04425	1.3
99.08108	4.0
103.05452	1.7
103.07418	1.2
105.04509	3.3
105.07037	32.3
107.04963	6.3
107.08599	48.7
108.09018	1.2
109.02871	1.6
109.06507	7.1
109.10149	9.6
111.04439	1.3
111.08097	8.3
113.09648	2.8
115.05466	1.8
117.07025	17.8
119.08589	18.1
121.06503	4.9
121.10152	20.7
123.08075	2.1
123.11702	4.6
125.09621	5.9
127.03918	3.0
129.07054	5.0
131.08578	22.2
133.10146	19.2
135.08064	4.6
135.11699	16.1
137.09648	2.0
139.11157	1.4
142.07819	1.4
143.08604	3.7
145.10106	12.5
147.08054	1.1
147.11685	9.9
149.09637	13.5
149.13264	31.8
151.11185	2.7
157.10130	2.8
159.11694	20.6
161.09665	1.1
161.13258	3.9
163.11174	8.5
165.12816	1.3
167.14337	1.6
169.10167	1.3
171.11717	3.2
173.04443	2.9
173.09708	1.2
173.13237	4.1
175.11287	1.5
175.14816	1.4
177.12814	6.9
179.14323	1.3
181.12228	1.5
183.11745	2.1
184.07353	3.7
185.13188	1.7
187.14784	1.2
188.96091	1.0
189.11238	3.4
189.12770	1.2
193.12277	2.5
195.02400	1.0
195.13809	15.5
197.13324	1.7
211.13225	2.0
213.14853	2.3
224.87355	1.1
227.12804	13.8
239.17888	3.5
253.17941	1.2
255.15840	5.3
257.19028	8.1
259.20636	1.3
267.15891	2.8
269.17493	88.0
270.17780	3.1
275.20071	29.4
276.20166	1.6
285.17010	2.8
293.21103	1.6
331.22885	2.5
333.24341	2.6
349.23776	26.6
365.23251	2.0
367.24796	2.3
413.21780	1.1
423.27350	3.2
439.26767	5.3
445.29227	1.3
447.30963	2.8
449.28995	26.2
450.29196	1.9
463.30560	90.8
464.30988	6.7
470.46332	1.0
485.32657	1.6
503.33612	1.7
507.08142	1.0
515.37152	1.9
523.64728	1.2
525.35565	4.3
543.36853	53.4
544.37109	4.9
561.37909	11.6
607.34045	2.0
687.39978	1.3
705.41724	1.0
742.86768	1.3
759.38470	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	758.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01860	1.3
55.05510	18.5
57.03436	5.7
57.07067	2.6
59.05000	0.8
61.02923	4.0
65.03935	3.2
65.31316	0.5
67.05502	76.0
67.65007	0.5
68.05856	0.6
69.03433	2.5
69.07068	12.1
69.67839	1.8
71.04992	22.3
73.02901	0.8
73.46819	0.5
77.03925	1.1
79.05492	38.5
81.03414	1.7
81.07054	100.0
82.07361	0.9
82.47027	0.5
83.04982	4.3
83.08622	7.5
85.02909	2.4
85.06543	7.8
88.58366	0.5
91.03978	1.1
91.05476	30.9
93.07041	43.2
95.04951	4.2
95.08601	28.7
95.09222	1.2
97.02905	1.7
97.06514	5.2
97.10155	3.0
98.23383	1.1
99.08132	0.6
105.04518	2.4
105.07025	19.1
107.08591	22.6
109.06544	2.6
109.10162	13.3
111.08101	1.9
113.09696	0.6
115.75533	0.5
117.07016	5.2
119.06110	0.5
119.08573	8.7
121.10146	14.5
121.10987	1.0
123.08067	1.2
123.11706	11.6
125.09682	0.7
129.07054	1.0
131.08566	8.7
133.10132	16.3
135.11696	7.4
145.10126	5.3
147.11711	2.5
149.13266	6.0
151.11171	4.7
157.10150	1.2
159.11717	5.7
161.13307	2.2
169.12282	1.1
173.13275	2.2
177.12814	1.7
183.13800	2.3
184.07372	0.9
185.13435	0.6
187.13301	3.3
187.14732	1.0
195.13786	1.3
201.14847	0.9
213.14903	0.6
227.16493	1.3
243.15910	0.9
243.21147	0.7
257.17636	1.3
259.20804	0.8
261.22192	2.3
269.17441	5.1
298.94736	0.7
301.20102	19.2
317.24643	1.2
335.25775	22.8
363.25485	0.6
411.32544	1.3
429.33322	0.6
437.34253	1.3
485.36337	2.5
503.37283	80.3
504.37750	4.1
511.37875	0.8
517.39038	2.7
529.38843	14.7
529.46484	1.1
530.38843	1.0
547.39972	0.8
561.41492	75.5
562.41833	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	759.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01850	0.2
57.03439	1.8
61.02890	0.7
64.29075	0.1
68.99770	0.3
69.03432	2.6
71.01317	0.3
71.05005	0.2
73.02921	3.3
81.03369	0.6
85.02909	4.6
87.04435	0.2
91.03932	0.3
93.03400	0.2
95.04932	0.2
97.02901	2.7
99.04435	0.2
109.02865	0.6
111.00811	0.8
115.03946	1.4
121.02880	0.8
123.04408	0.2
127.03914	1.4
133.04970	0.2
135.04390	0.2
137.02357	2.5
145.04941	0.7
145.06017	0.1
145.06367	0.1
149.02272	0.5
153.00647	0.2
153.01828	2.9
154.90074	0.2
163.03908	0.6
165.01837	1.5
166.02477	0.3
171.01221	0.1
173.05991	0.2
183.02855	0.6
183.04277	0.2
195.02895	0.3
201.05507	1.1
219.06496	0.2
226.30197	0.1
229.04973	2.7
247.05951	0.8
257.04456	2.1
274.04770	0.6
275.05420	0.2
285.04056	1.1
303.04987	100.0
304.05362	3.1
327.04947	0.1
345.05908	0.3
399.06729	0.1
447.09445	0.2
465.10327	18.0
466.10703	1.0
646.68170	0.1
719.92548	0.1
775.37390	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62793	0.8
55.01885	4.1
55.05524	1.3
57.03434	1.9
61.02942	3.1
67.05518	6.4
69.03438	1.8
69.07081	3.4
69.11367	0.6
69.76271	2.0
73.02915	1.6
76.51952	0.7
79.05499	5.3
81.03442	2.8
81.07076	4.6
83.05012	1.2
83.08636	1.3
85.02921	2.8
86.09729	3.0
91.03963	1.6
91.05475	4.1
93.07051	4.0
95.04996	2.7
95.08636	2.9
97.02910	3.7
97.06552	6.1
97.10193	0.7
98.22834	1.3
98.23396	0.9
101.02406	1.6
105.07050	3.1
107.04985	2.1
107.08615	2.1
109.06547	1.0
109.10172	2.0
111.29194	0.7
117.07038	2.3
119.08640	2.5
121.10188	1.2
123.08106	0.9
125.00024	1.3
125.09582	0.6
127.03975	1.2
131.08578	2.0
133.10130	3.3
135.08073	1.7
135.11737	1.0
145.10150	2.3
147.11771	1.4
149.09695	2.1
157.10173	0.9
159.11702	1.1
163.11235	1.5
181.59447	0.7
184.07361	8.7
221.11899	0.7
227.12775	0.7
243.08525	2.9
253.14441	1.5
267.16077	1.4
275.20139	1.7
279.63858	0.7
315.19406	1.7
321.20758	0.8
335.92621	0.8
371.22012	1.3
439.19641	1.2
465.29291	0.9
467.18961	5.8
513.32312	3.2
533.27368	9.6
544.37366	1.5
597.34198	1.1
638.80402	0.9
759.39319	100.0
760.39661	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	759.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.0
57.03435	2.9
61.02929	4.3
67.05510	12.0
69.03449	2.1
69.07086	2.2
71.05019	2.2
72.22665	0.9
73.02926	3.3
79.05488	11.2
81.03432	2.8
81.07059	16.2
81.07501	1.2
82.07430	1.0
83.04992	2.2
83.08621	2.1
85.02898	4.8
85.06530	1.1
86.09723	2.1
91.03965	2.7
91.05473	7.7
93.07047	10.8
95.05004	3.8
95.08589	6.4
96.08952	1.1
97.02901	4.0
97.06555	1.8
97.10144	1.1
98.23456	2.6
101.02425	1.3
105.07022	5.3
107.04979	1.3
107.08593	4.9
109.06515	1.0
109.10178	2.4
117.07090	1.3
119.08606	3.9
121.06534	1.3
121.10181	3.5
127.03989	1.3
131.08592	1.1
133.10153	2.5
135.11693	2.7
143.08656	1.2
145.10146	2.0
147.11740	2.4
159.11736	1.2
163.11087	0.9
166.51700	1.0
171.11787	0.9
172.15674	0.9
184.07404	2.5
194.19234	0.9
243.08484	3.0
247.13080	1.6
259.20657	1.6
285.17004	1.3
301.16721	1.5
301.20084	1.2
333.15131	1.4
335.25928	4.1
335.55600	1.1
336.26312	2.6
465.20917	8.0
503.37561	2.1
504.37643	3.6
535.28760	4.6
537.23633	1.6
562.42273	5.2
701.40155	3.0
759.42871	100.0
760.43207	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01875	0.9
55.05519	3.0
57.03442	2.4
61.02929	5.2
61.72146	0.4
62.96779	0.3
65.03920	0.4
67.05506	8.5
68.05842	0.6
69.03436	3.1
69.07077	3.0
71.01350	0.5
71.05000	0.5
73.02915	3.7
77.03944	0.7
79.05496	8.5
81.03416	3.0
81.07060	9.1
82.07388	1.0
83.04990	1.2
83.08627	1.6
85.02905	5.2
87.04489	0.4
90.31220	0.3
91.03960	3.1
91.04887	0.3
91.05476	8.2
92.05810	0.6
93.07050	10.4
93.07600	0.6
94.07408	1.1
95.04971	2.7
95.08612	5.0
96.08959	0.3
97.02894	4.1
97.06547	1.4
97.10173	0.6
99.04471	1.0
99.08083	0.5
101.02385	1.7
105.04528	0.7
105.07032	5.3
106.07401	0.5
107.04936	0.7
107.08600	4.3
108.08974	0.4
109.02872	0.9
109.06531	1.1
109.10189	1.8
111.08086	0.9
117.07028	1.6
119.08589	4.5
120.08970	0.5
121.06526	0.5
121.10170	2.4
123.08094	0.6
123.11802	0.5
127.03944	1.8
128.06250	0.4
129.05522	0.4
129.07060	0.9
131.08542	2.6
133.10118	3.0
134.10461	0.5
135.11739	1.6
143.08603	0.8
145.04953	0.6
145.10136	1.8
147.11670	3.2
149.13249	1.7
150.13617	0.4
157.10229	0.5
159.11757	1.3
161.09612	0.4
161.13326	1.3
163.11263	0.5
171.11740	1.6
173.13257	0.6
184.07399	0.6
185.04250	1.1
185.13332	0.7
189.12787	0.7
195.13896	0.6
243.08397	3.9
247.13074	2.0
259.20724	1.5
267.16019	0.5
269.17563	2.3
270.17914	1.1
301.08987	1.7
303.15582	0.9
313.08981	0.6
315.10434	0.8
317.20956	0.6
333.24359	0.6
335.25848	1.2
373.11182	0.7
375.98779	0.4
464.30948	1.0
465.20959	10.9
466.21414	0.5
495.22089	1.0
527.37476	0.8
528.37964	1.0
535.28790	5.9
537.23309	1.5
545.38513	0.8
546.39056	0.5
562.39020	0.6
565.26807	0.7
579.28174	0.5
621.32532	1.2
759.42865	100.0
760.43164	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	760.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
55.05524	3.8
57.03449	2.7
61.02936	4.4
67.05521	9.6
68.05054	2.2
69.03444	3.0
69.07076	2.6
70.06599	95.1
71.05002	1.9
71.44428	0.9
73.02921	2.3
79.05505	7.8
81.03438	5.1
81.07072	8.4
83.05012	4.0
83.08630	3.2
85.02927	9.7
85.06573	1.2
91.03989	1.2
91.05474	6.5
93.07062	6.0
95.05004	5.4
95.08626	4.2
96.08128	2.2
97.02930	3.5
97.06559	1.3
99.04495	1.3
100.07610	1.0
101.02365	1.1
102.07538	1.0
105.07062	4.3
107.05000	1.1
107.08638	3.8
109.06567	1.6
109.10194	3.9
111.04473	3.6
111.08097	2.7
119.08616	4.4
121.10197	4.3
122.12759	0.8
124.07601	1.4
129.07080	1.7
131.08586	2.6
133.10150	2.5
135.11653	2.3
140.07112	1.9
142.08661	6.2
145.10167	3.7
147.08183	1.2
147.11728	2.8
149.09663	1.2
153.12799	1.1
157.10121	1.4
163.11255	3.9
173.09712	1.8
175.11246	1.3
181.12357	2.9
191.10739	1.9
193.12308	2.3
226.17905	1.1
227.12872	4.4
229.14455	1.6
236.16423	5.1
243.23653	1.1
254.17514	9.8
255.26814	1.1
255.63396	1.2
267.16174	1.5
285.17001	1.9
296.18616	10.4
301.16446	1.1
310.20554	1.2
314.19595	12.2
328.21051	2.1
370.22195	6.5
376.70807	1.1
388.23312	10.0
391.35583	1.3
523.59064	1.1
527.87402	1.0
538.33691	8.8
580.34760	7.3
580.86182	1.0
598.35889	100.0
599.36041	4.8
655.76959	1.2
742.39569	1.4
760.41132	71.5
761.40765	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	760.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.58495	1.3
55.01876	7.9
55.05514	11.9
57.03434	5.9
61.02934	1.5
65.03944	1.9
67.05505	38.7
69.03430	4.1
69.07067	14.4
71.04995	5.0
76.24429	1.4
79.05492	23.6
79.05947	1.9
81.03417	18.6
81.07056	42.7
83.04974	8.3
83.08618	8.1
85.02906	3.9
85.06552	5.4
86.09713	10.1
91.05474	33.2
93.07047	25.6
95.04970	9.1
95.08594	13.5
97.02876	3.6
97.06525	8.2
97.10188	2.7
98.98494	1.7
99.04491	2.2
99.08097	1.7
99.62479	1.4
105.07024	30.6
107.04961	5.2
107.07910	2.7
107.08589	26.5
109.02911	2.2
109.06532	5.3
109.10159	36.9
111.08077	1.6
113.06011	1.7
116.50253	1.3
117.07008	7.2
119.08570	14.6
121.10122	7.4
123.08055	1.8
123.11703	6.7
125.00005	8.2
125.09634	2.4
127.07555	3.0
129.06989	2.5
131.08591	8.8
133.10129	54.5
135.08066	2.6
135.11725	5.5
137.09584	2.5
143.08572	2.6
145.10100	7.0
146.47275	1.1
147.08098	1.7
147.11705	5.4
149.09601	6.7
149.13257	3.1
151.11180	25.9
156.13124	1.2
157.10152	1.9
159.11725	6.0
161.09689	1.4
161.13246	2.1
163.11140	3.2
165.09166	2.3
168.15402	1.2
169.10071	1.6
169.12248	4.0
171.11630	1.4
173.04462	1.2
173.13354	2.7
177.12784	3.1
179.10776	1.7
184.07338	36.6
185.07698	1.6
195.13966	1.7
215.12820	4.4
239.12766	10.9
253.14348	100.0
255.12999	1.3
255.15717	3.1
257.18988	3.5
269.17426	8.6
271.15405	24.7
273.88116	1.9
275.20056	12.6
296.01190	1.3
333.24399	1.5
349.23700	8.6
416.69894	1.4
447.27505	2.0
451.26962	11.7
465.28500	53.8
513.00336	1.4
513.32190	18.1
545.34576	15.1
563.35815	4.4
609.32764	2.2
710.43433	1.9
760.40161	5.4
761.40649	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	760.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01878	6.3
55.05510	10.5
56.66278	1.2
57.03431	7.0
61.02920	1.3
65.03947	1.6
67.05504	38.7
67.05868	2.0
69.03435	4.4
69.07065	16.1
70.52945	0.9
71.04989	3.4
73.02917	1.7
73.04784	1.0
78.48012	0.9
79.05497	24.0
81.03422	5.5
81.07054	38.3
83.04987	8.2
83.08625	5.7
84.91199	1.0
85.02913	4.1
85.06528	4.6
86.09691	5.3
91.05471	31.7
93.07045	21.4
95.04971	7.2
95.08605	10.5
97.02904	2.5
97.06529	6.9
97.10177	3.7
99.04450	2.2
99.08076	1.4
103.05504	1.1
105.04518	1.1
105.07027	28.6
107.04974	3.3
107.08594	28.9
109.02880	1.0
109.06521	5.0
109.10151	42.5
109.10891	2.1
110.99839	0.9
111.08110	1.4
113.06019	2.3
115.05412	0.9
117.07040	5.7
119.08573	9.1
121.06522	2.6
121.10168	6.9
123.08072	2.5
123.11705	8.1
124.99996	2.6
125.09632	3.7
127.03935	2.3
127.07555	2.4
129.07030	2.6
131.08549	7.3
133.10126	53.6
135.08102	1.7
135.11661	4.9
137.09650	2.1
141.06964	1.1
143.08530	1.4
144.09377	0.9
145.10110	5.8
147.08109	1.7
147.11647	4.5
149.09604	6.1
149.13214	2.7
151.11172	22.7
157.10089	2.0
159.11700	4.3
161.13295	1.4
163.11227	3.3
169.10121	1.1
169.12170	4.4
171.11678	1.7
173.13269	2.6
175.11264	1.3
177.12730	1.6
179.14426	1.3
184.07333	15.9
189.11275	1.9
189.95248	0.9
195.13896	1.4
215.12772	2.7
227.12781	3.3
253.14342	100.0
254.14758	1.8
255.15912	2.1
257.19073	3.0
269.17465	4.4
271.15402	23.6
275.20050	17.8
276.20544	1.2
291.19498	1.3
293.21234	1.3
331.22821	1.2
349.23740	14.4
367.24570	1.4
407.96661	1.2
423.23889	2.4
425.24979	1.3
451.26837	8.8
465.21796	1.8
465.28491	32.3
466.12982	0.9
512.95032	0.9
527.33887	2.3
545.34711	28.1
546.35297	1.5
563.35944	6.0
609.32782	2.3
724.42725	1.1
743.04779	1.1
760.40863	1.9
761.39807	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	760.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01868	5.6
55.05515	25.4
57.03179	2.1
57.03442	24.4
57.07072	4.2
59.04990	1.5
60.08160	4.6
61.02933	5.5
62.31841	1.6
65.03949	4.5
67.05507	80.8
68.05843	2.7
69.03431	6.5
69.07066	24.5
69.21577	8.4
70.28529	1.5
71.01354	2.3
71.04997	4.4
71.07378	2.4
73.02921	6.7
79.05497	62.2
80.05829	2.5
81.03419	100.0
81.07059	87.2
81.07553	1.5
82.03751	1.6
82.07405	4.9
83.04977	7.8
83.08622	25.3
85.02917	5.8
85.06546	5.0
86.09712	22.5
91.03966	3.0
91.05481	49.5
92.05818	2.1
93.07043	70.3
94.07368	3.7
95.04968	35.5
95.05535	2.8
95.08607	56.1
96.08961	2.5
97.02900	8.7
97.06544	6.9
97.10172	8.4
98.98489	1.8
99.08099	2.5
104.10802	1.6
105.04513	3.8
105.07030	40.7
107.04964	7.6
107.08592	38.1
108.08993	1.8
109.02850	2.2
109.06522	6.4
109.10154	23.6
111.04433	1.8
111.08080	8.2
115.05474	2.4
117.07043	13.5
119.08585	32.0
120.08939	2.5
121.06527	5.8
121.10142	31.9
122.10456	1.8
123.08099	6.1
123.11730	7.4
124.99995	17.1
125.09663	5.4
127.03957	2.9
129.07005	13.5
131.08580	28.1
133.06517	4.3
133.10117	20.3
135.08078	3.6
135.11690	16.8
137.09650	4.2
137.13321	2.6
139.11220	2.1
142.07794	3.4
143.08612	4.9
145.06480	2.3
145.10139	17.3
147.08032	3.5
147.11710	19.6
148.12047	1.8
149.09645	5.8
149.13252	15.1
150.13672	1.7
151.11214	1.9
155.08665	1.9
157.10146	13.2
159.11684	11.4
161.13231	8.1
163.11224	3.7
163.14786	2.0
165.12845	2.9
169.10149	2.7
171.11729	4.4
173.13324	6.2
175.11218	7.9
175.14851	3.2
183.11884	2.3
184.07344	79.5
185.13310	2.1
187.14919	2.3
189.11221	4.9
189.12872	1.7
193.12248	21.6
195.13768	2.7
199.14825	2.9
201.16571	1.8
211.13293	2.7
227.12799	9.0
227.22919	1.4
233.15295	1.8
234.47806	1.8
235.13226	2.0
239.34012	1.3
243.08539	1.7
243.21141	4.9
247.17104	1.5
249.14847	2.1
259.20700	4.9
261.22198	18.4
267.15909	98.5
268.16333	3.1
269.17590	6.7
270.17944	2.8
271.18164	1.9
273.18600	1.8
277.21411	1.6
285.17227	1.9
287.23828	1.7
301.25284	5.6
309.17206	2.7
317.24884	3.1
331.98148	1.8
333.24316	3.2
334.24780	2.3
335.25803	82.9
336.26205	2.9
435.27432	1.8
435.32736	5.7
453.21109	2.5
453.33612	7.8
464.30692	2.6
465.31366	2.1
466.21451	3.8
471.34668	6.0
509.36536	2.7
527.37329	62.1
528.37628	3.9
529.38916	1.8
545.38342	54.9
546.39050	4.6
563.39209	6.4
569.38538	3.8
588.67999	1.7
710.44104	6.5
760.43243	55.9
761.40833	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01862	4.4
55.05511	22.1
57.03439	16.0
57.07067	4.9
59.04976	2.1
61.02924	5.6
62.32594	1.4
65.03934	4.7
67.05505	100.0
69.03431	8.9
69.07068	27.6
69.47795	2.4
69.48181	4.4
71.04633	2.4
71.04995	35.5
71.08646	7.5
73.02907	3.8
79.05495	58.3
79.16544	1.6
81.03416	12.6
81.07059	71.3
83.04989	9.8
83.08617	13.3
85.02901	8.7
85.06546	8.5
86.09702	9.0
88.28465	1.6
91.03949	2.1
91.05479	59.7
93.07045	70.9
94.07343	1.6
95.04971	15.7
95.08607	40.5
97.02885	5.7
97.06523	11.4
97.10178	6.4
99.04423	2.3
99.08080	6.0
105.04527	3.6
105.07037	40.8
107.04970	4.2
107.08594	36.6
109.06525	3.2
109.10161	50.9
111.08079	6.1
117.07014	21.5
119.08584	42.6
121.06513	2.6
121.10145	27.9
123.08076	2.8
123.11695	5.2
125.00006	6.3
125.09594	9.0
127.03922	2.8
128.06212	1.8
129.05508	2.4
129.07008	10.5
131.08560	25.4
133.06462	2.1
133.10123	33.4
133.11130	1.7
135.08069	5.7
135.11693	26.3
137.09613	14.0
139.11143	1.9
143.08522	10.2
145.10112	21.9
147.08031	1.7
147.11673	23.6
149.09697	3.8
149.13232	14.5
151.11136	7.4
153.12698	2.5
155.08568	2.3
155.10660	2.3
157.10155	10.1
159.11728	19.4
161.13268	12.5
163.11221	8.7
163.14807	1.8
165.12773	3.2
169.10173	3.7
169.12198	2.3
171.11726	9.6
173.04457	2.4
173.11754	5.9
173.13284	8.3
175.14812	3.6
177.12755	4.2
179.10695	2.3
179.14287	2.3
181.12306	2.9
182.36351	1.5
183.11687	3.1
184.07349	32.5
185.07576	1.7
185.13272	5.6
187.13322	3.2
187.14845	4.3
189.11165	2.6
193.12160	3.6
195.13788	4.3
197.13258	3.5
199.14873	4.1
209.13243	2.0
211.13312	4.1
213.14787	1.8
215.18016	1.9
227.12784	5.0
229.14363	4.9
231.21054	2.3
241.19449	7.9
243.15887	8.1
243.21086	1.9
249.16335	1.6
249.44923	1.7
253.14333	2.1
255.15854	4.9
257.19000	2.2
259.20544	27.1
261.22079	2.7
267.16074	2.0
269.17416	30.3
270.17877	2.0
277.21591	7.1
278.40469	1.6
279.20819	1.6
283.15717	1.6
283.20605	1.9
285.16971	5.6
287.18472	21.7
301.21445	1.6
315.19672	1.8
315.23193	6.4
333.24210	24.8
335.25745	5.8
351.25302	11.2
367.24844	3.1
395.29318	6.1
403.29898	2.4
421.31052	4.3
423.27719	2.0
447.31082	2.2
463.24478	2.1
463.30539	30.3
469.20346	2.9
469.33090	6.2
487.34189	63.2
488.34174	3.6
489.35751	2.6
495.34488	3.5
513.28247	3.0
513.35730	43.9
519.36554	11.2
527.37128	4.7
531.36737	6.5
545.38403	47.3
563.39294	8.0
607.34406	1.8
689.41541	2.3
760.39417	29.7
761.40668	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05509	8.7
56.50115	1.5
57.03430	4.4
57.07087	1.8
65.03912	2.1
65.10806	1.2
65.24456	1.4
65.65688	1.3
67.05501	48.1
69.07064	11.6
69.48688	6.6
71.04995	12.5
71.08607	1.6
79.05487	10.4
81.07053	69.2
83.04982	1.9
83.08622	9.5
85.02886	2.1
85.06535	4.9
86.00245	1.3
91.05462	11.0
93.07039	14.8
95.08601	23.0
97.06523	2.3
97.10196	4.5
98.23473	2.7
105.07027	7.2
107.08588	7.8
109.10146	10.0
111.08097	2.2
111.16517	1.3
114.56777	1.4
119.08569	3.7
121.10167	7.6
123.11698	12.3
131.08536	1.6
133.10135	12.2
135.11687	4.5
137.13245	1.8
147.11731	1.6
149.13266	3.0
151.11180	4.5
159.11708	2.1
161.13232	2.6
183.13742	2.1
184.07338	2.9
187.13295	3.1
269.17459	4.6
273.92661	1.4
285.16916	1.5
301.20044	13.5
337.27368	29.4
338.27811	1.5
449.57419	1.7
501.40582	1.4
505.38837	87.9
506.39255	3.3
519.40491	2.4
531.40344	10.3
553.43542	1.3
563.43005	100.0
564.43127	4.8
571.47742	1.9
679.06689	1.5
771.94958	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	761.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.2
57.03434	1.1
59.05000	0.7
61.02938	1.7
63.18615	0.8
67.05485	1.6
69.03431	0.8
71.04979	1.2
71.33329	0.9
73.02914	1.3
79.05481	1.5
81.03412	1.8
81.07053	2.4
85.02901	2.1
91.05482	1.1
91.52564	0.6
93.07038	1.4
97.02894	1.5
97.06516	1.0
98.97608	1.4
103.85860	0.7
103.97103	0.7
105.07036	1.2
107.08554	1.1
109.10147	1.1
120.20439	0.8
143.00093	0.7
149.09619	1.2
157.10059	0.8
193.12132	0.8
193.80974	0.8
229.07491	1.4
239.09622	1.0
243.08946	0.8
267.09039	5.2
285.10068	4.0
293.05341	1.6
301.09283	1.0
317.06277	1.1
339.15707	0.9
389.08154	1.1
401.15683	1.6
415.17096	1.1
443.16870	3.0
447.15552	1.2
481.25806	0.9
485.17087	2.3
501.16376	1.1
501.23083	1.7
515.18787	1.3
517.20349	3.1
527.25647	1.1
545.19916	5.8
561.19751	0.9
589.22192	2.8
603.23761	1.1
617.25702	1.1
629.28485	1.5
645.28357	1.0
657.28687	4.9
659.30322	3.1
683.31488	1.0
701.31262	0.9
715.33514	1.6
743.33148	2.0
744.31641	0.9
752.45490	0.9
761.33337	100.0
762.33545	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	761.335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.8
57.03435	1.0
61.02927	2.5
67.05505	2.6
68.15203	0.5
69.03439	1.2
71.05003	1.2
76.54043	0.5
79.05514	1.6
81.03430	1.4
81.07068	2.0
83.08586	0.7
85.02915	1.5
89.56812	0.6
91.03954	1.3
91.05485	1.5
93.07043	1.2
95.04967	0.9
95.08647	0.9
97.02917	1.2
98.22618	1.3
98.97596	0.7
105.07066	0.8
107.04951	0.8
112.99141	0.7
119.08624	0.6
127.03929	0.8
135.11508	0.6
153.07242	0.6
157.10173	0.9
174.64825	0.7
204.26822	0.6
243.08406	0.8
267.09070	3.1
267.15729	0.6
283.08719	1.1
283.15167	1.2
285.10178	2.0
293.05377	0.7
293.74088	0.6
313.05750	0.5
351.02740	0.6
413.17758	0.9
469.20557	1.8
485.17029	1.1
501.22958	4.3
555.21948	0.6
580.94037	0.7
657.28833	100.0
658.29156	5.0
715.32623	0.8
729.36920	3.3
743.33527	1.0
744.18597	0.6
761.37097	29.5
762.34650	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	761.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	1.0
55.02077	0.4
55.05449	1.2
57.03371	1.8
57.03615	0.5
57.08240	0.5
61.02845	3.1
67.05422	4.0
67.86203	0.5
69.03347	1.5
69.07030	0.5
71.04938	0.7
76.15491	0.5
79.05434	1.1
81.03352	1.1
81.06981	1.4
83.01041	0.7
83.04933	0.7
83.08545	0.9
84.01832	0.6
85.02812	3.7
91.03851	2.7
91.05384	1.3
93.06957	1.4
95.00999	0.9
95.08520	0.7
96.01798	0.6
97.02777	2.6
99.04376	0.8
101.02325	0.7
105.06960	0.8
107.08530	0.9
109.10160	4.0
119.08495	1.0
123.04070	1.5
125.09575	0.6
127.03808	1.5
129.05382	1.3
133.10043	0.5
139.03577	0.7
145.04848	0.9
145.48239	0.6
153.14619	0.4
156.03825	0.8
173.11569	1.3
181.04750	4.1
183.02602	0.7
184.03326	1.5
185.02689	0.6
185.04207	8.1
195.09903	3.1
199.05821	2.7
201.03693	4.7
203.05200	0.9
221.11432	2.5
227.05295	1.0
229.14233	1.6
235.12848	1.8
237.10861	0.7
241.06776	1.0
243.08382	3.3
259.08115	0.6
265.13962	1.8
271.15408	0.5
272.26474	0.6
278.97919	0.5
283.15106	0.5
284.39285	0.6
293.13519	4.1
299.99747	0.5
301.08908	21.5
307.15073	1.2
311.14676	1.2
315.10544	3.6
327.10403	0.9
339.14078	4.5
341.12024	1.3
343.13751	0.9
355.13644	0.8
357.15295	1.3
360.10141	1.5
369.15021	1.9
373.11011	8.0
377.22919	2.4
383.16919	2.3
385.18344	10.7
387.12384	1.5
401.14169	0.8
413.17752	15.4
415.15726	1.3
423.23718	0.7
429.17310	6.3
441.21509	0.8
443.18793	2.4
444.19415	1.9
457.20438	2.3
459.18289	0.7
471.22064	0.6
485.19806	10.6
499.21548	2.7
513.23407	2.0
517.22729	0.7
527.24670	2.1
528.28931	0.6
555.27783	4.7
569.29346	0.8
585.28912	1.8
589.24591	0.8
595.30859	0.9
597.28864	0.8
611.30341	0.9
639.29657	1.4
640.30438	0.7
657.30859	100.0
658.31299	5.7
724.72357	0.6
743.36212	0.7
761.36536	30.3
762.36377	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	761.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
57.03443	0.4
57.12422	0.2
61.02949	0.3
67.05521	1.6
69.07071	0.5
73.02927	0.3
79.05492	1.6
80.05824	0.3
81.03436	0.4
81.07061	2.1
82.07427	0.3
83.08616	0.5
85.02918	0.4
91.05508	0.9
93.07063	1.2
94.07377	0.3
95.05013	0.3
95.08618	1.3
98.23512	0.5
105.07072	0.6
107.08626	1.0
109.06566	0.3
109.10193	0.9
119.08606	0.5
121.10192	0.4
125.00037	0.4
131.08618	0.5
133.10179	0.4
135.11745	0.4
145.10056	0.3
147.11754	0.3
175.11133	0.2
175.30748	0.2
180.09563	0.2
184.07404	0.7
200.80702	0.3
201.07605	0.2
229.01355	0.3
265.08527	0.6
266.60156	0.2
267.15799	0.3
285.17148	0.7
286.17368	0.4
335.25919	0.7
336.26288	1.1
337.27533	0.4
413.34409	0.3
426.18680	0.3
454.33655	0.3
463.30756	0.8
478.64963	0.3
519.28937	0.3
535.26917	0.7
545.38824	0.6
546.38757	1.3
740.62604	0.4
761.38745	100.0
762.39136	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	761.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05516	1.9
56.05861	0.5
57.03439	1.0
61.02924	0.5
65.03904	0.3
67.05510	4.7
68.05849	0.6
69.07079	1.5
69.23429	0.3
77.03938	0.3
79.05494	2.9
80.05834	0.5
81.03434	0.8
81.07062	4.3
82.07397	0.5
83.04993	0.4
83.08631	0.9
85.02929	0.6
86.03177	0.3
91.05486	1.5
93.07065	2.4
93.33121	0.3
94.07360	0.4
95.04999	0.9
95.08616	2.3
97.02909	0.5
97.06570	0.6
97.10195	0.9
98.22661	0.6
105.07053	1.7
107.08595	1.3
108.08945	0.5
109.10174	2.0
111.08121	0.4
119.08620	0.9
120.08987	0.3
121.10182	1.3
123.11707	0.4
125.09630	0.4
126.57605	0.3
131.08583	0.6
132.08836	0.3
133.10191	0.6
135.11754	0.7
149.13261	0.4
160.12007	0.3
173.13385	0.4
184.07451	0.7
201.84933	0.3
211.15367	0.3
229.14468	1.2
230.14876	0.4
261.22290	0.3
266.65054	0.3
285.17105	1.0
301.16583	0.7
302.16949	0.4
335.25757	1.7
336.26297	2.2
337.27481	0.8
338.27753	0.4
477.35278	0.4
478.36313	0.5
483.16544	0.8
490.36081	0.5
535.26324	0.3
545.38745	0.6
546.38861	0.9
555.37994	0.3
564.40277	1.0
663.42303	0.6
713.82886	0.3
733.90216	0.4
761.38776	100.0
762.39221	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	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01868	0.5
55.05511	0.8
56.33123	0.3
57.03437	1.2
59.05003	0.8
61.02919	3.1
67.05499	2.0
69.03427	1.9
69.07072	0.9
71.01352	0.5
71.04986	2.0
73.02923	3.1
79.05507	2.0
81.03414	3.6
81.07054	2.0
83.04982	1.0
83.08617	1.0
85.02898	3.7
85.06564	0.6
87.04527	0.4
91.03963	1.5
91.05482	2.9
93.07056	2.9
95.04967	1.3
95.08603	0.9
97.02895	3.1
97.06536	0.7
98.23493	0.9
99.04462	0.4
101.02398	1.6
103.03936	0.5
105.07006	1.7
107.08620	1.3
109.02912	0.5
111.04469	0.4
111.08108	0.6
112.31469	0.3
119.08615	2.0
121.10156	2.3
125.62434	0.3
127.03936	1.2
129.07076	0.8
131.08615	1.4
133.06519	0.5
133.10143	0.6
137.09641	0.4
143.29874	0.4
147.11728	1.5
149.09596	2.6
157.10155	1.4
163.11241	0.4
174.05141	0.4
175.11203	1.2
185.04309	0.4
193.12202	2.5
197.15437	0.4
225.14917	1.1
243.08385	2.3
267.15982	1.5
283.15155	6.2
339.17755	1.9
441.21210	0.7
469.20407	1.0
482.80423	0.4
501.23068	27.7
502.23590	1.4
599.33905	0.6
753.84332	0.4
761.39240	100.0
762.39490	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	761.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.5
55.01791	1.0
55.05450	1.1
57.03350	1.6
58.39327	0.3
61.02833	4.0
61.03169	0.9
65.03877	0.7
67.05401	8.3
67.05805	1.3
69.03327	2.5
69.06971	2.2
71.01250	0.5
71.04889	3.4
71.05308	0.9
79.05386	3.2
81.03312	2.7
81.06944	7.0
81.07465	0.7
83.04926	0.9
83.08510	1.7
85.02789	5.3
85.06477	0.6
86.09609	0.8
91.03837	3.3
91.05360	5.5
93.06926	3.6
95.04855	1.0
95.08484	2.0
97.02758	3.4
97.06421	1.1
99.04375	1.0
101.02258	1.9
103.03847	0.5
105.06892	2.0
107.04841	0.5
107.08462	2.2
109.02770	0.9
109.06413	0.6
109.10021	5.4
111.07944	0.4
115.03791	0.4
117.06890	1.1
119.08443	1.7
121.10023	1.2
123.11620	0.8
127.03800	1.4
131.08430	1.2
133.10138	2.9
135.07944	0.6
135.11620	0.6
135.91649	0.4
137.09534	0.8
143.90340	0.4
145.10013	0.8
147.11528	0.6
149.09508	1.1
149.13147	0.7
151.11017	1.8
151.71857	0.4
155.10625	0.6
159.11554	0.7
169.10057	0.4
173.11760	2.1
175.11169	0.7
184.07375	2.9
187.13142	0.8
193.12129	1.4
195.09860	0.9
211.13132	1.8
229.14169	1.3
235.90938	0.4
243.08409	2.6
257.17365	1.1
267.15738	2.9
269.17548	1.1
285.16785	1.5
321.20413	1.0
323.18439	0.6
413.12534	0.7
413.17834	13.3
453.20572	0.7
485.23569	12.5
528.94849	0.5
531.32843	0.8
613.31836	0.5
625.31097	0.5
657.34570	100.0
658.34845	5.9
704.83917	0.6
715.38507	0.5
743.38721	0.7
761.39252	15.6
762.38275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.18929	0.3
55.01870	0.7
55.05508	0.8
57.03435	1.8
59.51860	0.3
59.62851	0.3
61.02922	3.7
67.05508	3.1
69.03428	2.3
69.07068	2.1
71.01382	0.4
71.04984	0.7
73.02923	2.9
79.05494	2.5
79.77827	0.3
81.03419	3.9
81.07053	3.9
83.04993	1.2
83.08610	1.6
85.02901	5.8
89.02186	0.3
91.03960	2.5
91.05480	4.1
91.94975	0.3
93.07048	2.5
95.04986	1.8
95.08593	2.3
97.02903	3.2
97.06538	0.7
98.22714	0.8
99.04460	0.4
101.02383	1.2
103.03999	0.4
105.07021	3.6
107.04978	0.9
107.08616	1.2
109.02888	0.6
109.06578	0.4
109.10186	0.4
110.22852	0.3
111.08103	0.6
113.06044	0.4
117.07051	0.6
119.08575	2.3
121.10169	1.1
127.03941	1.4
129.07024	0.6
131.08536	1.6
133.10150	2.1
135.11739	0.5
137.09644	0.5
145.10104	0.7
147.07997	0.3
147.11659	1.6
149.09695	0.7
149.13303	0.3
157.10156	1.1
159.11794	0.5
161.13223	0.3
163.11234	0.7
171.81017	0.3
175.11209	1.3
179.14433	0.6
185.04190	0.6
193.12315	1.2
202.86002	0.3
203.05331	0.6
211.13452	0.3
243.08350	2.5
248.11731	0.3
251.12645	0.9
259.08044	0.3
267.15900	0.3
275.20041	0.7
307.15408	0.6
315.19327	5.9
371.22052	1.1
424.87448	0.3
469.20450	12.1
470.20840	0.6
533.27124	5.1
599.36151	0.6
612.39709	0.4
761.40759	100.0
762.41101	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01867	0.7
55.05510	1.3
57.03440	1.3
59.04992	0.3
61.02929	3.8
65.03942	0.4
67.05502	3.7
69.03435	2.7
69.07072	3.6
71.01363	0.4
71.04993	0.8
73.02917	3.1
74.59406	0.2
79.05495	3.3
80.05884	0.2
81.03413	3.0
81.07062	4.0
83.04993	1.1
83.08627	1.0
85.02905	4.9
86.09693	0.6
87.04483	0.4
91.03963	2.1
91.05474	3.8
93.07042	3.0
95.01321	0.6
95.04985	1.0
95.08611	2.6
97.02909	3.0
97.06535	1.0
97.10155	0.4
97.54124	0.2
99.04465	0.6
101.02378	1.7
103.03927	0.4
105.07026	4.9
107.04970	1.8
107.08595	1.5
109.02874	0.3
109.06545	0.8
109.10176	0.4
111.08100	0.7
115.03949	0.4
117.07040	0.8
119.08586	3.0
121.06528	0.4
121.10154	1.0
123.08086	0.5
123.11736	0.3
127.03931	1.0
129.07036	0.6
131.08571	1.4
133.06560	0.2
133.10124	2.5
135.11726	0.9
137.76245	0.2
145.10135	0.9
147.11681	1.5
149.09587	1.2
149.13252	0.4
157.10179	0.8
159.11742	1.0
161.13293	0.5
163.11209	0.7
165.74135	0.2
169.10170	0.3
169.99312	0.2
175.11246	0.4
179.14410	0.9
184.07281	1.4
185.04311	0.5
193.12299	0.9
203.05241	0.5
211.13332	0.5
243.08397	3.4
251.12576	0.9
275.20050	0.5
307.15250	0.3
315.19287	4.1
371.21884	1.1
371.94647	0.2
469.20444	5.7
471.31754	0.3
533.27252	10.5
533.35455	0.5
534.27771	0.4
599.35602	0.4
761.40759	100.0
762.41052	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	761.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01864	0.5
55.05510	3.2
57.03440	3.4
57.07072	0.6
59.05005	0.7
60.08160	1.1
60.63396	0.4
61.02923	6.4
65.03947	0.6
67.05505	11.9
68.05845	1.0
69.03435	3.9
69.07072	3.4
70.07400	0.5
71.01364	0.6
71.04989	1.1
71.07362	0.6
73.02935	3.2
76.52269	0.4
79.05498	8.1
80.05825	0.4
81.03420	2.9
81.07060	12.5
82.07415	1.0
83.04985	1.4
83.08628	1.8
85.02910	5.9
85.06534	1.0
86.09707	4.7
87.04457	0.6
91.03968	3.9
91.05477	7.1
93.07050	8.7
93.07610	0.7
94.07375	0.5
95.04967	2.7
95.08605	7.7
96.05275	0.4
96.08949	0.7
97.02888	5.5
97.06545	1.3
97.10202	0.5
98.97868	0.5
98.98486	1.0
99.04485	1.0
99.08111	0.9
101.02413	1.9
104.10760	0.5
105.04506	0.4
105.07024	3.9
106.07394	0.7
107.04945	0.9
107.08604	5.3
108.08942	0.6
109.02901	1.7
109.06551	1.2
109.10146	3.3
109.20260	0.5
111.08092	0.6
115.03985	0.7
117.07039	1.5
119.08600	3.6
121.10133	3.4
123.11752	1.0
124.99989	3.2
127.03938	1.9
131.08521	2.4
131.19739	0.4
131.54021	0.4
132.08974	0.4
133.06485	0.5
133.10138	3.5
135.08089	0.6
135.11705	2.7
137.13182	0.6
145.10172	1.6
147.11737	1.5
149.09697	0.6
149.13242	1.2
150.13676	0.4
151.11185	0.8
157.10153	1.0
159.11720	1.5
161.13271	0.6
163.14821	0.4
173.13326	0.5
175.11259	0.7
184.07349	15.7
185.04242	0.6
189.09062	0.8
192.76859	0.5
193.12299	0.5
195.13853	0.5
203.05341	0.5
243.08463	1.2
243.21210	0.6
261.22168	1.1
265.10468	1.5
267.15906	0.8
269.17581	1.4
270.17874	0.8
285.16898	3.0
286.17444	1.8
301.11401	0.5
335.25827	5.8
336.26233	2.8
381.93427	0.5
391.22217	0.5
436.32867	0.5
464.31116	0.8
483.18390	3.1
519.29272	6.7
528.37970	0.7
530.39539	1.5
545.38513	2.0
546.38812	3.8
564.39551	0.9
610.87158	0.5
712.45709	1.3
761.40778	100.0
762.41064	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
55.05518	6.9
55.70358	1.0
57.03443	4.8
57.07088	1.3
60.74742	1.1
61.02935	6.3
67.05506	17.8
68.05833	1.8
69.03434	4.4
69.07092	5.2
71.05031	1.4
71.08640	1.8
73.02924	4.8
79.05503	14.6
81.03423	4.3
81.07060	17.3
82.07393	1.9
83.04993	1.7
83.08630	4.3
85.02480	1.2
85.02895	6.3
86.09708	6.5
88.70736	1.3
91.03957	2.5
91.05482	9.4
92.05836	1.1
93.07047	14.3
93.07594	1.4
93.56529	1.1
95.04987	4.5
95.08624	9.7
95.14095	1.1
97.02898	6.6
97.06544	1.8
97.10230	1.0
99.08102	1.5
101.02391	1.6
105.07026	8.4
107.08607	7.0
109.06548	1.9
109.10175	7.0
111.08106	1.5
117.07065	3.7
119.08581	7.1
121.10173	4.6
122.10464	1.1
123.11691	1.4
125.00064	3.7
127.03945	1.6
129.07080	1.5
131.08603	3.8
133.10158	5.1
135.11697	2.7
145.10222	1.9
147.11691	1.5
149.13316	1.9
151.11227	1.4
159.11731	2.5
161.09738	1.1
161.77734	1.2
184.07370	21.2
184.08914	1.9
187.14679	1.1
193.12303	2.1
197.13300	1.3
243.08485	1.1
265.10220	1.2
265.67316	1.3
267.15930	1.2
269.17542	1.2
285.17056	4.4
286.17441	3.4
301.16620	1.4
335.25888	7.6
336.26147	2.6
375.95901	1.1
393.75494	1.4
463.30521	1.7
483.18393	7.2
519.29279	3.6
545.38220	1.9
546.39001	4.7
563.39832	1.9
581.42261	2.4
582.42700	4.8
644.85931	1.1
712.45923	1.7
741.09344	1.3
761.40839	100.0
762.40967	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	762.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.01873	7.3
55.05512	12.1
57.03444	9.1
60.08171	6.9
61.02928	3.3
65.03962	2.6
67.05514	40.1
68.05825	1.2
69.03430	5.7
69.07078	19.3
70.11497	2.2
70.11848	1.4
71.01377	1.8
71.05008	4.9
71.07378	3.1
71.55032	1.0
73.02908	1.6
79.05502	23.4
81.03424	34.6
81.07066	30.6
83.04998	7.1
83.08631	3.6
84.64542	1.1
85.02919	9.3
85.06561	2.5
86.09716	30.4
86.10219	1.9
91.03960	2.1
91.05489	61.3
92.05843	1.3
93.07054	33.2
95.04984	9.5
95.08614	26.0
97.02925	4.3
97.06542	10.5
97.10200	3.6
98.23087	2.9
98.98471	2.7
99.04456	1.2
99.08122	1.5
104.10780	2.2
105.04523	1.7
105.07042	20.1
106.73044	1.1
107.04985	5.1
107.08589	11.7
109.02927	1.2
109.06554	4.3
109.10162	21.2
111.08101	4.2
115.07611	1.5
117.07024	10.9
119.08594	54.7
121.06541	6.4
121.10148	9.2
123.08059	5.0
125.00019	21.8
125.09669	4.7
127.03970	1.9
129.05481	3.9
129.07022	5.7
131.08591	6.4
133.10156	7.7
135.08084	4.6
135.11729	5.2
137.09633	29.3
143.08575	2.8
145.06654	1.4
145.10139	5.5
147.08073	8.4
147.11705	5.1
149.09610	7.5
149.13242	1.7
151.11281	1.9
155.10786	1.3
157.10158	2.5
159.11742	4.5
161.09631	1.4
161.13332	3.4
163.11223	5.0
165.09135	24.1
167.10678	1.6
168.96252	1.1
171.10202	1.5
173.04489	1.2
173.11783	3.7
173.13237	2.1
175.11298	1.7
177.12767	2.1
179.14336	2.0
181.12376	1.3
183.10165	6.9
184.07361	100.0
193.12169	1.1
227.12810	2.5
229.14415	4.9
239.12796	12.9
241.14313	1.9
243.15874	2.2
255.15961	2.8
257.13867	22.9
257.19171	1.6
267.15988	1.3
269.17511	2.3
274.70700	1.1
275.20105	12.4
291.19608	2.2
334.98801	1.0
341.74924	1.3
349.23779	16.5
353.19568	2.3
383.23773	1.1
395.24484	1.4
411.23804	6.5
425.25720	1.3
435.27414	4.1
437.25269	1.3
451.27042	1.3
513.32233	6.1
515.33972	1.2
531.33362	12.1
549.34216	2.0
662.35968	2.2
744.44244	2.2
762.42200	6.9
763.39874	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	762.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01876	10.6
55.05500	15.2
57.03439	17.4
59.42429	2.0
60.08150	3.8
65.03947	3.9
67.05508	41.4
69.03418	6.6
69.07058	29.5
71.04997	5.3
71.07380	5.7
73.02929	5.2
79.05496	36.9
81.03426	24.4
81.07056	42.0
83.04996	8.5
83.08620	12.1
85.02916	8.7
85.06543	4.5
86.09710	29.9
91.05482	43.1
93.07041	35.4
95.04957	15.3
95.08622	18.6
97.02889	5.3
97.06532	13.8
97.10184	2.8
98.98507	3.2
99.08103	2.5
105.04612	2.8
105.07040	18.8
107.04964	11.6
107.08582	16.0
107.16965	2.2
108.23799	2.2
109.02845	2.4
109.06534	5.8
109.10158	10.2
111.08061	6.2
117.07026	11.9
119.08598	23.6
121.06528	4.9
121.10152	11.7
123.08059	7.1
125.00008	21.1
125.09665	5.6
127.03902	2.9
129.05486	19.5
129.07007	6.4
131.08557	13.1
133.10156	13.2
135.07144	2.8
135.08070	14.0
135.11696	9.3
137.09622	10.0
143.07059	11.6
143.08575	5.1
145.10127	7.2
147.08058	5.7
147.11697	5.6
149.09642	8.8
149.13280	7.2
151.11116	3.4
157.10107	3.4
159.08028	2.3
159.11697	7.7
161.13254	3.0
163.07506	2.5
163.11227	4.5
165.09151	6.1
167.10658	2.9
173.13091	2.0
184.07335	100.0
185.07675	2.5
193.12257	5.4
195.13795	2.9
211.13290	8.2
227.12822	7.7
239.12839	4.6
241.14432	5.8
247.16891	2.7
255.12361	2.9
255.15788	5.3
257.13895	4.3
257.18988	3.4
267.16000	6.6
269.17517	11.6
273.13348	30.9
275.20117	8.1
285.16928	4.3
301.16577	2.9
321.20432	2.8
330.18668	2.7
349.23727	8.4
395.24310	3.3
453.24817	5.1
467.26257	15.3
531.33313	2.7
547.32910	9.8
565.34003	2.5
573.48151	4.2
658.34790	5.2
762.43317	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	762.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
54.46077	1.5
55.01863	7.6
55.05507	19.2
57.03444	17.4
57.07060	2.6
61.02926	4.4
65.03928	4.0
67.05502	64.6
69.03436	8.4
69.07071	28.7
71.04984	20.6
71.07380	2.3
73.02921	3.0
77.03905	2.6
79.05492	54.4
81.03410	30.1
81.07054	57.5
83.04979	11.0
83.08620	11.7
85.02907	7.2
85.06548	4.3
86.09704	7.3
87.04490	1.8
91.05478	48.7
91.06051	2.4
93.07043	54.4
95.04968	11.5
95.08604	100.0
97.02880	8.1
97.06545	15.0
97.10159	9.1
99.08031	2.8
102.72834	1.7
103.05415	1.6
105.07033	39.2
107.04939	4.7
107.08587	28.8
109.02851	2.0
109.06527	4.6
109.10152	16.2
111.08086	5.4
113.05999	1.6
115.05472	2.9
116.06271	1.6
117.07015	15.1
117.12194	1.7
119.08578	28.4
121.06527	6.1
121.10146	35.7
123.08070	16.4
123.11671	3.2
125.00047	3.7
125.09626	7.4
127.03898	2.6
128.06224	2.4
129.05495	7.4
129.07043	9.6
130.46805	1.6
131.08565	22.5
133.06493	1.8
133.10127	26.1
134.10522	1.7
135.08046	7.9
135.11700	12.8
137.09618	7.6
139.11195	2.7
141.06952	4.1
141.09093	3.5
143.07039	2.0
143.08572	8.1
145.06496	2.0
145.10118	14.8
147.08029	3.6
147.11632	14.0
149.09616	13.9
149.13266	5.9
151.11171	4.6
155.08580	2.2
155.10678	4.5
157.08777	2.8
157.10149	9.8
159.08037	1.6
159.10248	3.1
159.11690	12.4
161.09651	2.7
161.13278	4.3
163.11203	5.7
165.09161	3.6
167.10631	4.0
169.10126	2.7
171.10294	2.5
171.11673	8.9
173.11810	2.1
173.13292	5.0
175.11177	3.4
175.14781	3.0
181.10304	1.7
184.07341	20.1
185.13249	3.6
187.14902	2.5
189.11191	3.1
193.12180	2.1
195.13757	1.7
197.11714	4.6
199.14793	2.7
201.16357	2.8
211.14911	2.4
213.16386	7.5
215.12819	2.7
227.12758	7.6
228.13020	2.2
229.14212	2.1
231.17332	9.4
231.81230	1.6
239.12782	4.7
239.18008	2.1
241.14247	6.5
247.16914	2.5
253.14301	3.0
257.18954	3.0
259.20663	3.9
269.17581	4.0
273.16953	19.1
275.20029	8.6
301.16583	9.2
305.21103	3.5
313.27121	2.0
349.23688	6.3
395.23969	3.2
399.24289	1.9
405.27679	3.8
407.23761	2.0
409.25894	15.2
417.25259	1.7
421.25772	11.9
423.28033	4.7
435.27573	12.2
452.13895	2.0
453.28439	3.4
467.30167	22.0
470.20502	2.1
471.31134	4.6
479.31650	1.6
484.07663	1.8
489.32108	20.9
497.32581	17.4
503.33493	3.4
515.33655	35.6
516.33844	2.3
529.34741	4.0
533.34576	1.8
547.36401	15.7
565.36896	2.3
566.22382	2.0
573.48602	3.3
762.40948	7.7
763.41937	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01878	0.3
55.05501	0.9
56.05030	0.8
57.03429	1.1
58.06607	0.3
58.22140	0.2
59.04992	0.8
60.08163	6.1
61.02934	0.3
67.05502	4.3
67.06042	0.3
68.05826	0.4
68.39665	0.3
68.43467	0.3
69.03417	0.6
69.07071	2.1
69.32434	1.3
71.04983	0.8
71.07369	3.4
73.02897	0.5
79.05489	2.6
81.03420	2.4
81.07058	5.6
83.04948	0.3
83.08601	1.2
85.02901	0.9
86.09703	28.2
87.04465	0.9
91.03915	0.3
91.05484	1.9
93.07050	2.9
95.04964	0.7
95.08608	2.9
97.02892	0.8
97.06530	0.6
97.10175	0.4
98.98460	3.5
99.04454	0.8
104.10744	2.4
105.07026	1.1
107.08614	1.6
109.10146	1.2
117.07003	0.5
119.08586	1.0
121.10139	1.2
123.11735	0.5
124.99998	18.9
129.06987	0.4
131.08539	0.8
133.10114	1.0
135.08031	0.4
135.11667	0.7
145.10104	0.5
147.11699	0.6
157.10167	0.3
159.11673	0.4
161.13255	0.4
165.12856	0.3
173.13187	0.3
175.34004	0.3
184.07335	100.0
185.07741	0.4
193.12196	0.5
201.11205	0.8
214.64195	0.3
249.96266	0.3
261.21976	0.3
267.15915	2.1
285.16846	0.5
287.61728	0.3
329.36737	0.3
335.25763	2.5
336.26205	0.4
337.27209	1.8
440.98029	0.3
519.29211	0.5
529.39020	1.6
533.49890	0.3
539.62549	0.3
547.39850	1.8
617.19128	0.3
712.45422	9.3
762.40503	3.9
763.41364	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	763.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87442	0.7
55.01885	0.8
55.05517	1.3
56.95547	0.8
57.03445	2.8
58.06600	1.1
59.05025	0.9
60.72540	0.7
61.02935	6.3
67.05507	7.9
68.89476	0.8
69.03444	3.5
69.07074	1.5
69.26524	4.1
70.06591	1.0
71.05011	1.6
73.02917	4.6
75.09243	1.3
79.05513	2.9
81.03424	4.3
81.07072	3.1
83.08619	1.1
85.02916	6.0
87.04484	1.2
87.99428	0.9
91.03968	3.9
91.05497	3.5
93.07086	2.3
95.04998	1.4
95.08623	1.9
97.02897	6.0
101.02405	1.2
103.03941	0.9
105.07064	2.4
107.08593	1.3
109.02892	1.3
109.10161	7.6
119.08625	2.3
121.10197	2.4
125.00499	0.9
127.03952	1.5
129.07036	0.8
131.08597	2.0
133.10162	1.2
147.11757	1.3
149.09695	2.5
157.10228	1.2
173.11821	2.3
175.11310	1.1
181.12529	0.8
185.04292	0.7
193.12326	1.7
195.09879	1.2
229.14510	2.3
243.08511	2.1
267.15918	1.2
283.15179	5.3
339.17917	1.2
413.17920	18.1
443.18903	1.9
469.20773	2.2
485.20337	1.5
487.21857	1.9
501.23132	12.6
615.29926	1.2
659.32513	26.8
659.43176	1.7
660.32617	2.1
673.34076	100.0
674.34448	6.5
745.35565	2.7
763.36737	40.4
764.36938	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	763.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
57.03421	1.2
61.02917	1.5
67.05492	3.5
69.03423	1.4
69.07072	1.2
69.67450	1.5
69.67838	1.5
70.51830	0.7
73.02907	1.6
79.05477	2.3
81.03408	0.9
81.07057	4.1
83.04987	0.9
83.08601	1.0
85.02877	2.4
91.03923	1.1
91.05484	1.7
93.07009	1.9
95.08565	3.7
97.02872	1.9
100.98311	0.7
101.02349	0.9
107.08553	0.9
109.10145	1.1
121.10115	1.0
133.10153	1.5
135.11737	0.8
184.07344	1.8
243.08321	1.1
262.39679	0.8
264.45090	0.7
267.15912	1.0
303.49139	0.9
439.18973	1.0
519.29120	1.8
619.29602	0.8
717.41272	2.5
745.40118	1.2
763.40143	100.0
764.40381	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	763.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05024	0.4
61.02939	1.0
67.05524	1.6
69.03436	0.4
73.02934	0.8
79.05509	1.2
81.03403	0.3
81.07070	1.5
83.08626	0.4
85.02914	0.6
86.09726	0.5
91.03959	0.5
91.05492	0.8
93.07044	1.2
97.02910	1.0
107.08600	0.8
119.08616	0.6
121.10194	0.7
124.12668	0.3
124.38605	0.4
131.00197	0.4
133.10167	0.4
135.11699	0.4
168.17503	0.4
184.07439	1.5
185.07768	0.4
243.08517	0.4
259.18503	0.3
293.05560	0.4
330.01508	0.3
335.25787	0.6
453.21088	1.2
469.19086	0.5
485.19748	0.4
519.29486	0.5
551.26831	0.5
569.26245	0.4
677.35040	4.4
718.01599	0.5
745.41626	0.5
763.40521	100.0
764.40747	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	763.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.94733	0.3
57.03434	0.7
60.08167	1.5
61.02912	0.5
67.05508	1.6
69.03436	0.5
69.07069	0.6
69.46917	1.3
71.07379	0.7
73.02926	0.7
79.05491	1.5
81.03423	0.6
81.07053	2.0
83.08622	0.6
85.02908	1.1
86.09704	6.9
87.04455	0.4
87.10040	0.7
91.03958	0.4
91.05502	0.5
93.07032	1.4
95.08624	0.8
97.02913	0.8
98.98450	0.6
99.04465	0.3
101.02405	0.4
104.10757	0.8
105.07033	0.6
105.30146	0.3
107.08616	0.4
109.10167	0.4
119.08591	0.5
121.10160	0.4
125.00011	5.4
161.66466	0.3
184.07338	26.2
185.07709	2.8
267.09018	0.4
267.15869	0.3
288.33029	0.3
289.98291	0.3
337.27374	0.3
467.18961	0.6
485.17831	0.8
511.81741	0.3
519.29492	0.6
529.19434	0.4
530.39563	0.7
548.40533	0.4
645.37347	0.3
712.45721	0.6
713.45691	2.2
745.41394	1.4
763.40442	100.0
764.40948	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	763.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05507	0.8
57.03428	1.1
59.05000	0.5
60.05652	0.3
60.08160	0.7
61.02924	2.4
67.05502	2.5
69.03422	0.8
69.07065	0.7
69.63073	0.5
71.07377	0.6
73.02914	1.3
77.11598	0.3
79.05487	1.9
81.03419	1.2
81.07058	3.2
83.08627	0.7
85.02894	1.7
86.09698	4.1
87.04465	0.7
87.10046	0.5
91.03972	1.1
91.05479	1.0
93.07039	1.7
95.04987	0.4
95.08601	1.7
97.02908	1.2
97.10174	0.4
97.57191	0.3
98.98486	0.6
101.02404	0.7
105.07037	0.6
107.08601	0.8
109.10172	0.9
111.08128	0.3
117.07030	0.4
119.08587	0.6
121.10141	0.7
125.00011	3.4
127.03967	0.5
131.08665	0.3
133.10187	0.4
135.11700	0.4
145.10178	0.6
147.11809	0.3
184.07336	16.6
185.07690	1.7
243.08482	0.9
252.72440	0.3
267.09213	0.5
267.12076	0.5
267.15973	0.4
335.25876	0.4
336.26315	0.4
337.27414	0.5
338.27829	0.3
441.17392	0.4
467.19022	0.4
485.19897	0.8
501.40640	0.3
519.29517	1.8
535.26923	0.6
547.39862	0.5
548.40356	0.5
630.02350	0.3
647.43353	0.4
650.61346	0.3
662.42200	0.3
677.35205	1.1
713.45825	1.1
717.41998	0.5
745.40607	1.5
763.40710	100.0
764.41101	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	763.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
57.03421	1.2
61.02917	1.5
67.05492	3.5
69.03423	1.4
69.07072	1.2
69.67450	1.5
69.67838	1.5
70.51830	0.7
73.02907	1.6
79.05477	2.3
81.03408	0.9
81.07057	4.1
83.04987	0.9
83.08601	1.0
85.02877	2.4
91.03923	1.1
91.05484	1.7
93.07009	1.9
95.08565	3.7
97.02872	1.9
100.98311	0.7
101.02349	0.9
107.08553	0.9
109.10145	1.1
121.10115	1.0
133.10153	1.5
135.11737	0.8
184.07344	1.8
243.08321	1.1
262.39679	0.8
264.45090	0.7
267.15912	1.0
303.49139	0.9
439.18973	1.0
519.29120	1.8
619.29602	0.8
717.41272	2.5
745.40118	1.2
763.40143	100.0
764.40381	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
53.05973	0.2
55.01868	0.9
55.05501	1.7
57.03434	1.7
57.07076	0.3
61.02925	3.8
67.05503	5.2
69.03435	2.3
69.07076	2.5
71.01362	0.5
71.04984	0.6
73.02910	2.7
79.05487	3.4
80.71272	0.3
81.03416	1.4
81.07051	5.7
83.04992	0.8
83.08635	1.0
85.02898	4.0
87.04462	0.4
91.03945	2.4
91.05479	2.0
93.07036	4.1
95.04983	1.1
95.08577	1.8
95.51049	0.2
97.02892	2.9
97.06546	0.8
97.10140	0.3
99.04457	0.8
101.02375	1.6
105.07021	1.4
107.08598	2.4
109.02882	0.8
109.10172	0.5
111.08136	0.5
115.03916	0.4
117.07037	1.0
119.08591	1.0
121.10142	1.7
127.03944	1.4
131.08603	0.9
133.10132	0.9
135.11713	1.1
136.25017	0.3
147.11771	0.7
149.09692	0.3
149.13271	1.5
159.11760	1.0
161.13350	0.3
169.43756	0.3
177.12801	0.4
184.07358	0.5
185.04272	0.7
195.13910	0.5
214.02063	0.3
235.13150	1.0
239.76006	0.4
243.08411	3.0
269.17447	0.5
291.15735	0.5
300.36166	0.4
301.09167	0.4
303.19592	0.3
333.20407	2.1
387.12277	0.3
389.22885	0.8
439.19739	1.0
453.20911	10.2
469.20178	1.4
551.28168	5.0
601.36542	0.3
651.33533	0.3
763.42291	100.0
764.42639	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.94032	0.3
55.01873	0.4
55.05502	1.7
57.03435	1.7
59.49952	0.3
61.02922	4.0
67.05499	4.7
69.03419	2.9
69.07068	2.1
71.01373	0.4
71.05018	0.8
73.02920	3.6
74.84954	0.3
79.05488	3.5
81.03416	1.6
81.07058	6.7
81.07505	0.5
83.01335	0.4
83.04990	1.0
83.08627	1.1
85.02896	3.9
85.03323	0.3
85.06572	0.3
86.09745	0.5
91.03945	2.5
91.05474	3.1
93.07049	4.5
93.07601	0.4
95.04985	1.0
95.08608	2.2
97.02888	4.4
97.06538	0.7
97.35880	0.3
98.23551	0.4
99.04483	0.8
99.08112	0.3
101.02390	1.9
103.03960	0.5
105.07017	1.9
107.08589	2.8
109.02895	0.8
109.06570	0.3
109.10197	0.5
111.08090	0.4
115.03906	0.4
117.07054	0.5
119.08589	1.2
121.06580	0.4
121.10177	1.3
127.03909	1.4
131.08597	1.0
133.10143	1.5
135.11732	1.1
145.04944	0.4
145.10149	0.6
147.11736	0.4
149.09682	0.3
149.13280	1.4
159.11746	0.9
177.12860	0.4
184.07390	0.6
185.04199	0.5
195.13875	0.6
235.13168	1.2
243.08424	2.3
269.17621	0.4
291.15613	0.6
333.20313	1.9
389.22751	0.7
399.29044	0.3
438.13943	0.3
439.19446	0.6
453.20953	9.8
454.21216	0.4
469.20557	0.6
551.28302	4.5
601.37390	0.4
665.35376	0.8
763.42279	100.0
764.42432	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
53.22021	0.2
55.01870	0.5
55.05508	1.3
57.03435	1.7
57.15405	0.2
57.36320	0.2
61.02928	3.6
62.80098	0.2
63.54924	0.2
67.05505	3.4
67.24244	0.2
69.03431	2.3
69.07063	1.1
71.01356	0.3
71.04992	0.8
71.20252	0.2
71.47063	0.2
73.02917	3.0
79.05492	2.9
81.03419	3.0
81.07059	3.0
83.04990	0.6
83.08618	1.2
85.02906	4.4
88.83176	0.2
89.56835	0.2
91.03947	2.6
91.04401	0.2
91.05480	3.3
93.07053	3.5
95.04967	1.4
95.08608	1.6
97.02902	3.3
97.06547	0.6
97.10208	0.4
99.04489	0.7
101.02375	1.5
103.03936	0.2
105.07035	2.4
107.04951	0.5
107.08604	1.6
109.02896	0.9
109.06510	0.4
109.10178	0.8
109.56216	0.3
111.08029	0.3
111.43678	0.2
115.03909	0.3
117.07052	0.5
119.08587	1.9
121.10175	1.4
123.08123	0.3
125.09617	0.2
127.03923	1.4
129.07048	0.7
131.08562	1.2
133.10104	1.3
135.11742	0.7
136.18428	0.2
145.05014	0.3
145.10150	0.5
147.11697	1.4
149.09602	0.4
149.13251	0.6
157.10159	0.9
159.11748	0.4
161.13365	0.4
175.11227	0.6
184.07228	0.3
185.04314	0.8
193.12257	1.4
211.13359	0.7
243.08432	2.7
251.12547	1.1
259.20691	0.5
273.94510	0.2
285.16983	0.5
301.08923	1.2
307.15302	0.6
315.10538	0.3
317.20920	0.5
333.20575	0.6
333.41656	0.3
371.16574	0.4
373.23718	0.2
385.18381	0.4
415.15643	0.3
429.17389	0.3
443.19128	0.6
453.21100	1.1
465.21005	0.4
469.20450	10.0
470.20898	0.5
491.13638	0.3
535.28864	3.3
536.28638	0.3
541.22638	0.9
551.28351	0.5
555.24084	0.3
583.27173	0.4
625.32135	0.3
763.42358	100.0
764.42792	8.1
764.56848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01891	0.4
55.05513	1.9
57.03440	1.8
59.05009	0.6
60.08171	2.0
61.02922	5.2
65.37387	0.3
66.46587	0.4
67.05502	5.8
69.03432	2.7
69.07079	1.7
71.01372	0.5
71.04984	0.9
71.07388	1.0
73.02912	4.5
79.05493	4.1
81.03418	2.4
81.07052	6.3
83.04978	1.0
83.08636	1.2
85.02901	5.6
85.03345	0.5
86.09701	11.1
86.10215	0.6
87.10046	1.1
88.60496	0.4
91.03961	3.8
91.05490	3.1
93.07035	4.5
95.04974	1.3
95.08596	3.8
97.02891	4.9
97.06567	0.6
98.98488	1.5
99.04494	0.8
101.02405	1.6
103.03952	0.7
105.07043	2.0
107.08593	2.1
109.02885	0.8
109.10155	2.7
111.08123	0.6
115.03929	0.4
117.07091	0.7
119.08612	1.2
121.10180	1.6
123.08118	0.6
124.99995	8.3
125.00814	0.6
127.03956	1.8
131.08553	0.6
133.10178	0.9
135.11716	1.2
145.10147	0.9
149.13275	0.7
153.12788	0.5
161.13286	0.7
163.11223	1.4
183.32716	0.5
184.07338	35.8
185.04257	1.2
185.07707	3.9
203.05296	0.7
209.11813	0.7
243.08337	2.1
249.11131	0.5
267.12140	1.8
267.16022	0.8
285.04489	0.4
301.16541	0.6
335.25839	1.0
337.27567	1.2
338.27637	0.8
441.17148	3.6
453.20898	0.8
467.18893	0.9
485.19925	4.4
519.29224	5.1
525.98175	0.5
530.39154	0.6
548.40588	0.6
713.45789	3.2
717.41925	0.7
719.39337	2.1
745.41162	4.0
763.42224	100.0
764.42633	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	763.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05505	1.6
57.03430	2.2
57.07069	0.8
61.02928	5.2
67.05499	4.1
69.03431	3.6
69.07066	1.7
71.04994	1.0
73.02911	4.0
75.04453	0.5
78.92200	0.4
79.05477	2.8
81.03415	2.5
81.03834	0.4
81.07047	3.6
83.01117	0.5
83.04984	0.5
83.08642	1.2
84.01916	0.7
85.02908	5.6
86.09695	1.3
87.04461	0.6
91.03952	4.7
91.05486	1.7
93.07028	2.9
95.04967	0.7
95.08607	2.7
96.01897	0.6
97.02898	4.7
97.10145	0.6
99.04462	0.9
101.02393	1.8
103.03942	0.5
105.07020	1.0
107.08596	1.8
109.02869	0.8
109.10176	1.1
115.03902	0.4
117.05498	0.5
117.07030	0.6
119.08615	1.2
121.10152	1.4
121.16041	0.4
123.04205	0.7
125.00041	1.0
127.03920	2.4
127.11142	0.4
129.05502	2.6
131.08549	0.6
133.10156	0.9
135.11674	1.0
139.03619	0.4
145.04984	1.1
145.10143	1.1
147.11653	0.5
149.13240	0.8
157.04739	0.5
157.08588	0.5
159.11719	0.6
181.04749	0.9
184.03467	1.0
184.07318	4.9
185.04207	8.0
185.07727	0.5
199.05775	0.6
201.03743	2.6
203.05345	1.1
211.13509	0.5
241.06870	1.0
243.08409	4.7
251.12851	0.4
259.08099	0.8
267.09122	0.6
281.68686	0.4
301.08911	16.8
313.09152	0.5
315.10489	3.9
327.10510	1.0
335.25870	1.2
337.27646	0.5
341.12146	1.1
343.13681	1.0
355.13666	1.8
357.15225	1.7
369.15228	1.4
371.16861	1.2
373.11041	7.0
383.16904	1.4
385.18317	10.0
387.12723	1.6
399.25131	1.3
400.31366	0.4
413.26794	0.8
415.15784	1.6
423.20001	0.5
429.17337	3.3
443.19083	0.5
455.19162	0.8
457.20346	1.5
467.19028	0.7
469.20514	3.1
470.20996	0.6
471.21838	0.8
483.22217	0.9
483.34341	3.2
485.19724	1.1
495.21945	1.1
497.23267	0.5
509.23950	2.4
510.24100	0.6
513.26459	0.7
519.29285	13.3
520.29645	1.0
523.24921	1.0
535.28418	1.5
549.26862	1.2
563.28485	0.5
577.30023	0.8
578.30579	6.9
579.31329	1.0
591.31384	5.9
605.32642	1.7
605.41638	0.4
617.00250	0.4
619.34290	2.0
633.35864	1.6
647.36884	0.5
651.33124	0.8
661.39142	4.1
662.39832	5.3
675.40344	0.7
679.40161	1.7
691.40179	0.4
701.43280	0.5
703.40198	1.1
717.42194	0.8
745.41193	3.5
746.41382	1.8
746.53235	0.6
761.39063	0.5
763.42004	100.0
764.42151	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	763.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05508	1.4
57.03433	1.7
57.40807	0.3
59.77378	0.4
60.01295	0.4
60.08167	0.4
61.02925	4.1
67.05499	3.6
69.03424	2.9
69.07082	1.0
71.05009	0.4
73.02911	3.6
79.05489	2.5
80.02106	0.5
81.03435	2.3
81.07067	3.8
81.97469	0.4
83.01113	0.4
83.04987	0.5
83.08626	0.9
84.01897	0.4
85.02910	4.8
86.09702	2.1
91.03965	4.0
91.05482	2.1
93.07057	3.0
95.01122	0.8
95.08613	2.6
96.01866	0.5
97.02900	4.3
99.04480	1.2
101.02396	1.5
103.03979	0.7
105.07072	1.6
107.08586	1.8
109.02898	0.9
109.10170	1.4
115.04009	0.6
117.07011	0.4
119.08591	1.2
121.10151	1.4
123.04231	0.7
125.00025	1.5
127.03942	1.9
129.05478	1.4
129.90822	0.5
131.08621	1.0
133.10150	0.7
135.11732	1.2
145.10080	0.7
147.11705	0.5
149.13298	0.5
157.04703	0.5
159.66483	0.5
161.13463	0.4
167.66724	0.4
173.13283	0.5
181.04753	1.4
184.07365	6.9
184.08902	0.7
185.04210	5.0
185.07698	0.9
195.06396	0.6
201.03799	1.5
203.05302	1.0
241.06891	0.7
243.08382	3.6
252.10410	0.4
272.55612	0.4
275.12958	0.4
279.15732	0.5
301.08908	11.1
315.10483	3.6
317.08575	0.9
318.27591	0.5
327.10559	0.5
327.23141	0.8
329.12292	0.8
335.25833	1.4
341.11963	0.7
343.13898	1.1
355.13739	1.1
357.15289	1.3
369.15262	1.2
371.16788	1.1
373.11011	6.3
383.16922	1.1
385.18353	5.7
387.12628	1.2
415.15927	1.1
417.26102	0.5
423.20297	0.7
429.17206	2.5
430.79929	0.4
455.18832	0.5
457.20496	1.5
463.23502	0.5
467.18912	0.9
469.20425	2.8
483.22208	0.8
485.18652	0.5
495.22092	0.7
497.31024	0.4
509.23770	2.0
513.26398	0.6
519.29303	13.9
520.30151	0.6
523.25201	1.1
529.34747	0.4
549.26990	0.8
578.30627	8.2
579.31561	1.1
591.31335	5.3
593.32672	0.8
596.34924	0.6
605.33203	1.2
619.34607	1.0
620.35138	0.6
633.36005	1.5
651.33051	0.9
661.39301	3.9
662.40082	5.3
679.40210	1.9
703.39838	1.2
713.45667	0.6
717.41687	1.5
718.42499	0.6
745.41309	3.4
746.42151	1.0
763.41882	100.0
764.42151	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	763.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.03428	3.4
61.02928	7.9
67.05501	8.1
69.03423	4.8
69.07059	2.3
71.04985	0.8
73.02923	4.8
77.39861	0.7
79.05506	6.6
81.03417	3.2
81.07053	7.9
83.04998	1.1
83.08622	1.4
85.02896	8.2
86.09723	1.2
91.03943	4.2
91.05489	3.8
93.07050	5.7
94.53991	0.8
95.04963	1.8
95.08628	4.9
97.02895	7.7
97.10188	1.6
97.16415	0.9
99.04442	1.7
101.02382	2.2
105.07036	1.7
107.08578	3.0
109.02867	1.3
109.10165	3.0
117.07021	1.3
119.08569	2.3
121.10119	2.4
127.03920	2.1
131.08554	1.0
133.10132	2.1
135.11734	2.0
139.00282	0.9
145.10143	1.0
157.10176	0.8
184.07318	3.4
185.04231	2.6
243.08421	3.7
267.12051	1.4
273.36389	0.8
285.10345	0.9
301.09045	2.8
315.10437	1.9
323.25891	0.8
337.27335	1.0
373.10944	1.8
385.18103	2.0
427.19186	1.4
450.91724	1.0
467.19086	1.9
469.20599	1.5
485.19937	4.4
503.31885	1.0
519.29218	14.3
530.30170	0.9
578.30554	1.5
647.42291	1.2
661.38855	1.1
662.39508	1.1
691.40149	6.6
705.42053	8.6
717.41681	2.5
719.42865	1.9
745.41272	7.3
755.77563	0.9
763.41772	100.0
764.41785	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	763.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01895	0.6
55.05508	1.4
57.03445	2.4
58.91681	0.3
61.02931	6.7
63.20869	0.3
67.05507	5.7
69.03429	3.8
69.07078	1.5
69.51162	0.9
69.51567	1.1
70.18781	0.4
71.01352	0.6
71.04998	2.6
73.02925	4.5
73.59563	0.4
77.24957	0.5
79.05500	3.3
81.03423	2.0
81.07066	6.4
85.02908	6.4
85.06522	0.6
87.04479	0.7
91.03964	3.4
91.05482	3.3
93.07054	4.1
95.04984	0.8
95.08623	3.4
97.02904	6.0
97.06527	0.8
99.04469	0.9
101.02416	1.9
101.35356	0.4
103.03955	0.4
105.07058	1.6
107.08627	2.4
109.02911	0.8
109.10184	1.5
112.67402	0.4
115.03928	0.5
117.07030	0.6
119.08603	0.6
121.10184	1.3
123.11736	0.8
127.03940	2.4
129.05423	0.5
131.08578	1.0
133.10117	1.8
135.11714	1.3
139.63948	0.4
149.13263	0.6
151.11214	1.3
159.11778	0.7
183.13928	0.5
203.05342	0.6
212.46748	0.4
243.08405	2.3
267.15726	2.6
335.26001	0.9
371.51395	0.4
381.29572	0.4
458.93246	0.4
485.23691	5.7
519.29309	7.0
763.46033	100.0
764.46368	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	764.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05509	24.0
57.03437	15.8
57.07065	6.3
61.02945	4.7
65.03941	5.7
67.05502	100.0
67.55505	1.9
69.07063	19.8
71.05000	5.5
71.84847	1.9
79.05491	69.6
81.07053	94.7
83.04972	3.1
83.08624	12.8
85.02901	2.2
85.06557	3.2
91.03973	2.6
91.05473	33.6
93.07042	87.4
95.04982	8.8
95.08604	72.2
97.02840	2.1
97.06530	5.0
97.10168	6.1
98.22658	5.7
99.08085	5.5
105.04544	3.3
105.07024	32.1
107.08594	37.8
109.06532	2.0
109.10155	39.6
110.14196	1.6
111.08079	4.5
113.09664	2.2
117.07021	14.0
119.08575	29.8
121.10144	47.8
121.10995	3.4
123.08057	3.5
123.11705	13.8
125.09608	2.1
131.08554	22.4
133.10129	32.3
135.10628	3.0
135.11682	43.1
137.13254	3.5
139.11131	2.4
143.08618	2.4
145.10095	18.8
147.11676	25.2
149.13249	15.6
157.10194	5.1
159.11682	20.4
161.13234	9.1
163.14783	4.9
171.11676	6.7
173.13289	12.5
175.14891	4.5
177.12657	1.9
177.16385	2.3
183.11679	1.8
187.14836	7.2
189.16345	3.5
191.14383	2.2
199.14896	3.2
201.16354	2.4
203.18018	2.5
205.19572	3.3
213.16411	8.9
215.17920	24.1
217.19556	3.7
231.17407	7.1
233.18967	16.4
235.20505	2.2
241.19351	2.9
243.21132	4.9
259.20572	5.8
261.22137	13.4
261.34695	1.8
305.21112	2.5
307.22672	94.6
308.23132	2.7
309.24207	5.8
317.24655	2.6
333.24167	6.5
335.25784	83.6
337.27396	7.9
355.65970	1.9
475.39032	2.8
493.40527	3.8
511.41046	2.5
567.44128	21.3
568.44525	3.2
585.45111	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.03454	2.6
61.02926	5.1
67.05515	4.3
69.03437	2.9
69.07079	1.4
71.01323	0.9
71.05003	2.3
73.02926	3.6
79.05499	3.1
81.03423	4.3
81.07068	4.8
85.02913	4.5
91.03968	2.8
91.05468	4.4
93.07041	4.6
95.08604	6.4
97.02911	4.3
101.02399	2.3
103.03954	1.0
105.07079	1.0
107.08640	1.9
109.02789	1.0
109.10133	1.2
119.08606	2.2
121.10177	1.8
123.08099	2.0
127.03912	1.3
131.08542	1.4
167.10780	0.8
205.42200	0.8
239.12875	1.0
243.08351	3.9
247.97746	0.9
255.12215	1.1
301.09076	1.5
333.20450	1.7
337.12680	0.8
413.17618	1.0
437.18207	1.4
457.20493	8.1
473.19867	5.4
535.29132	1.3
551.28247	2.2
681.30951	5.9
767.41821	100.0
768.42206	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	767.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	4.9
62.14651	0.8
67.05520	3.3
69.03441	2.9
69.07074	1.4
69.70887	1.6
69.71272	1.6
71.04997	1.0
73.02929	2.7
79.05483	3.7
79.57676	0.7
81.03424	2.5
81.07082	3.1
85.02925	3.3
91.03984	2.4
91.05482	3.4
91.74953	0.7
93.07059	3.9
95.05008	1.3
95.08624	2.4
97.02904	4.0
97.06525	0.8
98.23479	0.8
101.02404	1.3
105.07062	2.9
107.08613	1.4
109.10181	1.1
117.70326	0.8
119.08626	2.0
121.10222	1.6
129.07036	1.3
131.08607	1.5
133.10197	2.6
143.08653	0.8
145.10184	1.0
147.11737	1.8
149.09647	1.4
157.10172	1.7
175.11406	0.9
176.05583	0.7
222.16492	0.7
243.08575	2.9
282.21033	0.8
283.15146	5.2
289.18188	1.0
301.09293	0.9
485.23959	1.2
501.23111	7.3
507.25647	7.9
573.25385	2.5
767.41949	100.0
768.42358	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	768.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.9
55.05519	19.9
57.03444	4.7
59.04995	0.8
61.02951	0.8
65.03938	2.7
67.05511	33.8
69.03441	5.7
69.06705	1.4
69.07074	20.4
71.05007	1.6
72.73250	0.6
77.03913	1.0
79.05502	43.8
81.03429	5.8
81.07069	30.5
81.07557	1.1
83.04988	9.1
83.08627	8.0
85.02917	1.3
85.06554	1.3
86.09731	1.0
89.27563	0.7
91.05489	36.8
92.05822	0.9
93.07052	37.4
95.01379	0.9
95.04977	16.8
95.08617	17.1
95.49249	0.7
97.02916	6.6
97.06532	5.6
97.10187	9.2
105.04526	3.2
105.07040	25.7
107.04957	8.0
107.05610	0.9
107.08614	13.9
109.06535	4.6
109.10152	5.6
111.04453	0.8
111.08105	2.2
115.05473	0.9
116.51086	0.7
117.07033	8.9
119.04949	1.2
119.08591	20.4
119.09422	1.3
121.06503	5.3
121.10166	3.8
121.33372	0.8
123.08076	6.0
125.09653	5.4
128.06277	1.2
129.07025	10.8
131.08597	6.1
133.06540	2.9
133.10133	8.8
135.08043	2.2
135.11732	2.7
137.09634	1.6
141.06982	1.1
143.08586	6.3
145.06506	1.2
145.10146	7.9
145.11249	0.9
147.08072	5.1
147.11699	17.1
147.12862	0.9
149.09618	1.9
149.13266	1.5
151.11301	1.0
157.10158	1.3
159.08084	0.9
159.11736	2.6
161.09628	3.6
161.13292	6.4
163.11195	1.8
169.12296	0.7
171.11690	11.6
173.11807	0.8
173.13231	0.8
175.11235	1.7
177.12805	1.4
183.11653	1.1
185.09702	0.8
185.13319	0.8
189.11240	3.1
189.12817	4.8
195.13747	1.1
205.12387	1.1
207.13834	11.0
219.92976	0.7
223.13335	12.3
227.12758	3.8
249.14938	1.8
267.16153	0.8
273.18527	10.3
275.20139	2.0
279.15958	1.6
281.14963	0.6
281.17502	48.7
291.19568	63.7
292.19858	1.4
297.17212	1.4
347.22211	1.8
365.23273	25.5
451.26816	1.7
473.29111	2.8
491.30423	1.1
513.43439	0.7
553.35284	4.1
571.36340	100.0
572.36182	3.6
589.37585	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	770.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72511	0.4
57.03422	0.5
69.03433	3.2
70.03496	1.2
79.01850	2.0
81.03415	8.4
83.75616	0.5
84.28957	0.6
85.02912	3.1
92.33680	0.6
97.02901	7.3
99.04445	1.3
107.01311	1.2
109.02869	7.0
117.10815	0.5
125.02370	2.5
127.03915	7.5
143.03403	3.5
145.02922	0.6
145.04968	1.7
153.01828	100.0
154.02156	1.0
159.04436	0.8
163.03920	2.5
171.02873	16.9
177.01807	1.0
181.04948	2.2
187.03966	0.5
191.03406	0.9
193.04988	1.3
195.02902	1.0
197.04539	1.0
205.04933	1.0
209.04469	1.9
216.06212	0.6
219.06450	0.8
221.04456	1.0
221.28108	0.5
233.04460	1.3
237.03957	0.6
247.05986	1.4
251.05539	1.5
263.05487	1.8
275.05551	0.9
279.04996	0.5
293.06546	1.5
297.06070	14.0
311.07510	1.3
315.07095	34.3
316.07407	0.7
329.08649	6.2
588.16595	0.7
627.74506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
55.05515	18.7
57.03441	8.6
59.04980	1.6
59.24913	1.7
66.19794	1.9
67.05511	27.5
67.57105	1.8
69.03419	5.2
69.07068	7.5
71.04994	6.7
79.05502	25.6
81.03426	67.3
81.07067	25.4
83.04980	6.9
83.08187	2.4
83.08632	24.1
85.02902	7.8
85.06544	2.4
91.05488	23.6
93.07063	21.1
95.04974	29.9
95.08614	10.8
97.02901	4.0
97.06554	3.6
97.10197	14.3
105.04536	2.2
105.07052	19.8
107.04956	14.3
107.08617	10.7
109.06535	8.0
109.10149	7.1
111.04439	3.2
111.08089	6.1
117.07019	6.4
119.08600	18.5
121.06529	10.3
121.10138	9.9
123.04426	1.8
123.08079	4.8
123.11625	2.5
125.09644	14.6
129.07013	7.5
131.04900	2.1
131.08551	16.0
133.06499	5.8
133.10120	8.6
135.08101	4.6
135.11714	4.9
137.09592	1.8
141.06955	2.4
142.07738	2.2
143.08557	3.4
145.06490	5.1
145.10124	4.8
147.08052	5.2
147.11707	8.9
149.09650	4.9
151.11217	1.8
157.10149	9.0
159.08052	2.5
161.05977	1.9
161.09636	3.6
163.11182	5.7
165.12637	2.1
171.08067	2.1
173.09689	2.5
175.11208	7.7
185.09703	2.0
189.11198	5.9
193.12285	23.2
199.11131	1.8
211.13290	9.6
213.12724	2.2
217.12329	2.0
219.13773	2.8
225.11101	2.7
227.12790	7.3
231.13843	3.9
233.15355	6.5
235.13257	2.3
249.15004	2.7
267.15924	40.5
273.14880	5.0
282.14661	2.3
285.17020	3.6
301.14484	1.7
322.94589	1.8
339.23212	3.2
349.21634	4.0
354.71768	2.0
367.22638	12.4
378.29996	1.8
385.23773	15.4
392.16995	1.7
403.24738	4.9
429.21042	2.7
433.25641	3.9
441.20615	2.2
441.25995	9.6
459.27475	88.5
460.27545	4.6
477.28540	100.0
478.28641	4.1
491.30261	15.2
501.28445	3.1
509.30920	13.5
532.19141	1.7
567.29767	2.5
585.30542	7.1
603.31451	5.5
621.32971	8.4
770.37885	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	770.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.2
55.05514	35.5
55.85599	2.7
57.03434	19.1
57.07082	3.2
63.06695	2.7
65.03943	5.5
67.05505	78.3
69.03428	9.5
69.07070	27.9
69.79003	9.4
71.04988	3.9
77.03905	3.8
78.60933	3.4
79.05491	100.0
81.03420	22.5
81.07054	84.8
81.07503	5.3
83.04985	18.8
83.08626	13.8
85.02917	4.9
85.06523	7.5
91.05474	90.4
93.07043	88.9
95.04970	25.7
95.08601	51.9
95.09145	5.1
97.02903	8.1
97.06513	18.9
97.10161	9.9
99.08112	4.5
105.04497	4.9
105.07030	71.7
107.04954	20.7
107.08591	39.3
109.02877	4.6
109.06522	10.4
109.10153	11.9
109.61354	2.7
111.08099	7.2
113.06036	3.5
115.05448	4.9
117.07017	34.1
119.08585	57.7
121.06483	7.9
121.10165	19.8
123.08058	10.0
125.09630	8.2
129.06987	24.1
130.07787	3.0
131.08566	29.5
133.10130	30.5
135.08057	7.8
135.11691	15.6
141.06990	4.5
143.08580	15.3
145.10123	35.6
147.08057	5.8
147.11685	44.2
149.09625	8.9
149.13304	6.2
152.63994	3.0
155.08504	5.3
156.09360	3.3
157.10103	9.9
159.11633	19.7
161.09641	5.3
161.13252	14.9
163.11165	16.6
169.10115	8.2
171.11676	26.7
173.13266	9.1
175.11212	5.8
179.14348	3.4
183.11630	4.0
185.13287	10.0
189.12776	9.7
193.12430	3.1
195.13860	2.7
197.13318	3.0
203.14366	3.1
203.26270	2.7
207.13799	20.4
219.17328	3.5
227.12816	17.0
232.57794	3.2
239.18001	4.3
253.14267	4.8
257.19009	20.1
259.20450	7.4
267.15909	10.3
269.17462	8.0
273.18607	4.5
275.20041	37.6
281.17459	68.7
283.15387	23.1
291.19479	21.0
331.22681	5.2
333.24319	8.5
349.23743	28.4
365.23212	9.0
367.25256	3.0
377.93784	3.0
378.08936	2.7
445.30441	3.6
449.44107	3.0
461.28845	19.7
468.79999	3.4
475.30566	39.6
537.35730	8.4
541.35120	30.9
555.36938	61.4
573.33923	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	770.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.4
55.05513	40.7
57.03446	18.5
65.03945	7.4
66.08199	4.1
67.05167	5.9
67.05507	100.0
69.03421	9.4
69.07065	31.1
71.04993	8.9
78.07375	3.1
79.05495	81.5
81.03422	17.2
81.07059	97.1
83.04984	12.3
83.08633	22.4
85.02891	6.9
86.09708	4.6
91.05478	91.2
93.07045	85.2
95.04971	32.2
95.08608	50.5
97.02888	5.0
97.06528	10.5
97.10156	13.7
101.03889	3.5
103.05496	4.1
105.07033	77.6
107.04947	8.1
107.08614	36.4
109.06493	17.8
109.10175	35.5
111.08083	3.9
117.07015	33.2
119.08590	63.4
121.06518	9.5
121.10149	28.1
123.08025	7.5
123.11697	6.3
125.09638	11.0
125.55623	3.8
129.06978	22.2
131.08566	41.8
133.06572	4.5
133.10143	48.8
135.08051	7.0
135.11708	17.2
137.09601	4.1
137.13277	3.4
141.06973	8.4
143.08562	26.0
145.06500	4.7
145.10130	27.6
147.11691	40.9
149.09647	12.3
149.13232	5.2
155.08565	10.0
155.10544	3.8
157.10118	12.3
159.11650	27.5
161.09590	7.1
161.13254	18.9
163.11145	7.3
169.10123	11.5
171.11722	24.1
173.11868	5.4
173.13290	13.3
175.14859	7.5
177.12749	8.4
181.10066	4.7
183.11670	10.1
184.07388	5.4
185.13283	12.2
189.11205	6.4
193.12395	3.9
197.13243	6.9
199.14793	5.8
207.13855	7.0
223.13231	25.4
229.14374	26.7
241.19516	12.9
259.20529	37.4
275.20020	31.2
281.17386	34.8
282.17712	3.7
297.16931	26.2
309.21869	4.8
327.23093	10.6
333.24246	36.6
341.97803	4.1
349.23615	15.0
359.90036	4.2
367.24893	7.0
401.26758	5.1
434.82568	4.4
445.31061	6.6
463.31766	10.3
475.30679	6.4
475.61581	3.9
481.33371	4.5
487.33960	5.5
527.37213	9.1
537.35846	17.8
555.36780	96.5
573.37695	43.2
611.42786	4.9
724.43188	6.1
749.09686	4.8
750.01190	3.8
770.39771	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	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.6
55.05509	24.7
57.03440	11.9
57.07075	2.0
61.02932	1.6
65.03942	4.5
66.53736	1.2
67.05505	68.1
69.03426	5.0
69.07068	30.1
69.44859	1.2
69.77547	4.1
71.05000	4.7
73.06549	2.6
77.03920	3.3
79.05491	86.1
81.03421	14.9
81.07056	74.9
83.04982	17.6
83.08621	14.4
85.02894	3.3
85.06548	6.0
88.68466	1.3
91.05479	70.1
93.07043	87.9
94.68053	1.2
95.04970	24.7
95.08600	36.6
97.02895	2.2
97.06533	14.7
97.10166	6.8
98.22781	2.3
99.04468	1.6
99.08099	1.2
100.82216	1.2
103.05470	2.8
105.04518	4.2
105.07028	55.1
107.04950	14.9
107.08592	38.1
109.02926	1.7
109.06504	9.7
109.10127	11.3
111.08070	3.7
115.05473	2.7
117.07021	19.5
119.08581	34.8
119.09426	2.2
121.06513	5.4
121.10155	14.3
123.08091	6.1
123.11697	1.8
125.09670	5.9
127.03896	2.2
127.07518	1.4
128.06206	3.1
129.05531	1.9
129.06999	18.9
130.07777	1.6
131.08562	14.9
133.10109	20.6
135.08061	3.4
135.11690	14.6
137.09621	3.3
141.06990	2.1
142.07790	1.4
143.08557	9.0
145.06546	2.0
145.10115	20.5
147.08037	2.0
147.11681	35.8
149.09615	13.0
149.12254	1.2
149.13248	7.7
151.11230	2.4
155.08557	1.5
157.10143	3.6
159.11664	12.6
161.09613	4.3
161.13228	11.7
163.11163	9.4
169.10158	3.9
171.10222	1.2
171.11673	24.5
173.04507	2.0
173.13290	4.6
177.12672	1.9
179.14304	2.6
181.12173	1.3
183.11752	1.3
187.14880	2.0
189.11299	2.0
189.12723	9.7
195.13828	3.1
197.13214	2.0
207.13788	23.6
225.14789	1.4
227.12798	11.6
239.17943	3.0
253.14426	1.5
255.15904	5.9
257.19000	8.0
259.20374	1.5
267.16086	1.4
269.17468	13.8
275.20044	30.6
275.22919	2.1
279.15878	2.3
281.17480	62.2
293.20972	2.5
331.22525	2.0
333.47510	1.2
349.23715	23.4
367.24661	2.1
377.23340	2.0
395.20938	1.4
413.21906	1.3
435.27313	3.4
451.26755	3.3
459.31055	1.8
461.28967	27.7
475.30563	100.0
476.30927	4.1
491.30569	1.7
515.33545	1.4
527.36926	1.5
537.35437	3.6
555.36835	52.2
556.37201	2.8
573.38208	7.5
619.34717	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14204	0.8
55.01873	6.3
55.05256	1.5
55.05510	27.6
57.03176	1.1
57.03436	11.3
57.07061	2.1
59.04980	0.8
61.02921	3.4
65.03930	5.1
67.05504	82.1
68.05846	1.2
69.03442	5.8
69.07066	24.9
71.04996	5.9
71.08638	1.7
73.02927	1.5
73.06551	2.8
77.03918	2.3
79.05490	100.0
81.02959	1.3
81.03415	15.1
81.07055	80.6
82.07401	2.0
83.04982	18.4
83.08620	11.0
85.02906	5.6
85.06543	4.8
87.04427	1.2
91.05479	95.0
92.05801	1.7
92.75853	1.1
93.07042	96.1
94.07388	1.8
95.04965	32.9
95.08604	42.8
96.08950	1.0
97.02871	4.2
97.06530	14.5
97.10149	6.0
98.22589	2.1
99.04424	1.3
99.08073	2.8
103.05462	2.2
105.04534	6.7
105.07027	71.9
106.07335	1.3
107.04950	12.3
107.08585	35.6
109.02866	2.3
109.06519	7.7
109.10147	11.1
111.08053	4.4
115.05450	2.5
117.07019	23.0
119.08577	50.8
120.08950	1.3
121.06505	6.5
121.10146	14.9
123.08073	6.9
123.11705	1.9
125.09674	2.2
127.03936	2.7
128.06206	6.7
129.05479	2.2
129.07005	21.6
130.07771	1.8
131.08568	21.8
133.06470	2.0
133.10123	35.0
134.10423	1.4
135.08057	3.7
135.11708	10.7
137.09595	2.2
139.07471	1.1
139.11308	0.9
141.06944	3.1
142.07732	1.8
143.08557	14.3
145.10109	24.9
147.08015	4.4
147.11687	50.7
148.12000	1.5
149.09636	8.1
149.13261	10.7
151.11182	3.3
153.09160	1.0
155.08569	2.8
156.09329	1.9
157.10095	6.1
159.11671	15.3
161.09602	5.4
161.13258	22.0
163.11192	5.8
163.14774	2.0
169.10161	3.3
171.11678	32.1
172.12016	1.0
173.13252	6.2
175.11206	2.3
175.14835	3.8
177.12778	3.9
179.14328	3.2
183.11658	2.8
184.07298	1.4
185.13281	4.3
187.11238	1.4
187.14778	2.2
189.12738	11.6
191.14288	1.2
195.11841	1.1
195.13831	2.9
197.13319	2.2
199.14806	3.5
203.14432	1.0
205.12225	1.2
207.13794	28.5
208.14182	1.8
209.13197	1.6
213.16449	1.4
217.16063	1.2
225.14789	1.7
227.12888	1.7
229.19376	1.4
231.17421	1.2
231.21115	1.2
233.15306	1.0
239.17946	1.8
241.19524	10.2
243.21138	1.0
253.14278	2.5
257.19067	6.7
259.17825	1.6
259.20566	25.2
269.17468	12.6
273.18631	1.2
275.20047	12.4
279.15936	8.9
281.17456	59.3
282.17914	2.3
291.19565	2.5
293.17929	1.2
293.21051	3.9
313.21591	1.1
315.23096	2.5
331.22791	2.0
333.24283	15.1
349.23825	7.7
380.28995	0.9
383.32126	0.9
400.70087	0.9
447.32120	3.2
457.29517	1.4
465.33728	1.9
475.30530	42.4
476.30701	2.7
499.49387	0.9
521.36176	1.8
539.37231	26.2
540.37347	1.5
555.36743	8.1
557.38293	10.6
572.36774	1.1
573.37708	6.1
680.34180	1.3
794.43988	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.7
55.05511	16.3
57.03436	8.6
61.02922	1.3
65.03932	3.5
67.05503	55.0
69.03419	3.6
69.07068	17.8
71.01359	1.0
71.04988	4.9
73.06546	1.3
73.85662	0.7
73.86145	0.7
77.03925	1.9
79.05491	58.4
81.03418	8.2
81.07053	55.6
83.04974	13.0
83.08624	10.7
85.02906	2.2
85.06554	3.6
91.05478	49.1
93.07042	59.6
95.04964	16.2
95.08605	24.2
97.02891	2.9
97.06530	11.2
97.10193	4.3
98.94627	0.6
99.04457	0.9
99.08112	1.5
102.81188	0.8
103.05466	0.9
105.04516	3.4
105.07026	33.1
105.07739	1.7
107.04956	6.9
107.08586	24.9
109.06530	6.1
109.10144	7.2
111.08062	3.7
115.05473	0.8
117.07008	13.2
119.08579	24.0
121.06497	4.4
121.10149	8.8
123.08084	4.7
123.11742	1.8
125.09634	0.9
127.03920	0.9
127.07539	1.0
128.06221	2.2
129.06998	10.0
130.07776	1.2
131.08563	9.6
133.06500	1.4
133.10109	15.3
135.08081	3.3
135.11673	9.2
137.09599	1.5
143.08553	7.8
145.10112	11.5
147.08063	2.6
147.11684	22.9
149.09615	5.8
149.13246	6.4
151.11148	1.8
155.08556	1.8
157.10098	1.0
159.11702	7.2
161.09637	2.9
161.13232	7.5
163.11192	5.3
169.10132	1.5
171.11678	16.1
173.04427	1.7
173.13264	2.1
177.12770	2.5
179.14328	1.4
183.11694	1.0
189.12740	5.7
195.13795	2.4
199.63480	0.8
207.13829	16.0
209.18141	0.8
225.14909	1.2
227.12799	1.6
239.17879	1.4
247.20557	1.2
253.14308	5.2
255.15860	5.4
257.18988	4.9
267.16061	1.1
269.17468	14.2
275.20081	15.4
281.17471	45.0
282.17944	1.0
283.15378	1.9
291.19626	1.0
293.21082	1.4
331.22491	0.9
349.23746	8.3
367.24741	1.6
398.62650	0.9
413.21786	1.0
435.27628	1.0
457.29214	0.9
461.22754	1.2
461.29037	21.8
462.28687	0.9
475.30533	100.0
476.30991	4.5
479.26321	1.4
515.33417	1.5
554.49182	0.9
555.36896	23.2
556.36981	1.9
573.38269	5.6
619.34528	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	1.0
55.02020	0.6
55.05392	6.8
55.05693	3.3
57.03318	2.7
57.03621	1.0
57.06977	0.9
57.07224	0.6
59.52821	0.5
61.02797	8.8
61.03150	3.5
61.06609	0.4
65.03833	0.9
65.04142	0.4
67.05370	13.4
67.05778	4.0
68.01035	0.4
69.03296	4.9
69.03698	1.3
69.06930	5.9
69.07341	1.6
71.01259	0.8
71.04861	1.2
73.02771	5.7
73.03226	1.4
76.09740	0.5
76.10141	0.5
79.05343	11.1
79.05862	2.5
81.03270	2.6
81.06904	14.6
81.07439	3.0
83.04869	1.0
83.08468	4.3
85.02749	9.1
85.03325	1.6
85.06428	0.7
87.04341	0.6
91.03796	6.0
91.04418	0.9
91.05320	10.2
91.05952	1.7
93.06882	10.9
93.07520	1.6
95.04800	2.3
95.08438	13.3
95.09111	1.8
97.02725	8.5
97.03408	1.1
97.06364	1.5
97.10012	2.2
98.23502	1.1
99.04316	0.9
101.02213	1.8
104.58389	0.4
105.06856	9.6
105.07623	1.2
107.04807	0.5
107.08417	7.7
109.02697	0.7
109.06380	1.2
109.09984	6.3
109.10783	0.8
111.07909	1.6
115.03799	0.7
115.05305	0.9
117.06831	6.2
117.07710	0.5
119.08401	9.5
119.09306	0.9
121.06392	0.6
121.09959	5.6
121.10881	0.5
123.07845	1.4
123.11531	1.3
123.12278	0.5
125.09518	1.0
127.03715	2.4
127.34089	0.5
128.06021	2.0
129.06812	7.2
131.08377	8.3
131.09445	0.8
133.09935	6.8
135.11510	3.1
136.84735	0.5
137.09465	0.8
139.07394	0.5
141.06958	3.0
142.07564	1.7
143.08556	9.5
145.10117	8.8
147.11482	4.3
149.09450	0.9
149.13066	1.9
153.06870	1.0
153.56242	0.4
154.07571	1.4
155.08559	7.4
156.09158	0.9
157.10135	8.7
159.11702	6.2
161.13048	3.4
163.10938	0.5
163.14638	1.0
165.06798	0.9
166.07568	0.6
167.08563	3.7
168.09190	0.9
169.10121	8.7
170.10721	0.6
171.11687	9.1
173.13301	4.4
175.14607	1.7
179.08344	2.0
180.09232	0.8
181.10120	5.7
182.10794	0.9
183.11687	9.7
184.12012	0.6
185.13268	6.5
187.14825	2.7
189.16338	0.5
191.08514	0.5
193.09955	1.8
194.10690	0.8
195.11702	5.2
196.12242	0.8
197.09483	0.5
197.13231	7.0
198.13696	0.5
199.14784	4.7
201.16187	1.4
205.09862	0.6
207.11469	2.1
209.13269	6.0
211.14786	5.5
213.14386	0.6
213.16455	2.7
215.17921	0.5
218.10825	0.5
219.11508	0.8
221.13293	2.2
223.14778	3.9
225.16360	3.4
227.15936	0.7
227.17805	2.1
233.13118	0.8
235.14629	1.9
237.16187	2.0
239.17958	2.7
241.17676	0.6
241.19733	0.5
247.14653	0.8
249.16173	1.4
251.17734	1.7
253.19499	0.8
259.20410	0.6
261.16205	1.1
263.17834	0.8
265.19247	1.3
267.20956	0.5
269.18826	0.8
271.20477	0.5
283.20233	0.7
297.21936	0.7
299.19934	0.6
309.22177	0.7
311.23495	0.8
319.23999	0.5
321.22000	1.0
323.23526	1.3
335.23181	0.5
337.25055	1.4
339.26645	0.6
341.24478	0.6
349.24994	0.9
351.26428	1.5
353.24371	0.6
363.26627	0.7
365.24310	0.6
365.28320	1.0
369.27902	0.7
377.28369	0.7
379.30017	0.9
391.30011	0.6
393.31369	0.7
401.28220	0.6
421.30447	0.8
423.32581	0.5
425.30533	0.7
429.31189	0.7
433.30402	0.7
435.32806	0.6
447.32800	1.1
473.32449	0.5
487.34064	0.7
501.35779	1.3
513.35999	0.9
516.70117	0.5
517.40442	5.5
521.36145	0.7
525.35352	0.6
527.37561	1.1
535.41339	2.6
539.37537	2.3
540.37878	0.9
541.38757	1.3
553.40918	0.7
567.40460	0.6
573.43201	1.2
591.44073	6.0
592.44989	0.7
607.43335	1.8
609.45123	100.0
610.45599	6.1
611.46454	1.0
621.44934	1.5
633.45129	0.6
635.08325	0.6
651.46234	0.9
675.45721	0.6
735.48431	1.5
753.49396	1.4
771.50488	22.1
772.50793	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	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
55.05517	12.3
56.46091	1.0
57.03439	6.2
57.07070	1.7
61.02928	14.4
65.03925	2.0
67.05507	28.3
69.03426	9.1
69.07075	12.5
69.34256	5.6
71.01348	1.4
71.05009	2.4
73.02921	8.5
79.05496	20.5
81.03412	5.0
81.07061	24.4
83.04986	1.7
83.08637	6.7
85.02911	12.5
85.06538	2.0
86.09744	1.6
91.03969	5.8
91.05482	16.8
93.07053	17.9
95.04946	4.5
95.08615	18.7
97.02903	13.3
97.06538	1.5
97.10165	3.5
99.04432	1.6
101.02396	2.3
105.04466	1.4
105.07034	16.0
107.04968	2.6
107.08585	11.0
109.02852	1.2
109.06495	2.5
109.10165	9.4
111.08084	1.4
115.05428	1.8
117.07007	9.6
119.08601	14.0
121.10151	9.1
123.08025	1.1
123.11745	2.1
125.00047	1.4
125.09650	1.3
127.03951	2.5
128.06221	2.4
129.07031	9.8
131.08577	15.9
133.10130	11.2
134.10492	1.1
135.11664	3.6
141.06976	4.3
142.07802	2.2
143.08557	15.4
145.04994	1.2
145.10135	13.1
147.11687	6.7
147.12695	1.3
149.09576	1.4
149.13258	1.7
155.08548	11.5
156.09265	2.0
157.10133	14.1
159.11731	9.8
161.13301	3.6
163.11105	1.3
165.06961	2.0
167.08621	6.1
168.09375	2.7
169.10152	12.4
170.10919	1.7
171.11685	10.6
173.13260	4.8
175.14781	1.8
177.12695	1.5
179.08569	2.1
181.10136	9.2
182.10919	1.4
183.11705	12.6
184.07310	4.8
185.13272	8.9
187.14754	2.3
193.10181	3.0
195.11684	7.8
197.13240	8.9
199.14824	6.5
201.16420	2.1
205.10175	1.4
207.11691	3.6
209.13219	8.5
211.14778	5.8
213.16327	3.0
219.11792	1.6
221.13268	3.5
223.14798	4.3
225.16342	3.9
227.18115	1.5
235.14848	2.3
237.16431	3.6
239.17924	2.9
247.14851	1.1
251.17943	2.8
253.19614	1.9
265.19559	1.6
309.21780	1.2
311.23413	1.5
313.21405	1.2
315.14352	2.1
321.22137	1.6
323.23547	1.4
325.21432	1.3
329.89423	1.2
335.26315	2.0
337.25378	1.3
365.28250	1.5
379.25922	1.5
433.31046	1.2
461.33600	1.3
489.35065	1.3
513.35797	1.5
517.40570	8.0
525.35187	1.3
535.41388	3.5
539.37354	1.6
591.43854	7.5
607.42896	3.5
609.45148	100.0
610.45703	8.7
612.46088	1.5
621.45050	1.5
651.45728	2.7
735.47455	3.3
753.49341	2.8
771.50574	28.0
772.50067	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	772.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.8
55.05258	2.3
55.05515	36.5
57.03442	22.8
59.05003	27.4
61.02916	1.8
65.03933	3.5
67.05508	86.4
69.03429	5.6
69.07061	12.6
71.01358	2.8
71.04997	20.2
77.03922	1.8
79.05497	54.7
81.03423	100.0
81.07059	51.3
83.04989	18.9
83.08130	1.5
83.08622	32.0
85.02940	6.4
85.06562	7.0
87.04472	35.6
91.05486	48.3
93.07050	37.3
95.04977	42.1
95.05493	1.0
95.08608	19.8
97.02884	8.3
97.06541	11.5
97.10172	19.9
99.04469	10.2
99.08108	3.5
101.06006	1.3
103.05442	2.1
104.96050	1.4
105.04510	1.3
105.07036	25.5
107.04974	21.0
107.08599	21.4
109.02863	3.5
109.06557	6.7
109.10160	47.0
110.10516	1.7
111.04456	11.5
111.08087	14.5
113.06009	2.6
115.03976	1.6
115.05481	3.8
117.07023	11.4
119.04928	2.2
119.08580	29.5
121.02826	2.5
121.06521	9.1
121.10152	24.9
123.04424	5.1
123.08068	4.9
123.11719	4.1
125.05949	3.1
125.09647	13.5
128.06238	1.7
129.06998	15.6
131.04968	1.7
131.08563	22.2
133.06505	9.3
133.10133	15.7
135.04417	7.4
135.08029	7.2
135.11694	12.7
137.06026	3.5
137.09607	4.2
139.11258	1.5
141.07027	2.8
142.07727	2.9
143.08571	3.9
145.06491	3.6
145.10139	10.8
147.04401	3.5
147.08081	8.1
147.11670	18.1
149.05965	2.9
149.09615	21.8
149.13351	1.9
153.09140	6.1
153.12761	10.6
155.08601	3.6
155.10689	2.9
157.10121	17.3
159.08043	1.7
159.11699	2.9
161.05963	4.0
161.09651	1.9
163.11185	17.3
165.12737	3.5
167.10678	4.0
169.10153	1.6
171.10210	1.9
171.11659	3.0
173.05960	2.0
173.09647	4.7
173.11751	8.4
173.13165	2.9
175.07443	1.3
175.11185	20.1
177.12845	1.4
181.12218	7.7
185.09633	1.6
185.13379	2.1
189.11208	13.4
189.12662	2.1
191.10710	7.2
193.12238	58.2
197.15334	2.6
199.11557	2.5
199.13229	8.7
201.09145	1.6
201.12842	3.0
203.14352	4.6
205.12315	2.8
207.13824	2.3
209.11633	11.6
209.13269	1.5
211.11223	2.7
211.13289	51.6
213.12851	1.9
217.12285	3.0
217.14247	1.9
219.13773	1.4
221.11433	1.5
221.15402	1.9
223.13249	2.5
225.14873	13.7
227.12776	22.2
229.12297	2.3
229.14354	38.1
229.16650	1.9
230.14716	1.4
231.13843	5.6
235.13306	4.7
241.14403	2.9
243.13786	1.9
247.13297	9.7
249.14870	17.4
251.12746	2.0
257.11502	2.0
259.13254	2.7
259.15652	1.6
263.16446	3.5
267.09143	2.9
267.15918	68.8
273.14661	3.0
275.12805	1.8
277.14398	2.5
283.08765	2.3
283.15366	16.8
285.10107	2.3
288.12247	1.3
289.14224	2.7
301.14322	2.3
303.15561	1.5
309.16986	3.7
315.18069	4.5
321.17029	2.7
333.19144	1.8
337.21692	4.0
347.20129	1.6
350.37750	1.5
355.22711	10.3
365.21121	10.8
373.23721	4.4
383.22162	27.1
396.37280	1.3
397.23721	2.4
401.23248	23.4
409.26019	1.9
415.24753	5.1
419.24280	3.1
421.25888	28.1
433.25876	7.9
447.27335	4.7
453.28351	3.7
457.26184	7.7
461.28784	3.0
465.28400	1.5
471.27628	1.4
475.27005	22.7
489.28189	4.4
493.27951	8.9
507.22888	2.0
507.29648	24.6
511.32651	3.7
525.30573	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.1
55.05510	18.4
57.03440	9.3
59.04994	1.5
65.03932	2.1
67.05508	39.1
69.03432	5.0
69.07074	20.7
69.36694	3.5
69.37101	2.2
71.04999	4.5
73.02914	2.0
79.05496	46.7
79.05950	2.5
81.03420	9.1
81.07058	48.6
83.04995	7.0
83.08623	14.0
85.02925	3.5
85.06577	2.5
91.05477	25.1
93.07045	57.6
95.04964	15.9
95.08607	49.7
97.02901	5.8
97.06528	15.3
97.10160	8.1
99.04490	7.2
99.08118	2.3
103.05448	1.2
105.04532	2.9
105.07030	26.0
105.27062	1.2
107.04955	13.8
107.08591	43.3
109.06522	5.5
109.10167	8.4
109.92305	1.3
111.04443	2.9
111.08089	5.3
115.05462	1.5
117.07009	17.4
119.08578	22.6
121.06519	8.1
121.10159	20.5
123.08073	3.4
123.11698	1.7
125.06035	1.8
125.09640	6.6
129.07021	3.9
130.07805	3.4
131.08556	9.9
133.10124	14.8
135.08066	5.2
135.11697	57.6
136.12025	1.6
137.09642	2.7
139.07545	2.1
141.06984	1.6
143.08601	3.8
145.06493	1.9
145.10127	39.5
147.11717	6.7
149.09581	8.5
149.13327	5.7
151.11189	2.6
153.12665	1.4
157.10176	4.9
159.11653	8.2
161.13229	3.6
163.11185	73.1
164.11554	2.0
164.12866	1.3
171.11742	2.4
173.04514	1.5
173.09660	1.7
173.13307	4.2
176.67497	1.4
177.12822	3.2
179.14429	1.6
181.12233	12.1
183.11699	1.3
184.07304	2.0
189.11279	4.5
191.10660	1.4
195.13914	1.4
197.13391	1.5
209.11761	3.2
227.12775	100.0
228.13071	1.9
229.19513	2.6
239.17970	1.9
253.14319	1.9
255.15919	6.5
257.19070	9.7
259.20615	2.2
267.15970	1.6
269.10818	1.8
269.17480	14.4
273.18515	1.6
275.20062	28.8
283.15408	76.8
284.15823	2.1
291.19580	3.9
293.21118	2.7
299.14948	1.8
301.16309	1.5
331.22787	2.9
349.23730	37.8
367.24850	1.5
382.85428	1.4
437.25476	3.4
453.24640	5.2
461.28833	2.4
463.26917	15.9
464.27100	1.6
477.28494	64.9
478.28976	3.6
517.31500	1.9
557.34717	58.1
558.34833	2.1
575.35645	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.3
55.05511	43.3
57.03436	18.3
57.07083	1.4
59.05000	3.1
61.02928	5.3
62.49049	1.4
65.03933	2.1
67.05503	59.9
69.03432	13.9
69.07069	43.3
69.07446	2.6
71.05007	7.1
73.02911	2.6
77.03936	2.4
79.05492	57.1
81.03418	59.7
81.07056	63.6
81.80208	1.4
83.01334	3.6
83.04977	20.4
83.05433	1.6
83.08617	33.1
84.30360	1.2
85.02896	22.3
85.06541	3.6
91.05480	54.4
91.06055	2.6
93.07041	57.1
95.04965	32.2
95.05525	2.1
95.08604	28.5
97.02894	15.6
97.03485	1.9
97.06542	12.4
97.10171	20.2
99.04457	1.9
99.08089	2.7
101.12174	1.3
103.05440	2.0
105.04469	2.1
105.07027	43.2
105.07744	2.8
107.04945	18.6
107.08588	34.9
109.02879	1.9
109.06510	9.9
109.10135	14.8
111.04451	4.0
111.08079	10.1
113.06000	2.0
115.05465	3.9
117.07011	17.3
119.04948	2.7
119.08580	36.1
121.06506	8.3
121.10129	19.1
123.08091	7.9
123.11705	3.6
125.09629	15.3
127.03907	2.9
128.06232	2.1
129.06999	15.0
130.07787	2.0
131.08568	22.2
133.06497	5.4
133.10123	21.4
135.08063	5.8
135.11694	12.5
137.09598	4.2
142.07796	4.0
143.08574	5.1
145.06534	1.9
145.10132	17.8
147.08058	9.0
147.11681	17.6
149.09634	10.8
149.13277	6.0
150.92438	1.5
151.11192	2.7
153.12733	1.5
155.08575	3.1
157.10143	12.0
159.11720	7.3
161.09634	2.8
161.13246	2.6
163.11179	18.7
165.09160	2.0
165.12729	2.7
169.10144	2.0
171.10237	1.6
171.11679	2.8
173.04500	1.3
173.13309	4.4
175.11185	11.7
177.12784	2.5
181.12265	2.3
183.11690	1.7
184.07420	1.4
187.11200	2.8
189.09712	1.3
189.11139	6.8
191.10744	1.7
193.12224	29.8
195.13802	3.3
205.12288	1.6
209.11751	3.1
211.13300	46.8
223.13237	15.4
227.12741	19.7
237.16406	1.5
249.14825	3.2
255.15878	2.6
257.18826	2.7
267.15912	29.8
269.17487	9.9
273.18448	16.4
275.20044	13.6
283.15408	37.2
285.16962	47.4
291.19531	100.0
292.19794	1.8
293.21039	1.8
313.21872	1.6
331.22815	1.6
347.22141	2.4
349.23737	12.1
365.23236	48.2
437.25183	2.1
453.24741	3.0
459.27228	3.0
461.28827	1.5
463.26956	9.6
468.33411	1.4
477.28485	37.2
495.29468	2.2
539.33771	2.4
557.34723	54.7
558.35028	2.8
575.35791	72.2
576.36224	3.4
584.79919	1.5
683.37732	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	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	14.1
55.05260	2.2
55.05511	31.0
57.03434	19.7
57.07066	3.6
59.05012	4.1
61.02915	4.5
65.03939	2.6
67.05503	63.8
69.03417	9.9
69.07068	22.5
69.16012	3.1
69.16416	7.9
71.04983	6.2
71.08667	1.5
72.80299	1.9
73.02896	2.1
79.05043	3.3
79.05491	53.5
81.03423	34.9
81.07056	76.0
83.01340	9.2
83.04991	19.0
83.08620	23.4
85.02911	12.6
85.06534	3.8
86.09708	1.4
91.03947	3.1
91.05480	54.9
93.07046	67.9
95.04961	20.3
95.08612	28.8
97.02873	10.0
97.06521	16.8
97.10151	6.5
99.04420	2.3
99.08066	2.2
105.04556	2.8
105.07028	38.2
107.04957	18.7
107.08591	43.8
109.06516	9.7
109.10178	15.5
111.04392	3.6
111.08082	8.6
113.09583	2.0
115.05493	2.9
117.07011	19.0
119.08575	28.3
121.06535	6.9
121.10143	21.2
123.08066	12.0
123.11691	4.3
124.99994	1.9
125.05962	2.3
125.09624	4.7
127.03918	2.6
128.06183	2.0
129.07001	8.4
131.08575	17.8
133.06464	3.5
133.10126	28.2
135.08032	7.8
135.11688	20.7
137.09592	3.6
143.08528	5.8
145.06482	3.2
145.10124	25.5
147.08038	4.4
147.11655	9.3
149.09631	10.0
149.13258	10.7
151.11176	7.6
153.12694	2.2
155.08557	1.7
157.10146	6.9
159.08051	2.2
159.11702	9.5
161.09642	3.2
161.13139	2.0
163.11166	25.1
165.12761	2.1
171.11729	3.5
173.09637	3.6
173.13298	2.2
175.11226	5.1
175.14851	1.4
177.12718	5.2
178.82178	1.8
179.14284	1.9
181.12247	3.5
183.11736	1.8
184.07327	7.1
191.10631	4.3
193.12271	8.5
195.13818	4.3
201.12704	1.8
209.11708	7.4
211.13289	13.4
223.13254	3.3
227.12781	11.7
239.18175	1.9
253.14305	10.7
255.15785	10.7
257.18970	4.3
259.20453	2.2
265.14450	2.1
267.15961	13.8
269.10645	2.2
269.17465	29.0
273.18448	5.9
275.17209	2.2
275.20032	14.4
283.15402	83.4
285.17090	9.6
289.17914	2.2
291.19516	17.7
299.14819	2.2
305.35422	1.8
307.18896	1.8
331.22797	2.1
333.24146	2.7
347.22256	4.1
349.23837	16.3
365.23175	9.2
367.24933	1.8
405.43628	1.4
445.25900	1.9
459.27203	3.0
463.26895	24.9
477.28479	100.0
478.28793	4.7
481.27924	4.0
487.18188	1.6
539.33234	5.6
557.26172	2.8
557.34686	40.7
575.35718	28.6
800.60699	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	772.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45369	1.5
55.01888	12.1
55.05521	27.1
57.03444	13.7
61.02946	2.8
65.03933	2.4
67.05514	73.6
69.03436	10.9
69.07079	24.3
69.64961	2.8
69.65346	3.4
70.14114	1.2
71.04996	9.6
77.03928	1.7
79.05040	2.8
79.05506	54.1
81.03431	64.7
81.07069	79.3
83.04993	25.4
83.08200	1.0
83.08629	27.8
85.02924	21.2
85.06563	8.1
89.64323	1.5
91.03986	1.8
91.05492	78.3
93.07059	47.2
95.04980	33.9
95.08626	28.6
97.02884	5.8
97.06549	10.9
97.10162	5.1
99.04466	3.0
99.08095	3.1
101.06026	1.9
105.04546	3.0
105.07043	63.1
107.04977	16.8
107.07919	2.8
107.08611	38.8
109.06541	13.1
109.10172	52.8
111.04478	2.2
111.08081	11.3
113.02258	1.5
113.06016	3.7
115.05486	2.6
115.07640	1.4
117.07061	8.9
119.08599	26.1
121.06531	7.2
121.10167	15.6
123.08108	7.7
123.11700	9.6
123.30208	1.4
125.06023	1.8
125.09664	4.7
127.07604	3.3
128.06216	1.8
129.07027	12.6
131.08578	22.9
133.06497	6.4
133.10147	80.2
135.08081	8.6
135.11726	6.9
137.09654	4.0
141.07021	2.3
142.07762	2.6
143.08568	6.5
145.10153	10.1
146.10524	1.4
147.08054	9.1
147.11710	18.0
149.09622	13.1
149.13329	2.1
151.11205	32.9
155.08624	2.3
157.10135	15.8
159.08057	1.5
159.11723	4.7
161.09642	8.8
161.13182	1.5
163.11212	4.5
165.12801	3.2
169.12285	5.8
171.11710	4.3
173.09604	1.5
175.11201	17.1
177.09094	1.8
177.12715	2.0
179.10664	2.1
184.07365	2.5
189.12775	2.0
189.14580	1.2
191.10739	2.7
193.10506	2.5
193.12277	47.8
211.13309	69.7
213.16489	1.3
215.12889	3.3
220.98680	1.5
223.13269	3.1
227.12854	3.1
245.19012	3.1
249.14745	1.5
251.12865	2.6
253.14383	100.0
254.14720	3.1
263.20096	2.9
267.15948	25.5
269.17569	2.7
271.15469	4.5
273.18503	27.5
275.20090	3.1
283.15378	4.0
285.17010	66.3
286.17313	2.8
287.20099	1.8
291.19589	37.6
309.20621	1.7
347.22159	10.4
349.23730	3.3
365.23297	39.2
366.23508	2.1
463.26852	20.4
477.28107	1.8
481.28052	34.5
539.33630	6.1
543.37109	2.1
556.37653	1.5
557.34857	31.6
575.35834	68.2
576.35876	5.4
745.70331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	6.1
55.05437	12.9
55.05736	2.2
57.03362	4.8
57.03667	0.8
61.02874	0.9
65.03864	2.2
67.05421	42.1
67.05823	5.5
69.03353	1.8
69.06985	21.8
69.07401	2.8
71.04907	19.7
71.05344	2.5
77.03909	0.9
79.05405	28.1
79.05917	2.5
81.03331	7.9
81.06966	61.7
81.07729	2.0
82.07336	0.5
83.04890	6.3
83.08527	8.4
85.02859	1.4
85.06452	4.3
91.05389	45.3
91.06012	3.3
93.06949	30.3
93.07588	2.1
94.07236	0.7
95.01236	6.0
95.04876	8.1
95.08511	21.5
95.09182	1.5
97.02834	0.7
97.06542	16.5
97.07103	1.0
97.10077	3.1
99.04372	0.6
99.08016	1.5
101.05951	0.9
103.05418	1.3
105.04473	1.2
105.07043	59.6
105.08025	1.9
106.07323	0.7
107.04971	10.2
107.08609	19.9
107.09264	1.2
107.56924	0.6
109.02851	0.6
109.06536	3.2
109.10166	8.3
111.08078	3.2
113.09563	1.3
115.05360	1.5
117.07034	11.0
119.04854	0.8
119.08596	29.2
121.06415	2.1
121.10160	9.1
123.04336	1.6
123.07939	2.2
123.11713	7.1
125.09592	2.6
127.03897	0.7
127.07457	0.6
128.06137	0.7
129.07016	2.9
131.08582	19.6
133.06403	1.0
133.10143	41.0
134.10323	0.7
135.08075	3.3
135.11696	7.5
137.09479	2.2
139.07452	1.0
139.11032	0.7
141.06905	1.1
143.08467	2.0
145.06421	1.3
145.10156	12.0
147.08006	0.6
147.11697	13.1
149.09608	5.1
149.13272	6.6
151.11203	7.0
153.09016	0.5
155.08446	1.2
157.10007	2.2
159.11703	12.3
161.09622	0.7
161.13275	4.5
163.11140	3.5
165.09059	1.0
169.10033	1.8
169.12189	1.0
171.11569	2.3
173.13138	2.1
175.11172	1.4
177.12798	4.0
179.12881	0.9
179.14304	10.7
183.11644	1.8
183.13687	2.4
184.07336	2.9
187.11119	1.9
187.13165	2.1
187.14638	0.6
189.12637	0.9
193.12222	1.3
195.13777	2.6
197.13300	1.2
205.12166	0.9
225.14880	4.0
239.17955	0.6
241.19287	0.7
247.20567	1.0
251.16505	3.0
253.14279	1.6
257.16937	1.0
257.18948	2.9
259.20496	1.0
267.15887	2.1
269.17490	7.0
271.15503	0.8
275.20090	46.8
276.20416	1.1
277.21918	0.5
279.15805	0.7
293.20981	2.7
301.20105	21.3
317.79642	0.5
333.24210	0.7
349.23776	19.2
353.02228	0.5
445.24310	1.8
447.27271	1.2
463.30502	1.0
517.35309	35.7
518.35547	1.3
525.35828	0.7
531.36768	12.3
541.35443	1.6
543.36865	100.0
544.37054	4.4
575.39496	75.8
576.39764	3.5
593.40741	0.7
687.40747	1.7
719.43567	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	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	10.2
57.03452	0.6
66.09695	0.7
67.05513	1.0
69.33408	2.2
69.33799	1.3
74.07688	0.6
79.05493	0.7
79.33163	0.6
81.03433	0.8
81.07052	1.5
84.96046	1.8
86.70690	0.7
91.05441	0.8
93.07030	0.9
98.22690	1.6
98.23373	2.1
98.97589	6.0
105.07021	0.8
110.97599	1.6
112.99116	6.9
116.98618	2.6
124.18063	0.7
128.98621	1.2
130.99269	1.1
131.00191	12.8
139.00691	2.1
143.00151	2.7
149.01250	8.0
153.02180	2.4
157.01732	1.8
158.99684	3.1
161.01187	1.8
163.93407	0.7
167.03854	2.0
170.99539	0.8
171.03314	3.9
173.01245	2.9
177.00705	2.6
185.01239	2.4
185.04863	6.2
187.02745	0.8
189.00702	0.8
189.04352	1.3
191.02335	1.5
195.06958	1.3
199.02759	3.6
203.02264	1.3
203.05936	3.9
209.01231	1.1
211.06454	2.5
213.07977	1.3
217.03812	2.4
219.01749	1.4
219.07094	0.9
221.08524	2.1
223.06483	2.7
223.57475	0.8
227.02272	0.9
229.07414	1.1
231.06941	1.5
237.08005	1.6
239.09583	1.9
241.07462	1.6
246.24333	1.0
249.07910	12.3
251.09587	3.2
263.09543	2.6
267.09061	100.0
268.09406	2.1
269.10706	4.6
275.04416	2.9
281.10547	5.7
285.10117	65.6
286.10599	1.2
287.11749	1.4
290.10623	6.4
291.09042	2.0
293.05438	5.7
293.10666	1.5
299.11694	2.4
303.10886	1.8
305.10757	1.7
308.11737	4.5
309.10065	15.8
311.06512	0.9
311.11591	1.1
321.10144	1.0
323.11707	8.1
327.11163	2.7
335.11423	1.5
339.10635	0.9
341.12784	0.9
345.10199	1.0
351.11273	2.1
377.12720	1.8
393.12216	0.8
411.13306	1.6
429.14270	2.1
448.93719	0.8
459.20593	3.2
467.15881	8.6
468.15427	0.9
473.22357	1.6
485.16989	75.0
486.17014	3.0
501.21484	2.3
503.17892	2.7
515.23328	1.0
528.03864	0.8
533.24292	1.1
605.27112	0.8
612.37903	1.0
677.28699	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	773.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
57.03452	1.4
65.03972	0.5
67.05513	6.8
69.07089	1.6
69.48415	1.9
71.05019	1.5
79.05486	4.0
81.03428	0.7
81.07069	6.9
82.07399	0.6
83.04996	0.9
83.08624	1.0
86.09724	0.7
91.05482	4.6
92.05862	0.9
93.07064	5.2
95.04974	1.4
95.08620	3.5
97.02947	0.6
97.10166	0.8
98.22745	1.1
105.07052	3.5
107.08631	2.2
109.10185	2.3
117.07058	1.5
117.51469	0.6
119.08600	2.4
121.10182	1.9
123.08160	0.6
123.11767	0.6
125.09650	0.8
129.05554	0.7
131.08623	1.6
133.10152	3.5
134.10461	0.7
134.43500	0.5
135.08090	0.8
135.11708	1.3
145.10155	1.4
147.11729	1.1
149.13266	1.3
159.11826	0.6
184.07457	2.5
238.60536	0.6
261.22403	0.8
269.17526	1.8
275.20172	2.1
276.20416	1.2
299.15015	2.7
317.15744	0.7
335.25806	3.7
336.26328	0.7
349.23819	1.1
481.18195	0.8
492.62012	0.6
518.35559	1.7
535.61993	0.6
543.36890	2.5
544.37097	5.0
549.24976	0.8
559.36560	1.1
575.38934	0.6
576.39758	1.8
773.38794	100.0
774.39264	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	773.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
55.05508	3.5
57.03429	1.6
61.02928	3.2
65.03944	0.4
67.05505	7.3
69.03429	3.3
69.07074	3.8
71.01373	0.3
71.04992	1.5
73.02914	2.6
79.05492	6.5
81.03410	2.2
81.07059	6.4
81.72569	0.3
82.07369	0.6
83.04970	1.7
83.08614	2.0
85.02898	3.6
91.03954	2.0
91.05482	7.1
92.05856	0.4
93.07044	6.0
95.04974	2.4
95.08612	3.5
97.02885	3.6
97.06535	1.1
97.10165	1.6
99.04459	0.7
101.02382	1.6
105.04532	0.4
105.07024	5.5
107.04946	1.0
107.08579	2.7
109.02875	0.7
109.06535	0.8
109.10172	2.4
111.08084	0.8
117.07039	1.4
119.08569	3.1
121.10176	1.2
123.08097	0.6
123.11698	0.6
125.00005	0.3
125.09640	1.5
127.03943	0.8
129.05479	0.4
129.07019	1.3
131.08600	1.3
133.06525	0.4
133.10100	1.6
135.08081	0.5
135.11726	0.9
139.07646	0.4
143.08562	0.5
145.10149	1.4
147.11690	2.2
149.09615	0.4
149.13255	0.6
153.09177	0.4
157.10193	0.7
159.11726	0.7
161.09618	0.5
161.13292	0.6
163.11157	0.6
170.16466	0.3
171.11728	0.9
177.12874	0.4
183.11768	0.3
184.07362	0.7
185.04210	0.7
189.12721	0.6
193.12328	0.5
197.67308	0.3
203.05418	0.7
207.13780	0.4
223.13388	1.4
243.08418	3.5
247.13116	1.1
267.09067	0.5
269.17642	0.7
273.18686	0.4
275.20053	1.0
285.10074	0.4
291.19583	1.5
331.18878	1.2
349.23743	0.5
350.24518	0.5
465.20993	8.1
476.31009	0.5
485.17142	0.4
527.37610	0.5
543.36810	0.7
544.37189	0.6
549.26581	4.2
576.36011	0.6
771.85724	0.5
773.40753	100.0
774.41003	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.4
57.03433	9.9
61.02916	5.0
67.05499	53.8
69.03419	6.4
69.07062	15.1
79.05489	39.3
81.03416	4.8
81.07056	49.0
83.08620	9.3
85.02928	4.0
85.06502	2.9
91.05471	42.1
93.07049	41.8
93.29961	2.4
95.04967	4.8
95.08013	3.7
95.08603	31.4
97.02891	7.2
97.06525	4.7
97.10181	4.1
99.08060	3.2
100.28745	3.2
105.04491	3.0
105.07028	36.6
107.04990	3.2
107.08586	26.6
109.10145	17.2
111.08030	3.0
111.11729	3.0
113.09605	3.1
117.07001	16.7
119.08575	38.4
121.06444	2.7
121.10146	23.3
123.08035	2.7
123.11681	8.7
128.06277	2.9
129.07018	8.4
131.08563	26.5
133.10144	31.9
133.76384	2.5
135.11708	16.0
137.09631	2.8
143.08582	6.2
145.10139	21.1
147.11671	28.4
149.13261	8.9
155.08473	3.7
157.10104	10.6
159.11702	20.8
161.13266	25.3
163.11159	4.8
163.14784	5.7
168.14366	2.4
169.10016	4.1
171.11658	13.7
173.13269	15.4
175.14804	13.4
181.10056	3.1
183.11708	5.0
184.07335	2.9
184.74237	3.0
185.13219	13.3
187.14769	8.2
197.13205	4.4
199.14853	4.7
211.14796	3.3
213.16461	4.9
225.12653	2.8
231.21133	8.9
239.18033	4.1
241.19589	24.7
243.21017	4.1
257.19083	9.3
259.20569	64.9
261.22076	8.2
271.20563	3.5
277.21545	2.8
301.21796	4.2
313.21439	3.2
315.22989	7.2
333.24255	43.6
335.25803	72.1
337.27219	4.8
342.29370	3.1
367.22595	3.9
385.23645	5.0
519.42133	6.3
537.42609	4.5
593.45410	9.3
611.46710	100.0
612.46698	3.9
623.46344	3.0
677.49023	3.0
701.47034	5.5
719.47845	3.9
737.48572	3.2
755.51086	4.1
773.51086	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	773.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05524	9.0
57.03446	4.6
57.07081	1.9
60.32838	0.8
61.02934	12.8
67.05509	17.8
69.03429	6.2
69.07076	9.2
71.04983	1.2
71.43483	1.0
73.02927	7.9
79.05501	9.8
81.03419	3.2
81.07068	17.1
83.08639	5.5
85.02910	10.9
85.06565	0.9
86.09703	1.3
91.03968	6.3
91.05483	10.7
91.25941	1.0
93.07056	12.5
95.04983	2.4
95.08614	14.5
97.02905	10.6
97.06559	1.9
97.10201	1.9
99.04518	0.9
101.02409	1.3
105.04472	1.1
105.07030	10.7
107.08614	8.0
109.02886	1.3
109.06508	1.2
109.10167	7.9
111.08067	1.0
116.14490	0.9
117.07043	5.1
119.08571	9.5
121.10152	5.9
123.08060	1.2
123.11720	2.4
125.00024	0.9
125.09618	1.7
127.03923	1.6
128.06277	1.6
129.06984	6.9
131.08575	10.7
133.10127	6.8
135.11716	3.7
137.06001	1.9
137.13290	1.3
141.07005	2.1
141.74269	0.8
142.07889	1.4
142.47189	0.9
143.08572	9.2
145.04939	0.9
145.10150	9.3
147.11729	3.6
149.13301	1.8
155.08582	6.9
157.10123	10.4
159.11694	7.1
161.13301	2.6
167.08604	1.7
169.10130	7.3
171.11694	7.4
173.13301	4.4
175.14789	2.0
179.63141	0.8
181.10158	2.7
183.11729	6.0
184.07422	5.8
185.13297	5.5
187.14809	3.5
189.16386	1.3
195.11751	2.8
197.13283	4.5
199.14848	4.1
201.16399	1.9
209.13295	1.9
211.14841	3.6
213.16411	2.7
215.18048	2.0
219.11755	1.2
223.14793	1.8
225.16455	2.3
227.18027	2.2
229.19565	1.4
237.16542	1.4
239.18047	1.6
241.19577	1.4
243.20985	1.0
263.84534	0.9
265.19571	1.0
267.21222	1.7
269.22568	1.1
277.17850	1.3
283.20380	1.3
295.41434	1.0
344.53043	0.9
467.26538	1.0
470.02701	1.1
483.10760	1.0
519.42181	4.8
519.49298	1.1
523.37769	1.3
537.42804	2.5
541.39276	1.5
550.51984	1.1
593.45691	6.0
609.45068	1.8
611.46716	100.0
612.47333	6.2
614.44958	3.0
635.46277	1.1
653.46906	1.2
737.49878	1.6
755.50714	2.0
773.52252	18.6
774.52350	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	14.6
55.05508	34.3
56.96566	1.0
57.03435	16.3
57.07065	1.5
59.04995	2.4
61.02914	2.4
62.22637	0.9
64.72960	0.9
65.03921	3.0
67.05501	49.4
69.03424	7.6
69.07064	38.0
71.04984	7.0
73.02905	2.4
77.03910	2.1
79.05489	57.3
81.03413	64.2
81.07050	52.0
83.04977	17.5
83.08614	32.7
85.02900	20.3
85.03399	1.2
85.06533	4.3
87.04477	1.7
91.05472	54.9
93.07037	39.2
95.01286	1.3
95.04354	1.1
95.04960	25.0
95.08601	26.9
97.02887	4.5
97.06525	20.2
97.10165	32.7
99.04469	1.3
99.08081	2.6
103.05433	1.1
105.04514	2.2
105.07021	47.3
107.04951	16.0
107.08585	50.9
109.02881	2.9
109.06519	7.9
109.10143	12.9
111.04447	2.5
111.08073	11.7
113.06018	2.3
115.05435	2.5
117.07016	11.1
119.04940	1.4
119.06056	1.0
119.08573	32.3
121.06509	5.0
121.10131	15.9
123.04401	1.6
123.08043	4.0
123.11684	4.4
125.05959	1.2
125.09615	30.5
127.03902	2.6
127.07634	1.1
128.06213	1.3
129.06990	13.7
131.08562	21.8
133.06519	4.2
133.10121	27.5
135.08061	6.0
135.11714	5.5
137.09598	3.1
141.06996	2.4
142.07759	2.1
143.08551	3.5
143.10620	1.1
145.10106	17.9
147.08037	2.6
147.11678	25.8
149.09598	21.8
149.13226	2.4
151.11166	2.3
153.09059	2.2
155.08524	3.7
157.10109	16.5
159.11685	10.7
161.09586	2.2
161.13228	4.6
163.11153	9.9
165.09087	1.5
165.12766	3.1
169.10083	1.7
171.10115	3.0
171.11555	2.4
173.11775	2.3
173.13280	4.4
173.15645	1.1
173.40956	0.9
175.11159	13.9
177.12758	3.0
179.14331	3.9
181.12221	1.4
183.11717	3.1
184.07346	1.9
185.13252	1.7
187.11185	3.0
189.11208	14.6
189.12714	1.3
193.12234	37.1
195.13899	1.3
197.13293	1.7
211.13269	54.7
212.13608	1.8
219.13777	1.1
227.12753	59.2
228.13120	1.6
229.14319	1.3
239.17929	2.1
245.13869	2.4
247.20958	1.3
253.17984	2.2
257.18964	8.2
267.15903	19.8
269.17401	1.3
273.18774	1.4
275.20038	50.5
276.20380	2.0
285.16943	53.5
293.21011	6.0
331.22672	3.5
344.25943	1.8
349.23718	61.3
350.08453	1.0
350.24106	2.0
381.22665	1.8
389.18057	2.8
419.24039	1.7
431.29343	1.3
437.25330	5.0
445.29767	1.4
447.27676	1.3
449.30573	1.2
455.26239	3.6
459.26959	1.3
461.28726	1.5
463.30597	4.1
467.31409	1.3
523.34094	3.3
541.35187	40.8
542.35327	2.4
559.36267	100.0
560.36755	5.4
562.67944	1.1
577.37177	12.6
599.30707	2.2
694.09113	1.4
701.21332	1.2
721.41174	1.7
784.40277	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.1
55.05511	35.5
57.03440	24.9
57.07069	3.7
57.65978	1.7
59.87614	1.9
61.02913	4.8
65.03923	5.2
67.05502	76.5
69.03436	10.1
69.07070	28.4
69.30412	1.7
69.56399	1.6
71.01366	2.1
71.04989	7.9
73.02898	2.8
79.05492	85.9
81.02959	3.4
81.03415	47.9
81.07056	83.5
81.87433	1.6
83.04977	21.5
83.08618	24.8
85.02895	20.5
85.06536	2.9
91.05479	100.0
92.05818	3.2
93.07041	78.6
95.04967	33.5
95.08604	39.4
97.02885	9.8
97.06520	17.7
97.10168	13.4
98.07282	3.7
99.08072	4.8
103.05442	2.7
105.04514	4.9
105.07027	74.6
107.04953	13.5
107.08593	43.3
109.06503	10.6
109.10146	20.1
111.08077	12.8
114.54015	1.7
115.05449	3.9
116.04726	6.9
117.07018	24.8
119.08578	62.3
120.42694	1.7
121.06492	6.8
121.10133	27.3
123.08070	7.6
123.11705	4.8
125.09599	11.0
127.03885	2.2
128.06273	2.1
128.10916	1.8
129.05475	19.7
129.06982	15.8
131.08568	36.1
133.06512	4.4
133.10126	51.6
135.08038	6.7
135.11693	19.9
137.09599	4.7
141.07013	2.6
142.07751	3.4
143.06975	2.5
143.08553	11.4
145.10107	25.9
147.08026	5.3
147.11671	41.2
149.09653	11.1
149.13295	13.4
151.11220	4.0
155.08516	2.5
157.08630	8.7
157.10124	23.6
159.11716	23.0
161.09595	3.0
161.13261	23.5
163.11203	9.6
165.12744	3.8
169.10153	4.5
171.10251	3.2
171.11705	11.4
173.13214	9.2
175.11176	14.8
175.14822	8.3
177.12732	6.0
178.44359	1.6
179.14330	2.2
181.10104	1.9
181.12207	1.8
183.10165	2.3
183.11705	4.9
184.07355	7.7
185.13203	9.2
185.22444	1.6
187.14841	4.0
189.11174	5.3
189.12688	3.0
189.16328	1.7
193.12227	32.5
195.11806	2.3
195.13792	7.2
197.13303	3.7
199.14807	4.3
211.13278	35.7
211.15111	3.5
221.82790	1.7
227.12764	6.4
231.21028	4.1
239.18051	2.3
241.19490	16.3
243.15955	1.9
253.14343	2.1
257.19049	6.9
259.20572	45.8
265.20892	2.2
267.15927	19.4
269.17377	15.1
273.18442	3.1
275.20099	17.9
283.15399	5.2
285.16980	38.8
291.19366	2.7
301.16476	36.5
313.21609	3.5
315.23187	4.9
331.22705	3.0
333.20605	2.9
333.24249	36.5
349.23718	12.9
365.23218	2.5
367.24542	2.4
423.27496	2.5
433.31366	2.7
461.28873	4.6
477.28415	3.9
479.30011	17.6
525.35675	12.0
541.34894	3.9
543.36694	18.7
559.36365	18.3
577.37286	7.7
651.47821	1.8
775.38745	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	14.4
55.05508	44.9
57.03437	31.2
58.00004	2.3
61.02928	3.4
65.03952	5.4
66.00233	2.6
67.05504	88.5
67.97322	2.4
69.03419	16.7
69.07067	40.7
71.04987	10.5
73.02933	2.4
77.03931	2.8
79.05496	87.4
81.03421	97.7
81.07056	96.7
83.04978	35.2
83.08622	51.3
85.02902	37.1
85.06541	4.6
89.86568	2.9
91.05479	85.4
93.07046	72.6
94.71987	2.3
95.04974	45.2
95.08607	42.2
97.02902	15.4
97.06537	20.9
97.10176	15.9
99.04452	2.8
99.08087	5.1
105.07030	72.2
107.04974	15.2
107.08595	51.3
109.02879	3.5
109.06500	13.4
109.10167	14.2
111.04444	4.6
111.08067	20.9
113.06032	3.3
115.05454	2.4
117.07021	20.6
119.08585	48.8
121.06532	8.9
121.10133	27.7
123.08090	4.8
123.11748	4.9
125.09620	10.7
127.03909	4.9
129.06990	25.0
131.08571	35.3
133.06514	6.6
133.10126	38.2
133.11038	4.3
135.08093	6.0
135.11685	14.0
137.09671	7.2
142.07800	5.4
143.08553	5.4
143.26521	2.3
145.10118	21.4
147.08038	7.2
147.11679	35.4
149.09615	28.3
149.13255	10.1
149.97556	2.8
151.11169	3.6
157.10120	23.5
159.11690	16.2
161.13210	5.5
163.11192	11.6
165.12727	6.2
171.11707	5.1
173.13217	5.9
175.11200	23.1
177.12691	5.3
183.11650	4.5
185.13371	2.8
187.11209	3.3
189.11212	6.7
193.12248	62.2
194.38232	2.8
195.13794	5.6
197.13367	2.2
211.13300	100.0
227.12718	19.3
239.17917	4.3
247.46967	2.7
255.15927	10.3
257.18954	9.1
267.15851	42.2
269.17517	22.8
275.20078	43.4
285.16980	95.5
293.21024	3.8
331.22296	3.1
349.23798	44.7
354.25980	2.7
367.25003	4.2
437.25424	3.6
439.26981	5.2
447.27359	11.2
455.26508	6.8
461.28943	24.6
465.28348	14.1
479.30066	82.1
517.46191	2.5
541.35492	18.2
559.36298	51.6
577.37274	8.9
623.34375	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.0
55.05509	30.5
57.03437	22.1
57.07087	1.7
61.02921	3.2
65.03950	3.9
67.05505	67.4
69.03431	10.8
69.07066	25.0
71.01353	1.5
71.04994	9.4
73.02917	1.9
77.03922	2.5
79.05495	55.1
81.03416	68.0
81.07056	76.3
83.04979	23.6
83.08616	31.7
83.09092	2.0
85.02899	25.8
85.06558	3.7
89.68497	1.3
91.03973	2.4
91.05481	61.1
93.07047	53.1
94.07423	1.4
95.04968	36.6
95.08606	26.7
97.02889	5.0
97.06528	12.9
97.10169	7.8
98.22706	3.8
99.08109	3.1
103.05471	1.5
105.04512	2.0
105.07032	46.3
107.04936	11.2
107.08598	31.8
109.02911	2.1
109.06509	8.6
109.10148	7.4
111.04452	4.2
111.08095	11.7
113.06017	3.1
115.05471	2.2
117.07018	14.1
119.08580	33.3
121.06534	5.8
121.10139	21.9
123.08061	6.1
123.11713	3.4
125.09632	4.2
126.62527	1.3
127.03929	3.4
127.07564	1.8
128.06223	2.2
129.05496	2.1
129.07011	14.2
131.08563	25.8
133.06490	5.1
133.10129	28.3
135.08084	4.8
135.11681	13.0
137.09622	2.8
142.07809	5.1
143.08591	3.7
145.10118	13.3
147.08064	3.2
147.11684	22.7
149.09634	16.6
149.13289	10.2
149.64061	1.4
151.11206	2.4
155.08484	1.8
157.10133	16.3
157.11247	1.8
159.11696	11.0
161.13249	2.7
163.11163	7.1
165.12779	5.0
169.10210	2.0
171.11714	3.5
172.96890	1.2
173.04482	3.5
173.09627	1.3
173.13329	4.2
175.11206	15.4
177.12793	5.0
181.12206	1.9
183.11694	2.3
185.13391	1.6
193.12248	46.2
193.13971	2.7
195.13815	6.0
197.13310	1.8
201.12856	1.4
209.13316	1.7
211.13277	63.9
212.13579	1.3
227.12794	4.3
229.19444	2.2
239.18100	1.8
249.14806	2.2
251.16533	1.3
255.15900	13.4
257.19070	5.6
267.15933	37.0
267.18759	2.5
269.17456	40.4
275.20078	19.9
285.16962	68.8
293.21136	1.9
331.22583	2.0
344.66995	1.3
349.23730	19.1
367.24631	4.9
443.28000	2.7
447.27573	10.9
461.29022	35.2
462.29816	1.4
465.28485	19.6
475.08725	1.6
479.30054	100.0
480.30270	4.1
501.31641	1.9
541.35205	11.0
559.36249	24.2
577.37616	7.1
605.33258	1.8
623.34332	2.3
706.30554	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	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.1
55.05255	2.0
55.05508	28.8
57.03176	1.5
57.03437	17.8
57.07067	3.4
59.05016	1.9
61.02931	5.6
61.43272	1.1
65.03932	4.6
67.05502	100.0
68.05036	1.6
68.05876	1.4
69.03426	14.0
69.07065	40.0
71.01357	2.5
71.04991	8.9
71.08638	1.8
71.19664	1.4
73.02919	4.0
73.49786	1.0
77.03927	2.4
79.05492	62.9
81.03416	18.9
81.07055	94.4
82.07382	1.6
83.04980	12.0
83.08134	1.0
83.08622	20.8
85.02911	10.0
85.06549	6.5
91.03957	1.6
91.05479	54.7
93.07043	68.4
95.04968	17.7
95.08602	42.8
97.02892	10.1
97.06531	17.2
97.10162	8.2
99.04479	3.5
99.08125	4.8
101.02365	1.3
104.07460	1.0
105.04511	4.0
105.07029	34.6
107.04954	7.9
107.08593	40.7
109.02876	2.8
109.06506	6.2
109.10152	24.6
111.04443	3.6
111.08067	10.1
115.05453	1.8
116.04738	1.2
117.07016	14.5
119.06113	1.0
119.08574	21.9
121.06492	6.5
121.10140	16.5
123.08070	8.0
123.11725	6.3
125.09619	6.5
127.03927	6.1
128.06255	1.0
128.37808	1.0
129.05470	8.4
129.06937	4.8
130.07794	1.7
131.08566	20.5
133.06477	1.4
133.10124	29.4
135.08047	4.0
135.11687	21.4
137.09596	9.2
139.11177	1.3
141.06953	1.0
141.09084	1.7
142.07849	1.2
143.08588	3.1
145.04956	1.7
145.10132	8.7
147.08064	2.4
147.11670	11.8
149.09605	15.9
149.13242	18.1
151.11206	4.3
153.12808	1.2
155.08569	2.4
155.10693	2.8
157.08810	1.1
157.10132	5.0
159.11688	12.3
161.09666	2.4
161.13248	3.4
163.11189	6.2
165.09111	1.3
165.12744	2.6
167.10616	1.1
169.10158	1.4
169.12260	1.4
171.11610	2.5
173.04478	3.3
173.11754	7.5
173.13258	3.3
175.11211	2.4
175.14711	1.1
177.12761	7.3
179.14250	6.8
181.12231	2.4
183.11674	1.1
185.13257	1.6
187.13274	2.0
189.11212	2.9
193.12247	3.2
195.13797	22.7
197.13362	1.7
199.13289	3.1
211.13252	2.4
213.14827	2.6
223.13147	1.3
227.12695	4.8
229.14299	7.7
239.16351	1.9
243.15897	6.8
245.19092	1.3
247.20602	1.4
249.14716	1.1
251.16283	1.2
253.14273	2.1
255.15868	9.3
257.18979	4.1
267.15866	6.2
269.17468	59.6
270.17856	2.0
273.18509	4.2
275.20074	11.4
277.21692	2.4
285.16806	4.8
291.19571	8.3
291.22559	1.4
293.21320	1.9
297.16782	2.0
299.14841	1.4
301.16370	2.8
341.98834	1.2
349.23654	23.2
351.25195	1.5
365.23178	8.5
365.26935	2.2
373.18582	2.1
383.27899	2.2
393.26300	1.5
420.28619	3.9
423.21933	1.7
423.27368	25.2
437.28940	14.2
447.30923	3.8
449.29102	6.0
461.29022	2.2
462.29614	1.5
463.30869	2.7
465.28339	1.3
479.29858	2.8
501.36227	1.2
543.36743	26.5
544.36731	2.0
559.36285	3.2
561.38013	2.4
567.31342	2.3
577.36957	7.6
774.41174	1.4
775.41748	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05517	15.6
57.03440	14.9
57.07061	2.5
61.02898	1.5
62.42842	1.1
65.03939	2.8
67.05508	46.9
69.03426	2.9
69.07062	10.7
71.04987	3.3
73.06536	1.3
79.05492	36.0
81.03419	76.9
81.07059	44.0
83.04979	4.7
83.08182	1.9
83.08625	19.0
85.02915	2.0
85.06563	1.2
86.44723	1.1
91.05478	28.4
93.07048	34.9
95.04972	24.8
95.08019	2.1
95.08604	32.3
97.02901	2.3
97.06535	3.2
97.10165	6.6
98.23511	2.8
98.75041	1.1
99.08102	1.2
100.88956	1.1
105.04533	1.4
105.07026	17.8
107.04989	7.1
107.08591	20.8
109.06513	3.3
109.10159	12.9
111.04428	1.6
111.08061	5.4
115.05444	1.9
117.07034	7.9
119.08589	18.5
121.06522	2.8
121.10135	18.1
123.08070	4.0
123.11710	8.5
125.09618	4.1
129.06998	9.4
131.08574	14.6
133.06493	4.6
133.10132	10.6
135.08028	1.5
135.11691	11.4
137.09590	2.7
142.07809	1.7
145.10155	8.8
147.08035	3.3
147.11671	11.9
149.09627	5.8
149.13289	5.6
157.10123	8.6
159.11688	6.3
161.13255	4.5
163.11159	3.2
163.14844	4.6
165.12811	1.5
169.10121	1.5
171.11650	1.5
173.13239	3.9
175.11163	8.6
175.14850	2.7
177.12730	1.5
177.16328	1.8
184.07379	1.6
185.13268	1.9
187.14876	2.4
189.11183	2.8
193.12241	17.9
201.16331	1.3
211.13208	1.6
227.12781	8.4
243.21086	5.5
249.14775	1.4
259.13272	1.5
261.22098	18.3
267.15915	100.0
268.16312	3.3
285.16809	1.6
285.22079	2.2
301.25150	5.8
309.16843	2.5
317.24677	4.3
327.23068	1.1
335.25809	83.2
336.25851	2.5
403.24557	2.0
417.31665	1.6
435.27307	2.8
435.32516	3.4
449.29163	1.3
453.33591	6.4
471.34683	3.9
509.36389	2.2
527.37329	68.3
528.37427	4.1
545.38379	63.2
546.38507	2.1
569.38348	4.4
577.39917	1.5
579.88226	1.2
623.39514	1.4
671.41290	2.2
685.18561	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
55.05510	23.0
55.08174	1.2
57.03434	19.4
57.07077	2.2
59.04980	1.1
60.76275	1.1
60.80383	1.1
65.03945	2.9
67.05503	70.2
68.05832	1.1
69.03424	4.0
69.07066	17.7
71.04987	4.9
77.03957	1.6
77.46381	1.0
79.05036	2.5
79.05493	49.4
81.03416	96.1
81.07056	69.9
83.04983	5.9
83.08620	24.4
85.02895	1.4
85.06564	2.3
89.46294	1.0
90.57495	1.1
91.05478	37.2
93.07043	48.3
95.04967	34.4
95.08602	51.4
97.02885	4.0
97.06521	4.4
97.10184	6.4
99.08076	2.3
105.04550	2.1
105.07025	29.8
107.04949	8.4
107.08595	29.6
109.06519	5.2
109.10152	21.6
111.08076	10.1
115.05463	1.4
117.07033	8.6
119.04956	1.6
119.08578	26.0
121.06528	4.1
121.10142	26.3
121.10986	2.0
123.04431	1.5
123.08073	3.8
123.11663	8.2
125.09629	3.4
129.07011	11.6
131.08565	22.0
133.06488	3.3
133.10130	18.3
135.08089	2.1
135.11699	13.8
137.09621	3.5
137.13258	2.6
142.07776	3.6
143.08566	3.0
145.06444	1.2
145.10118	12.1
147.08049	3.9
147.11662	11.6
149.09607	6.3
149.13266	7.0
155.08594	2.0
157.10104	12.6
159.11694	6.5
161.13254	5.1
163.11119	2.5
163.14807	4.5
165.12746	3.5
171.11652	2.3
173.13274	6.5
175.11186	10.6
175.14885	2.1
183.11771	1.9
185.13281	3.4
187.14862	3.1
189.11255	3.4
193.12250	21.7
195.50244	1.2
205.12375	1.3
215.14716	1.1
223.13287	1.5
227.12788	7.6
233.15225	1.2
235.13306	1.6
243.21083	5.8
249.14943	2.1
258.16187	1.1
259.13519	1.7
261.22119	17.9
267.15912	100.0
268.16336	2.1
285.22180	1.3
299.23648	1.1
301.14337	1.3
301.25211	7.9
309.16885	2.5
317.24762	3.9
335.25790	86.2
336.26224	3.0
353.26892	1.3
417.26266	1.6
421.25674	4.1
435.27173	3.2
435.32590	4.8
449.28989	1.4
453.33508	7.6
471.34482	3.4
491.34662	1.5
509.36273	1.3
527.37341	61.3
528.37677	3.2
545.38367	52.0
546.38385	1.4
559.39587	1.9
569.38348	3.7
577.41101	1.4
635.39063	1.6
653.40710	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	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
55.05511	23.7
57.03438	12.4
57.07066	3.4
59.04993	2.8
59.19052	0.7
61.02917	3.5
65.03934	3.3
65.50489	0.7
67.05506	77.6
68.05805	0.9
69.03436	4.0
69.06704	1.7
69.07069	23.3
70.07391	0.9
71.01339	0.8
71.04993	36.1
73.02912	1.3
73.06552	1.4
76.70979	0.8
77.03918	1.3
79.05493	49.7
81.03432	6.3
81.07058	100.0
83.04984	7.8
83.08624	12.9
85.02907	3.1
85.06548	11.0
91.03954	1.8
91.05480	66.8
93.07047	59.1
94.07371	1.8
95.04973	11.8
95.08609	33.5
97.02892	3.0
97.06538	11.9
97.10169	3.7
99.04472	1.2
99.08090	2.3
103.05505	1.7
105.04510	3.0
105.07033	63.2
106.07384	1.4
107.04978	2.3
107.08598	33.7
109.02847	1.1
109.06534	4.9
109.10159	16.8
111.08087	5.5
113.09619	0.8
115.05463	2.1
117.07018	19.1
119.04922	1.1
119.08584	41.7
121.06520	1.8
121.10145	22.8
121.10990	1.6
123.08086	2.5
123.11707	12.8
125.09639	6.8
128.06241	1.6
129.05556	2.1
129.07007	9.9
131.08572	29.5
131.44568	0.7
133.10130	45.4
134.10526	1.2
135.08043	2.0
135.11690	16.6
137.09604	2.6
138.66241	0.9
139.07544	0.9
139.11203	2.3
139.58023	0.8
141.06996	1.1
142.07732	1.3
143.08562	12.8
145.06477	0.9
145.10127	20.2
147.08051	1.2
147.11684	27.3
148.12047	1.0
149.09637	2.9
149.13249	12.0
151.11154	7.0
153.12666	0.8
155.08549	3.3
157.10132	10.4
159.11699	24.3
161.09621	1.2
161.13277	12.1
163.11115	2.0
163.14806	2.4
165.12730	1.6
167.08546	1.0
169.10106	4.0
169.12280	0.9
171.11691	9.3
173.04437	2.4
173.13237	10.8
175.11191	2.5
175.14774	5.4
177.12749	3.4
179.14375	1.2
181.10098	1.8
183.11720	4.1
183.13795	2.7
184.07445	1.8
185.13257	8.2
187.13290	4.9
187.14828	3.2
193.12257	1.1
195.11755	1.9
195.13828	3.7
197.13261	4.0
197.34586	0.9
199.11237	0.9
199.13318	0.9
199.14871	5.1
200.44308	1.0
201.14836	2.1
209.13307	2.1
211.14919	1.2
213.14639	1.2
213.16420	2.3
221.13167	1.5
223.14781	1.1
227.16312	1.0
231.21060	1.5
239.18011	1.7
241.19608	9.5
243.15823	5.4
243.20988	1.3
244.61462	0.9
257.17477	4.8
259.20621	29.6
261.22086	2.2
267.15900	3.3
269.17444	6.3
275.20309	1.8
283.15356	1.7
283.20612	1.3
285.16907	2.4
285.22150	1.8
289.21686	1.6
295.20764	1.0
297.22128	1.1
299.15204	0.8
299.18515	1.6
301.20038	21.5
302.20285	1.2
315.23169	6.2
323.23465	1.0
327.23056	1.3
333.24234	27.9
333.28345	1.4
334.24591	1.0
335.25848	3.8
341.24542	1.5
345.24567	0.9
349.24445	0.9
363.25363	1.5
367.22739	1.2
409.30862	3.6
435.32547	4.7
445.23935	1.2
445.33374	1.0
453.33359	2.9
479.29852	2.2
483.34787	6.5
491.35153	1.5
501.35757	72.7
502.36667	4.1
503.37228	3.4
509.36453	4.4
515.37354	1.8
527.37311	51.9
528.37750	2.8
533.38300	6.7
543.36707	2.5
545.38287	8.9
559.40204	21.2
561.37256	1.0
575.39325	1.2
577.40460	2.5
653.40308	1.1
667.41876	1.2
671.41290	1.8
685.42566	1.4
689.42163	2.7
703.43256	2.1
774.40979	11.4
775.40845	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.8
55.05256	1.7
55.05511	26.1
56.52461	1.0
57.03178	1.8
57.03439	25.0
57.07075	2.0
61.02916	1.8
65.03938	3.7
67.05504	83.5
69.03424	4.5
69.07066	20.4
71.04979	5.6
76.07446	1.3
77.03909	2.3
79.05492	59.3
81.03415	100.0
81.07054	76.1
81.48583	1.1
82.03814	1.0
83.04992	8.1
83.08612	26.6
83.09096	1.7
85.02895	2.4
85.06530	2.8
91.03950	1.6
91.05476	42.2
93.07044	62.1
95.04966	39.9
95.08604	58.4
95.09222	2.2
97.02910	3.5
97.06510	6.2
97.10167	8.6
99.08090	2.5
105.04533	1.7
105.07026	36.2
107.04951	9.1
107.08591	33.3
109.02928	1.1
109.06513	5.9
109.10155	28.0
111.04458	1.6
111.08092	9.3
115.05463	2.0
117.07003	11.1
119.04971	1.3
119.08572	29.6
121.06483	5.4
121.10139	31.3
123.04422	2.2
123.08066	4.0
123.11697	9.3
125.09610	6.1
128.06122	1.1
129.07016	12.2
131.08578	20.7
133.06493	3.1
133.10126	22.2
135.08046	3.0
135.11696	17.6
137.09634	3.6
137.13248	1.6
141.07007	1.6
142.07787	3.1
143.08571	3.1
145.10112	14.3
147.08051	3.8
147.11684	18.1
149.09633	7.4
149.13243	10.2
155.87045	1.0
157.10107	13.4
159.11671	11.1
161.13248	7.0
163.11169	2.2
163.14825	5.0
165.12779	3.5
169.10158	1.6
171.10248	1.1
171.11711	2.8
173.04921	1.1
173.09570	1.6
173.13225	7.1
175.11169	10.6
175.14830	3.2
177.16437	2.2
183.11743	1.1
185.13266	3.4
187.14883	3.0
189.11224	3.5
193.12245	27.3
195.11678	1.3
199.14825	2.0
205.15929	1.5
209.13248	1.0
211.13240	2.4
215.14487	1.2
227.12770	5.9
235.13341	2.8
243.21007	5.8
249.14879	2.9
261.22131	25.4
267.15903	97.7
268.16177	1.8
279.23282	2.3
285.22052	1.5
301.14450	1.2
301.25223	6.2
309.17017	3.3
317.24857	3.4
335.25781	99.3
336.26178	3.7
407.24228	1.7
421.25757	3.1
427.69528	1.1
435.27133	2.2
435.32486	4.9
453.33539	8.9
471.35065	5.4
509.36594	1.9
527.37262	68.0
528.37494	4.0
545.38342	52.4
546.38696	2.8
559.40228	1.4
569.38538	5.0
635.39117	2.4
653.40155	1.5
714.65723	1.3
774.40527	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	775.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.05510	1.5
57.03445	2.1
61.02933	5.2
67.05518	4.9
69.03438	3.1
69.07065	1.1
70.30933	1.9
71.05009	3.2
71.72805	0.7
73.02934	1.7
79.05489	3.8
81.03422	6.4
81.07059	6.3
83.04994	1.6
83.08642	1.9
85.02917	4.7
85.06543	0.8
87.04494	0.7
89.54153	0.8
91.03987	2.8
91.05502	4.1
93.07056	3.7
95.04984	2.2
95.08638	2.8
97.02906	3.6
99.04484	1.0
101.02424	1.1
105.07073	2.9
107.08606	1.8
109.06588	1.1
109.10200	1.0
111.08169	1.5
119.08614	3.2
121.06500	0.9
121.10184	2.8
127.03980	1.5
129.07018	1.7
130.57286	0.7
131.08644	1.8
133.10158	1.8
147.11723	3.9
149.09633	2.0
157.10210	2.3
165.12831	0.8
175.11311	2.2
186.91116	0.9
193.12242	4.3
225.14912	1.0
243.08594	2.5
265.14142	1.8
267.15872	1.6
275.20135	1.3
283.15198	4.4
285.17163	1.5
286.17365	1.1
339.18018	1.3
349.23648	0.9
479.30002	1.2
483.22238	2.1
495.86392	0.8
501.23114	13.6
515.24725	6.7
535.12372	0.7
559.35870	0.9
594.97314	0.8
671.33075	1.9
715.36731	1.1
743.35425	1.6
757.35724	2.3
775.40881	100.0
776.41333	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	775.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05522	4.1
57.03445	3.7
57.07085	0.3
61.02932	4.4
65.03928	0.4
65.78614	0.4
67.05511	12.4
68.05851	1.3
69.03440	2.4
69.07071	5.0
69.81635	0.8
69.81999	0.7
71.01383	0.4
71.05004	1.5
73.02934	3.4
75.00091	0.4
79.05501	10.2
80.05836	0.8
81.03426	3.7
81.07062	14.6
82.07404	2.0
83.04990	2.1
83.08636	2.1
85.02913	3.8
85.06562	1.1
91.03963	1.9
91.05486	8.4
92.05818	0.6
93.07056	9.6
94.07400	1.6
95.04977	3.0
95.08620	6.2
96.05309	0.6
96.08976	1.2
97.02895	3.4
97.06536	2.6
97.10237	0.4
99.04496	0.7
101.02408	1.6
105.04589	0.6
105.07040	5.2
106.07352	0.4
107.04974	1.2
107.08614	4.8
108.08975	1.1
109.02911	0.9
109.06544	1.3
109.10163	2.4
111.08106	0.9
117.07050	2.1
119.08591	3.9
120.08942	0.5
121.06518	0.6
121.10168	2.5
122.10471	0.5
123.08116	1.0
123.11739	1.0
125.09712	0.5
127.03956	1.4
128.06230	0.5
129.05482	0.4
129.07027	1.5
131.08609	2.1
132.08965	0.7
133.06599	0.4
133.10150	2.8
134.10545	0.5
135.11726	2.5
136.08389	0.4
137.09657	1.1
139.11259	0.5
143.08591	1.1
145.04933	0.4
145.10182	1.3
147.11700	2.6
149.09688	1.2
149.13255	2.3
150.13684	0.7
151.11235	0.6
157.10120	0.4
159.11752	1.8
161.09726	0.4
163.11195	1.0
168.66316	0.4
171.11751	1.5
173.13361	0.4
177.12762	0.4
189.12909	0.4
193.12238	0.4
195.13866	1.4
196.14262	0.4
229.14404	0.5
243.08437	2.8
243.16077	0.5
247.13293	1.3
255.16008	0.8
256.16461	0.4
257.18927	0.6
267.15988	0.6
268.16446	0.6
269.17490	3.5
269.19852	0.4
270.17804	2.5
275.20160	1.1
276.20462	0.5
285.17227	0.4
291.19556	0.4
303.15909	0.5
333.20413	1.4
349.23938	1.3
350.24185	1.1
365.23627	0.4
369.65057	0.4
423.27798	0.8
424.27869	1.2
437.28604	0.6
439.19550	1.3
450.29279	0.8
453.21094	1.2
459.09824	0.5
463.30789	0.5
465.21024	8.2
480.30627	0.6
543.37421	0.5
544.37305	2.6
551.28339	5.6
552.28424	0.5
588.49060	0.4
613.37457	0.6
630.32568	0.5
750.05688	0.5
757.39154	0.4
775.42407	100.0
776.42596	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	775.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05522	4.1
57.03445	3.7
57.07085	0.3
61.02932	4.4
65.03928	0.4
65.78614	0.4
67.05511	12.4
68.05851	1.3
69.03440	2.4
69.07071	5.0
69.81635	0.8
69.81999	0.7
71.01383	0.4
71.05004	1.5
73.02934	3.4
75.00091	0.4
79.05501	10.2
80.05836	0.8
81.03426	3.7
81.07062	14.6
82.07404	2.0
83.04990	2.1
83.08636	2.1
85.02913	3.8
85.06562	1.1
91.03963	1.9
91.05486	8.4
92.05818	0.6
93.07056	9.6
94.07400	1.6
95.04977	3.0
95.08620	6.2
96.05309	0.6
96.08976	1.2
97.02895	3.4
97.06536	2.6
97.10237	0.4
99.04496	0.7
101.02408	1.6
105.04589	0.6
105.07040	5.2
106.07352	0.4
107.04974	1.2
107.08614	4.8
108.08975	1.1
109.02911	0.9
109.06544	1.3
109.10163	2.4
111.08106	0.9
117.07050	2.1
119.08591	3.9
120.08942	0.5
121.06518	0.6
121.10168	2.5
122.10471	0.5
123.08116	1.0
123.11739	1.0
125.09712	0.5
127.03956	1.4
128.06230	0.5
129.05482	0.4
129.07027	1.5
131.08609	2.1
132.08965	0.7
133.06599	0.4
133.10150	2.8
134.10545	0.5
135.11726	2.5
136.08389	0.4
137.09657	1.1
139.11259	0.5
143.08591	1.1
145.04933	0.4
145.10182	1.3
147.11700	2.6
149.09688	1.2
149.13255	2.3
150.13684	0.7
151.11235	0.6
157.10120	0.4
159.11752	1.8
161.09726	0.4
163.11195	1.0
168.66316	0.4
171.11751	1.5
173.13361	0.4
177.12762	0.4
189.12909	0.4
193.12238	0.4
195.13866	1.4
196.14262	0.4
229.14404	0.5
243.08437	2.8
243.16077	0.5
247.13293	1.3
255.16008	0.8
256.16461	0.4
257.18927	0.6
267.15988	0.6
268.16446	0.6
269.17490	3.5
269.19852	0.4
270.17804	2.5
275.20160	1.1
276.20462	0.5
285.17227	0.4
291.19556	0.4
303.15909	0.5
333.20413	1.4
349.23938	1.3
350.24185	1.1
365.23627	0.4
369.65057	0.4
423.27798	0.8
424.27869	1.2
437.28604	0.6
439.19550	1.3
450.29279	0.8
453.21094	1.2
459.09824	0.5
463.30789	0.5
465.21024	8.2
480.30627	0.6
543.37421	0.5
544.37305	2.6
551.28339	5.6
552.28424	0.5
588.49060	0.4
613.37457	0.6
630.32568	0.5
750.05688	0.5
757.39154	0.4
775.42407	100.0
776.42596	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	775.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05514	3.1
57.03440	2.4
61.02930	3.8
62.89483	0.3
67.05503	9.2
67.87687	0.3
68.05827	0.6
69.03436	3.0
69.07066	4.8
69.07405	0.5
70.07409	0.3
71.01357	0.5
71.04995	1.2
73.02926	2.3
79.05493	9.3
80.05859	0.6
81.03423	4.0
81.06577	0.4
81.07058	8.5
82.07416	1.0
83.04979	2.8
83.08621	2.0
84.08945	0.3
85.02905	4.4
85.06551	0.6
91.03957	2.2
91.05479	7.0
92.05847	0.6
93.07047	7.9
93.07602	0.6
94.07405	0.8
95.04974	2.6
95.08612	5.0
95.09218	0.4
96.05315	0.4
97.02893	3.6
97.03401	0.3
97.06528	1.6
97.10202	1.2
99.04478	1.0
99.08075	0.4
101.02374	1.4
105.04560	0.8
105.07025	4.7
107.04971	0.7
107.08582	4.6
108.08920	0.4
109.02946	0.6
109.06554	0.9
109.10172	2.2
111.08104	1.0
117.07015	1.8
119.08572	3.4
120.08947	0.4
121.06547	0.5
121.10141	1.8
123.08082	0.8
123.11713	0.6
125.09682	0.6
127.03936	1.0
129.07013	1.7
131.08569	1.9
132.08865	0.3
133.10136	3.2
134.10527	0.5
135.08109	0.9
135.11676	1.6
137.09615	0.7
143.08611	0.4
145.10088	1.7
147.07994	0.4
147.11682	2.6
149.09671	1.0
149.13322	1.1
150.13701	0.4
155.08606	0.4
157.10080	0.7
159.11749	1.1
160.12033	0.3
161.09686	0.4
161.13322	0.9
163.11192	1.0
171.11681	2.0
173.11682	0.4
173.13310	0.3
177.12787	0.4
184.07430	1.3
185.04234	0.5
189.12897	0.6
193.12360	0.9
194.12526	0.5
195.13882	1.2
203.05258	0.4
207.13898	0.4
211.13232	1.6
212.13770	0.5
221.11462	0.3
227.12798	0.6
243.08380	2.6
247.13194	1.2
259.20740	0.4
261.22247	0.3
267.15994	0.5
269.17429	2.1
270.17981	1.2
275.20139	0.6
276.20529	0.6
281.17630	0.5
285.17050	1.6
291.19604	0.4
301.09225	0.4
303.15952	0.6
304.00491	0.3
333.20544	1.9
349.23819	0.4
350.24194	0.8
394.84399	0.3
413.74521	0.3
424.27887	0.6
439.19186	0.8
453.21109	0.9
465.20972	9.8
466.21133	0.5
467.18906	0.7
479.29962	0.5
480.30762	0.6
519.33673	0.4
543.37000	0.4
544.37378	1.4
545.38074	0.5
546.34351	0.3
551.28265	4.1
560.36676	0.8
578.37671	0.4
595.36316	0.4
699.27454	0.3
757.38251	0.4
775.42346	100.0
776.42493	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	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46764	0.5
55.01882	1.3
55.05514	5.1
55.10411	0.4
57.03436	3.7
57.13810	0.4
61.02930	4.6
65.03950	0.7
65.81850	0.5
67.05508	11.6
68.05850	1.2
69.03436	4.0
69.07069	4.8
71.01373	0.6
71.05006	1.8
73.02927	2.6
77.03919	0.5
79.05494	11.6
80.05834	1.1
81.03414	4.6
81.07054	12.8
82.07407	0.8
83.04982	2.5
83.08630	3.4
85.02920	4.4
86.09720	0.8
91.03949	2.4
91.05479	9.4
92.05829	1.2
93.07043	9.9
94.07401	1.3
95.04959	4.0
95.08606	6.2
96.08965	0.7
97.02892	4.5
97.06569	2.0
97.10202	1.7
98.06837	0.6
99.04470	1.5
99.08086	0.5
101.02402	1.9
105.04550	0.9
105.07034	8.1
106.07335	0.5
107.04990	2.3
107.08590	5.6
108.08941	1.1
109.02916	0.7
109.06555	1.5
109.10152	3.2
111.08086	0.8
115.03922	0.6
117.07024	3.0
119.08589	5.0
120.08940	0.9
121.10136	3.0
122.10483	0.6
123.08102	1.0
123.11725	0.9
124.12098	0.6
124.62379	0.6
124.99997	0.6
125.09690	1.2
127.03858	1.0
128.06305	0.6
129.06995	3.1
131.08582	2.3
132.08916	0.8
133.06496	0.6
133.10132	5.1
134.10515	0.9
135.08064	0.7
135.11681	2.5
136.12068	0.6
137.09593	0.6
143.08603	1.5
144.71906	0.6
145.10110	2.4
147.11690	3.6
148.12062	0.7
149.09602	1.0
149.13255	1.2
150.13644	0.9
151.11264	1.0
157.10225	0.9
159.11792	1.6
161.13353	1.3
163.11322	1.4
171.11740	2.0
173.11838	0.5
175.14867	0.5
184.07439	2.2
185.04282	0.6
185.13254	0.6
189.12801	0.7
193.12375	0.7
195.13853	1.0
196.14310	0.6
199.72044	0.5
203.05379	0.5
207.13676	0.7
220.08191	0.5
223.13422	0.5
227.12930	0.8
243.08479	3.1
247.13107	1.2
253.14551	1.0
254.14853	0.6
257.19238	0.6
259.20776	0.6
267.15985	1.1
269.17484	3.3
270.17957	1.2
275.20123	1.2
276.20511	0.8
281.17838	0.6
285.16983	1.3
291.19525	0.8
333.20483	1.7
349.23846	1.1
350.24319	1.3
385.21695	0.5
424.27798	0.8
465.20959	11.9
466.20932	0.5
467.18839	1.2
479.29761	0.6
480.30872	0.6
534.35101	0.8
537.22150	0.5
543.36896	0.9
544.37543	1.4
551.28662	3.4
560.36957	1.8
578.37274	1.2
581.26196	0.6
689.35199	1.0
775.42145	100.0
776.42615	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	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59706	0.4
55.01732	0.5
55.01950	0.7
55.05325	1.8
55.05631	3.9
57.03261	1.2
57.03568	2.8
58.29304	0.4
61.02731	1.7
61.03082	2.7
65.03791	0.5
65.04075	0.7
67.05289	6.4
67.05695	7.7
67.60426	0.4
67.89175	0.3
68.05687	0.4
68.05993	0.6
69.03204	1.4
69.03645	1.6
69.06847	1.4
69.07273	1.5
69.55309	0.5
69.55656	1.4
71.01156	0.8
71.01558	0.7
71.04783	0.7
71.05188	0.8
73.02695	1.7
73.03150	1.7
79.05252	7.1
79.05775	5.6
80.05602	0.8
80.06013	0.4
81.03168	1.9
81.03696	1.4
81.06808	6.7
81.07355	4.8
82.07195	0.8
82.07614	0.5
83.04746	1.1
83.05269	0.5
83.08372	1.4
83.08920	1.1
85.02656	3.6
85.03229	2.3
87.04274	0.7
91.03690	1.8
91.04330	0.9
91.05221	7.2
91.05863	3.8
93.06775	7.5
93.07443	3.8
93.62856	0.4
94.07166	0.8
95.04688	2.1
95.05356	1.1
95.08334	4.9
95.09014	2.3
96.08720	0.6
97.02624	3.4
97.03333	1.6
97.06333	0.8
97.06845	0.4
97.09898	2.1
97.10583	0.6
99.04231	0.5
101.02155	0.9
101.02766	0.8
103.03736	0.5
105.04327	0.6
105.06741	3.9
105.07522	1.5
107.04648	1.3
107.08296	4.8
107.09111	1.6
108.08700	0.8
109.02646	0.9
109.03300	0.4
109.06259	0.9
109.09867	3.6
109.10680	1.2
110.10228	0.4
111.04203	0.4
111.07854	0.7
111.12939	0.4
117.06709	1.6
117.07584	0.7
119.08270	3.2
119.09184	1.2
121.09827	1.9
123.07809	0.8
123.11472	0.6
125.09299	1.5
125.10194	0.8
127.03608	1.2
129.06688	1.2
129.07558	0.5
131.08243	1.5
133.09798	2.5
133.10875	0.9
135.07829	0.7
135.11359	1.5
137.09341	0.7
137.10291	0.5
139.10927	0.5
143.08211	1.2
143.09273	0.5
145.09756	1.9
147.11333	4.1
147.12593	0.5
149.09375	0.5
149.12978	0.9
157.09705	0.4
159.11411	0.7
161.09364	0.7
161.12878	2.0
163.10846	0.6
171.11328	3.0
173.11414	1.1
173.12889	0.8
184.07045	1.0
185.03946	0.7
189.12329	1.1
197.57314	0.4
199.12971	0.7
203.04974	0.7
207.13606	0.9
209.11469	0.4
225.10805	0.6
227.12503	0.5
229.13950	2.6
239.17780	0.4
243.08424	3.2
243.20837	0.5
247.13010	4.8
261.21741	1.6
262.22079	1.3
267.15561	0.5
273.14307	0.5
281.17065	1.2
287.15964	0.5
299.14865	5.5
300.15158	3.3
301.08652	0.8
301.16098	1.2
303.15240	1.4
335.25797	8.2
336.26141	4.3
369.14862	0.4
423.38348	0.4
465.20953	33.9
466.21194	2.1
477.35706	0.8
489.35455	1.5
525.88007	0.4
527.29425	1.7
533.26929	0.6
537.22864	0.5
542.35449	0.7
543.36230	0.6
551.27899	1.9
555.28784	0.6
559.36041	0.9
560.36572	3.0
561.37347	0.9
659.34088	1.7
661.35168	0.8
677.34827	3.1
678.35681	0.6
688.34369	0.9
689.35010	100.0
690.35309	7.8
757.41168	10.1
758.41870	1.3
775.42114	30.9
776.42419	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.2
55.05508	30.1
55.61454	2.5
57.03437	15.9
60.08168	4.3
61.02948	2.6
61.36208	3.3
65.03963	2.9
67.05503	86.8
69.03431	4.4
69.07066	30.5
71.04997	6.5
71.07388	3.6
79.05495	51.7
81.03426	12.6
81.06567	4.9
81.07053	97.4
83.04959	6.2
83.08612	21.9
85.02916	4.4
85.06548	6.7
86.09693	30.5
91.03935	3.5
91.05474	38.4
93.07043	74.9
95.04965	16.0
95.08601	29.0
97.02862	4.4
97.06551	13.6
97.10173	8.0
98.98483	3.2
99.08089	4.5
104.10764	5.8
105.07027	23.7
107.04959	6.4
107.08598	46.7
109.06519	7.4
109.10162	28.8
111.08102	10.3
113.09652	3.1
117.07024	18.3
119.08559	17.7
121.06536	5.3
121.10152	24.8
123.08057	2.9
123.11708	5.9
125.00037	16.2
125.09615	5.6
129.07002	5.6
131.08566	20.2
133.10132	23.6
135.11678	14.4
139.11209	3.3
145.10117	8.7
147.11703	9.6
149.09631	8.8
149.13223	24.8
155.88380	3.0
157.10184	3.6
157.61995	2.6
159.11699	17.5
163.11244	5.6
169.10217	3.0
173.11790	5.6
173.13217	5.0
177.12794	4.9
184.07330	100.0
195.13844	8.2
227.12753	11.9
229.14305	15.1
251.16461	3.2
255.39139	3.0
257.18988	6.4
267.15848	3.5
269.10538	4.4
269.17487	71.8
275.20068	23.8
299.19678	3.0
349.23816	18.7
367.24835	8.4
409.24948	3.1
423.27417	51.0
445.29364	3.6
463.30579	98.3
464.30862	3.9
525.35510	6.3
543.36884	61.1
544.36816	4.8
561.37848	25.8
607.34839	4.9
776.40601	8.5
777.40002	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	776.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
55.05512	38.9
57.03437	18.0
57.07066	3.4
59.04992	3.9
61.02922	7.1
65.03934	4.4
67.05505	100.0
69.03430	4.8
69.07070	18.2
70.67895	0.9
71.01351	1.7
71.05006	5.7
73.02910	3.2
77.03922	1.5
79.05494	47.7
80.05845	1.0
80.98365	0.8
81.03413	7.6
81.07057	59.1
82.07396	1.6
83.04986	5.5
83.08625	14.7
85.02909	14.5
85.06536	3.6
87.04478	6.8
91.03915	1.6
91.05482	30.6
93.07048	43.0
95.04977	8.9
95.08608	41.8
95.09219	2.1
96.08939	1.2
97.02882	5.3
97.06536	5.4
97.10162	20.8
103.03934	1.1
105.04523	2.0
105.07026	15.9
107.04961	1.6
107.08593	27.9
109.02936	1.1
109.06522	3.2
109.10159	52.6
110.10471	1.5
111.04424	1.4
111.08078	4.3
115.05455	1.2
117.07004	8.6
119.08588	15.4
120.08879	1.0
121.06481	1.4
121.10149	20.6
123.08082	2.1
123.11716	4.7
125.09632	17.3
127.36481	0.8
129.07016	2.4
130.89067	1.0
131.08577	12.8
133.10126	11.9
135.08054	1.4
135.11694	13.3
137.08606	1.1
137.09612	3.3
137.13243	1.7
139.11185	3.0
143.08580	1.3
143.10643	2.9
145.10129	8.6
147.08032	1.6
147.11690	8.7
149.09616	2.8
149.13246	6.0
153.09048	0.9
153.12730	1.4
155.08632	1.4
155.10631	3.1
157.10114	1.4
159.11725	6.8
161.13255	4.8
163.11186	3.3
163.14804	1.7
169.10088	1.4
171.11717	2.0
173.11739	12.5
173.13260	4.3
173.24303	0.9
175.11205	1.2
175.14848	1.5
177.12788	1.1
177.16423	1.3
181.12180	1.2
183.11746	1.0
184.07420	1.6
185.13304	0.9
187.14850	3.1
189.11299	1.2
191.10658	1.2
193.12289	2.4
199.13313	9.5
199.14926	1.6
201.16412	1.4
209.11584	2.0
211.13310	1.3
215.17824	1.3
217.14337	1.3
227.12793	6.8
229.14345	39.9
243.08470	1.3
243.21056	3.6
245.13799	2.1
259.20428	1.9
261.22107	11.7
262.22678	1.4
267.15805	4.4
269.17392	1.4
271.20599	1.4
277.21573	1.3
283.15378	1.9
289.21686	1.4
299.14670	1.7
301.16452	16.9
305.21341	0.8
315.23178	1.8
317.24631	2.1
327.23111	1.5
333.23959	1.0
335.25793	75.3
336.26050	4.1
363.25034	1.0
389.26306	0.9
459.34720	2.1
465.20813	4.0
466.21289	6.4
467.21567	1.0
477.35745	9.5
489.35785	13.4
543.36816	4.1
561.37866	9.4
579.38605	2.0
689.35669	4.5
690.35504	30.0
691.35748	2.2
758.41162	3.6
776.42328	11.1
777.39307	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	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05514	46.4
57.03180	1.2
57.03442	18.1
57.07067	3.4
59.04993	3.2
61.02925	5.2
65.03938	4.1
67.05506	100.0
68.05824	1.4
69.03427	4.6
69.07071	19.2
69.25591	3.2
69.26011	1.9
71.01353	1.6
71.04980	4.0
71.08630	1.4
73.02927	1.7
77.03923	1.2
78.98846	0.8
79.05496	53.0
81.03423	7.1
81.07058	65.2
82.07339	1.0
83.04988	7.1
83.08620	17.3
85.02902	14.0
85.06535	2.8
86.09704	1.1
87.04478	6.5
91.05484	30.6
93.07047	49.0
95.04975	9.2
95.08609	46.4
95.09115	0.6
97.02879	4.4
97.06551	4.7
97.10168	23.1
99.08096	1.3
103.03918	1.3
105.04474	2.4
105.07036	16.5
107.04942	2.9
107.08597	32.2
108.70213	1.0
109.06523	3.6
109.10159	51.9
111.04443	1.6
111.08069	2.5
115.05451	1.6
117.07008	6.6
119.08585	15.1
119.63499	1.0
121.06548	1.0
121.10149	22.7
123.08053	2.8
123.08907	0.8
123.11710	5.3
125.09631	21.3
125.10512	1.6
129.06984	2.9
130.07799	1.1
131.08556	11.6
133.10104	8.8
135.08049	2.4
135.11699	12.6
137.09607	3.8
137.13245	1.4
139.11154	2.4
143.08574	2.4
143.10696	4.3
145.10103	8.9
147.08047	1.1
147.11716	6.3
149.09618	2.7
149.13269	5.5
151.11192	1.4
153.12766	2.5
155.10637	2.2
157.10239	1.7
159.11694	4.1
161.09610	1.5
161.13268	6.3
163.11180	6.0
163.14830	3.2
165.12759	1.8
169.10233	1.3
171.11684	2.4
173.09587	1.3
173.11729	10.4
173.13249	6.4
175.11270	1.1
175.14873	1.9
177.12849	1.2
181.12224	1.8
184.07336	3.9
187.11081	1.0
187.14806	3.4
189.11229	2.2
191.10678	2.0
193.12228	3.1
199.13278	9.2
203.12744	1.5
203.14459	1.0
209.11600	4.4
217.14343	1.7
227.12720	5.8
229.14342	37.5
241.14227	1.1
243.21101	3.7
245.13898	2.6
256.43759	1.0
257.13922	1.1
259.20563	3.4
261.22137	12.6
267.15817	5.3
275.20175	1.4
277.21600	2.7
283.15479	2.2
289.21576	1.2
299.23639	0.9
301.16467	21.6
306.82748	0.9
317.24725	2.4
319.17746	1.5
327.23163	1.4
333.24255	2.5
335.25806	72.9
336.26129	2.7
351.25250	1.2
363.25305	3.3
451.32004	2.2
459.34634	2.0
462.96997	1.0
469.32867	1.4
477.35767	13.2
487.34070	1.2
489.35806	13.8
505.35403	1.2
525.35529	1.6
543.36902	5.2
552.28192	1.2
561.37860	13.1
579.38678	6.0
776.42743	7.1
777.41669	3.3
794.00177	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	776.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
55.05519	25.9
56.45847	1.4
56.64856	1.2
57.03443	16.7
57.07077	5.5
65.03957	2.7
67.04089	1.5
67.05510	60.3
69.07078	25.2
69.66993	6.0
71.04984	3.2
71.08632	2.0
76.71861	1.6
79.05502	28.3
81.03424	75.5
81.07060	59.9
83.04983	5.7
83.08628	26.9
85.06550	3.9
91.05484	25.3
93.07047	22.4
95.04986	24.0
95.08615	40.2
97.02900	3.1
97.06539	4.0
97.10179	9.0
105.07041	15.8
107.04959	6.3
107.08608	14.3
109.06516	3.2
109.10166	15.6
111.04446	2.3
111.08117	6.7
115.05428	1.5
117.07023	3.7
119.08587	17.1
121.06511	3.3
121.10148	11.8
123.08094	3.3
123.11736	6.4
125.09647	2.2
129.07011	9.8
131.08563	8.3
133.06538	2.5
133.10159	9.9
135.11720	6.9
137.09680	2.3
137.13229	2.2
142.07797	2.9
145.10156	5.0
147.08112	2.5
147.11719	8.5
149.09630	6.2
149.13258	4.3
157.10124	9.2
159.11798	1.5
161.13303	2.9
163.11189	2.0
163.14946	2.6
165.12659	1.3
175.11255	7.4
175.14828	1.8
184.07365	4.3
193.12241	20.5
211.13290	2.6
226.29044	1.4
227.12822	3.9
245.22810	1.8
249.14822	2.1
263.23706	5.9
265.10049	1.4
267.15921	100.0
268.16238	2.9
298.14230	1.4
303.26825	3.1
309.16940	2.2
337.27396	93.8
338.27740	2.6
343.22501	1.7
421.25766	2.2
455.35263	5.6
473.36172	3.8
529.38916	83.3
530.39258	5.2
547.39941	53.6
547.48254	2.6
548.39880	3.5
561.41467	5.2
571.39832	5.1
637.40546	1.9
672.40973	2.9
751.57074	1.6
776.41156	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	777.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.7
57.31101	0.4
60.33238	0.3
66.10914	0.4
70.06612	0.5
71.19199	0.5
81.07109	0.4
85.02883	0.5
97.02931	0.5
98.23198	0.5
112.99197	0.5
131.00253	0.4
133.04900	0.5
154.43347	0.4
249.08035	0.6
267.09045	5.9
285.10110	4.5
293.05551	0.7
309.10178	0.6
342.60388	0.4
413.18512	0.5
485.16971	3.1
553.00476	0.4
677.28387	1.8
699.35437	2.5
777.36743	100.0
778.37073	6.6
788.83673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
57.03438	1.8
59.04962	1.0
59.10325	0.3
61.02925	4.2
67.05502	7.1
69.03430	3.0
69.07038	0.5
69.28591	1.9
71.01320	0.4
71.04986	1.9
73.02917	3.5
79.05482	2.2
81.03426	4.0
81.07076	2.4
83.08580	1.0
83.74487	0.3
85.02903	4.7
85.06526	0.6
87.04420	0.7
91.03957	2.6
91.05474	2.7
93.07012	1.6
95.04929	1.2
95.08581	1.1
97.02883	4.1
97.06511	0.5
99.04408	0.6
99.08092	0.3
101.02338	1.4
103.03928	0.5
104.99290	0.3
105.06982	1.4
107.08561	1.2
109.02854	1.0
109.10155	6.8
109.69980	0.4
111.08024	0.7
115.03900	0.4
119.08559	1.2
121.10170	1.7
127.03856	1.3
129.05493	0.6
129.07048	0.5
131.08540	1.1
133.10083	1.0
137.09604	0.5
147.08006	0.4
147.11662	1.1
149.09642	1.7
155.10614	0.6
157.10094	1.1
173.11720	2.2
175.11145	1.0
177.24725	0.4
185.04146	0.7
193.12210	1.6
195.09914	1.0
203.05292	0.4
225.14795	0.7
229.14372	1.6
243.08412	2.1
251.12578	0.4
267.15884	1.1
283.15143	5.1
302.98096	0.4
339.17831	1.5
413.17804	17.0
469.19812	0.5
501.23059	18.8
502.22791	0.8
511.28992	1.3
517.23041	0.5
529.22473	0.4
571.26154	0.4
608.10577	0.4
634.44293	0.4
673.34125	100.0
674.34760	3.9
731.37927	0.6
759.37653	0.9
777.38757	21.4
778.39191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05505	0.8
57.03439	1.2
57.96980	0.3
59.04995	0.6
61.02935	3.9
67.05514	4.8
69.03435	1.6
69.07072	0.4
71.04992	1.3
73.02921	2.1
75.94259	0.3
79.05505	1.5
81.03423	2.9
81.07059	2.6
83.08635	0.9
85.02922	3.6
87.04490	0.6
91.03957	2.1
91.05489	2.1
93.07065	1.5
95.04995	1.1
95.08629	1.0
97.02906	4.0
98.23207	2.3
99.04474	0.6
99.37520	0.3
101.02396	1.5
103.27104	0.4
105.07032	0.8
107.08602	0.8
109.02888	0.5
109.10159	4.4
111.08096	0.4
119.08602	1.1
121.10155	1.3
127.03964	1.2
129.07036	0.6
131.08600	0.9
133.10155	0.7
137.09607	0.4
147.11705	0.8
149.09622	1.0
155.10670	0.5
157.10184	0.8
173.11824	1.7
175.11255	0.6
185.04289	0.5
193.12285	1.4
195.10059	0.8
203.05348	0.6
225.14850	0.5
229.14445	1.4
243.08383	2.0
267.16043	0.7
283.15201	3.6
298.95313	0.4
339.17978	0.9
377.77847	0.4
413.17801	12.1
414.18436	0.4
441.20505	0.4
499.45502	0.4
501.23068	13.6
502.23187	0.5
511.28976	1.0
673.34076	100.0
674.34277	5.2
731.37970	0.4
759.37610	0.9
777.38586	10.3
778.38983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
57.03436	2.4
59.04995	1.4
61.02933	3.7
67.05502	4.5
69.03436	3.4
69.07104	1.0
69.52846	4.0
70.06604	3.1
71.04994	1.9
72.22308	0.8
73.02934	3.3
79.05481	4.5
81.03407	4.5
81.07067	4.1
83.08622	1.0
85.02905	5.5
91.03971	3.5
91.05508	3.1
93.07039	4.9
95.04990	2.3
95.08636	2.0
97.02917	3.4
97.06548	1.1
99.04499	1.5
101.02400	1.6
105.07043	1.9
107.04955	1.0
107.08592	1.8
109.02888	1.0
109.10194	0.9
119.08625	1.8
121.10160	3.1
127.03993	1.0
131.08533	1.1
133.10188	1.8
135.11736	1.0
139.11147	1.0
147.11772	1.3
149.09685	2.0
175.11259	1.7
193.12317	1.8
243.08536	2.3
267.12027	1.9
267.16217	1.4
283.15158	5.2
299.14822	1.2
323.68994	0.9
413.17749	1.1
443.18176	0.9
457.20648	2.2
459.07990	0.9
485.20142	9.4
499.21515	1.1
501.23087	16.3
517.22571	1.3
717.36157	1.0
745.36176	8.3
759.37268	1.5
777.38879	100.0
778.39417	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	777.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
55.05517	2.3
56.42464	0.5
57.03452	2.1
58.08179	0.4
60.93064	0.4
61.02934	3.2
65.03937	0.5
67.05513	6.2
69.03432	2.6
69.07073	3.6
69.37971	1.7
71.05009	1.8
71.07378	0.6
73.02920	3.0
79.05490	5.7
81.03436	3.1
81.07061	6.3
82.07423	0.7
83.04993	0.9
83.08643	1.6
85.02914	4.2
86.09724	1.1
91.03992	1.3
91.05486	4.4
93.07058	5.2
94.07413	0.6
95.05006	1.4
95.08628	4.4
97.02914	3.6
97.06550	1.2
97.10179	0.9
98.22765	0.8
98.23392	1.1
99.04429	0.5
99.08117	0.7
101.02409	1.2
105.07045	2.8
107.04984	0.8
107.08611	3.5
109.02895	0.8
109.06551	0.9
109.10175	1.6
111.08131	0.6
111.81821	0.4
117.07074	1.4
119.08615	2.1
121.06520	0.7
121.10176	1.6
123.11777	0.6
125.00043	1.6
125.09615	0.6
127.03891	0.9
129.07050	1.0
131.08589	1.2
133.10178	1.9
135.11707	4.0
137.09618	0.4
145.10127	2.7
147.11714	1.0
157.10199	0.8
163.11214	4.0
181.12398	0.5
184.07370	5.6
185.07762	0.6
189.11400	0.7
193.12312	0.9
203.05406	0.6
211.13411	1.4
219.09973	0.4
227.12779	3.2
240.82495	0.4
243.08405	2.3
249.11021	5.7
268.16357	0.5
285.17117	0.9
286.17276	0.7
305.13708	2.0
320.73987	0.5
333.20593	1.5
353.23697	0.4
389.22839	0.6
410.26260	0.5
439.19699	1.1
453.20993	0.7
467.18997	10.6
469.20905	1.2
530.35480	0.6
539.21582	0.7
544.37164	0.6
551.28235	6.0
562.38232	2.3
615.35443	0.5
777.40320	100.0
778.40460	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	777.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05514	2.5
57.03440	2.9
59.04999	0.5
61.02929	5.3
64.94981	0.4
67.05511	5.8
69.03443	3.2
69.07058	2.3
71.05003	1.7
73.02926	4.0
78.72729	0.4
79.05506	4.4
79.63145	0.4
81.03424	3.8
81.07059	5.6
81.07491	0.4
83.01362	0.4
83.05006	1.3
83.08636	1.3
85.02917	3.5
85.06562	0.7
86.09740	1.5
91.03947	2.2
91.05492	5.7
93.07050	5.3
95.04968	2.6
95.08623	3.2
96.37758	0.4
97.02896	4.3
97.03389	0.4
97.06549	0.9
97.10212	0.8
98.22716	1.2
98.23405	1.6
99.04447	1.1
99.08118	0.5
101.02420	1.8
103.03979	0.5
105.07052	2.9
107.04997	0.8
107.08611	3.1
109.02912	0.9
109.06522	1.1
109.10170	2.0
117.07053	1.5
119.08590	2.9
121.10178	1.6
123.08098	1.0
125.00012	0.6
127.03962	1.6
129.07065	0.8
131.08607	2.0
133.10124	2.8
135.11742	1.8
137.09644	1.0
145.09055	0.5
145.10159	1.4
147.11693	1.1
149.09697	0.9
149.13248	0.5
151.11249	0.7
155.08499	0.5
155.21971	0.4
157.10225	0.6
163.11220	1.7
165.12706	0.4
169.84286	0.4
184.07355	5.2
184.08609	0.4
193.12332	0.5
209.11861	0.5
227.12852	0.5
243.08453	3.1
249.11179	0.7
253.14439	0.5
254.14781	0.7
269.17459	0.5
275.20267	0.6
283.15771	0.8
331.18686	0.6
333.20465	1.0
400.88428	0.4
439.19476	0.9
453.21002	0.9
467.18851	6.4
469.20425	3.1
527.53210	0.5
533.27173	0.6
544.36920	0.6
546.34723	0.6
549.26636	1.1
551.28314	3.0
759.76953	0.6
777.40308	100.0
778.40759	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	777.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05517	1.0
57.03447	2.2
61.02931	4.0
67.05502	3.6
69.03427	2.4
69.07070	1.3
71.01363	0.4
71.04980	0.6
71.27954	0.3
73.02927	3.0
79.05486	2.4
81.03425	3.3
81.07056	3.2
83.04993	1.2
83.08630	1.2
85.02907	5.1
87.04449	0.4
91.03957	2.1
91.05484	3.8
93.07045	2.6
95.04978	2.2
95.08615	1.8
97.02900	3.9
97.06541	0.4
99.04459	0.6
101.02415	1.2
105.07049	2.5
107.04965	1.0
107.08614	1.3
109.02885	0.6
109.06540	1.1
109.10187	0.5
111.08078	0.4
117.07026	0.5
119.08570	1.6
121.10149	0.6
123.08090	0.4
127.03928	1.0
129.07037	1.2
131.08598	1.3
133.06537	0.5
133.10118	1.6
135.11765	0.5
143.16124	0.4
147.11696	1.1
149.09679	0.7
151.11189	0.4
157.10208	1.0
175.11244	0.9
184.07382	0.8
185.04248	0.5
193.12292	1.4
203.05302	0.4
211.13400	1.0
222.60968	0.3
243.08282	2.3
251.12706	0.5
285.17093	0.4
301.08923	0.4
313.17645	0.7
331.18839	1.7
336.25558	0.4
337.98544	0.3
357.15466	0.4
396.10364	0.4
431.14297	0.4
451.19669	0.5
469.13843	0.3
469.20456	8.9
470.21017	0.7
531.26050	0.7
541.22626	1.0
549.26678	1.3
679.32928	1.7
708.33612	0.4
743.81982	0.3
759.39130	6.6
760.39807	0.5
777.40118	100.0
778.40460	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	777.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05510	2.1
57.03436	2.1
61.02924	3.6
65.03955	0.4
67.05504	4.4
68.05830	0.3
69.03426	2.9
69.07079	3.0
69.78934	0.5
71.01334	0.5
71.05003	1.1
71.07409	0.3
73.02911	3.2
73.03251	0.4
79.05494	3.6
80.05837	0.3
81.03414	3.8
81.07053	4.6
83.04980	1.5
83.08620	1.9
85.02906	4.7
85.06568	0.3
86.09715	0.9
87.04474	0.4
91.03954	2.3
91.05481	3.9
93.07047	3.2
94.07404	0.5
95.04964	1.9
95.08610	1.7
97.02892	3.8
97.06529	0.7
97.10179	1.0
99.04459	0.9
99.08082	0.4
99.28301	0.3
101.02402	1.2
103.84562	0.3
105.04517	0.3
105.07018	2.6
107.04946	0.7
107.08598	2.0
109.02939	0.6
109.06553	0.9
109.10137	1.4
111.08118	0.6
117.07017	0.8
119.08537	1.8
120.08925	0.3
121.06484	0.3
121.10169	1.2
123.08095	0.5
124.99977	0.7
125.09642	0.9
127.03928	1.2
128.06238	0.3
129.06967	0.6
131.08601	1.5
133.06509	0.3
133.10127	1.9
135.11731	1.2
145.10144	0.9
147.11691	1.5
149.09616	0.7
149.13181	0.3
153.12772	0.3
157.10182	0.8
159.11652	0.3
161.13263	0.6
163.11212	0.8
175.11287	0.5
184.07344	3.0
185.04230	0.5
185.07828	0.3
193.12302	1.2
223.13301	0.8
243.08383	3.3
251.12666	0.7
275.20078	0.4
285.17120	0.4
291.19598	0.9
307.15256	0.5
331.18805	1.0
333.20374	0.7
423.47467	0.4
453.21155	0.8
467.18851	2.3
469.20416	5.8
526.36261	0.3
544.36926	0.5
549.26654	2.6
551.28363	1.9
665.35516	0.4
777.40228	100.0
778.40405	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	777.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05532	2.3
57.03437	2.1
57.07079	1.2
58.97523	0.5
61.02922	4.0
67.05502	4.5
68.05852	0.6
69.03432	2.3
69.07070	3.5
70.06602	0.8
71.01364	0.6
71.04997	0.5
73.02917	3.1
75.22663	0.4
79.05489	3.8
81.03421	1.6
81.07060	6.0
81.90472	0.4
82.07378	0.6
83.04998	1.3
83.08644	1.3
85.02910	4.0
85.06544	0.6
85.96233	0.4
86.09730	1.1
87.04503	0.4
91.03961	2.9
91.05470	3.6
92.05817	0.6
93.07048	3.6
94.07382	0.7
95.04975	1.3
95.08607	2.4
97.02895	3.7
97.06525	1.0
97.10170	0.6
98.98439	0.4
99.04442	1.1
101.02394	1.3
103.03946	0.5
105.07029	3.4
106.07364	0.6
107.04984	0.8
107.08595	2.4
109.02896	0.6
109.06518	0.5
109.10199	1.6
110.06880	0.4
115.57797	0.4
117.05520	0.8
117.07021	1.1
118.35572	0.5
119.08611	1.7
121.10187	1.4
123.08170	0.4
127.03115	0.5
127.03944	1.8
129.05521	2.0
131.08557	1.1
133.06537	0.5
133.10155	1.8
134.10464	0.4
135.08041	0.4
135.11703	1.4
145.04999	0.5
145.10107	0.6
147.11711	1.0
149.09644	1.0
149.13310	0.5
159.11740	1.0
161.13239	0.5
163.11276	0.5
173.11874	0.5
184.07314	3.5
185.04204	4.3
185.07727	0.5
198.94037	0.5
199.05855	0.5
201.03763	1.2
203.05400	0.8
241.06870	0.8
243.08351	5.3
259.08029	0.6
263.17224	0.5
267.12115	0.5
269.17465	1.1
301.08914	12.0
313.09036	0.9
315.10452	3.5
315.19293	8.3
315.22690	0.6
327.10736	1.0
329.12192	0.6
341.12195	1.3
343.13977	0.5
355.13828	1.5
355.22415	2.3
357.15381	2.0
369.15439	0.9
371.16888	1.2
371.22055	0.9
373.11151	3.9
383.16800	2.7
385.18304	6.0
387.12692	1.1
413.18094	0.8
413.23126	2.7
415.15466	0.6
427.24783	1.0
429.17477	1.8
435.20120	0.6
443.18484	0.5
455.18765	0.9
457.20663	1.5
459.23669	1.2
464.31238	1.1
467.19370	0.9
469.20670	1.5
481.20508	1.5
485.19693	1.2
495.22086	6.4
497.32559	2.0
513.26611	0.7
533.27197	9.8
534.28650	0.6
537.26154	0.6
543.32819	0.8
544.37482	0.5
549.26642	1.2
563.24579	1.4
565.29980	1.4
579.31274	3.2
591.04053	0.5
592.28522	4.4
605.29144	5.7
619.31482	1.3
633.32312	2.0
634.33533	0.6
635.32581	0.5
647.34174	1.9
661.34821	0.8
663.33533	1.9
675.36938	3.9
676.37524	4.1
691.33173	0.6
693.37885	1.2
717.38177	1.0
731.39709	0.7
732.40070	0.6
759.39868	2.1
760.39374	1.4
777.40033	100.0
778.40228	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	777.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27213	0.5
55.01866	1.1
55.05513	8.3
56.05858	0.9
57.03437	4.0
57.07065	0.8
59.05006	0.7
61.02929	5.0
65.03947	0.7
67.05505	19.6
68.05833	1.9
69.03423	3.5
69.07070	4.2
69.70826	1.9
71.01344	0.6
71.04990	4.3
73.02906	3.0
77.03934	0.6
79.05492	9.2
80.05833	2.0
81.03405	2.9
81.07056	14.8
82.07383	1.8
83.04993	1.7
83.08630	4.4
84.08933	0.6
85.02903	5.8
85.06520	0.6
87.04471	1.2
91.03961	2.8
91.05476	8.9
92.05814	1.0
93.07050	11.8
94.07366	1.3
95.04981	2.0
95.08602	8.9
96.08957	0.9
97.02891	4.2
97.06539	1.8
97.10174	4.1
98.10499	0.7
99.08091	0.6
101.02402	1.6
103.03989	0.6
105.07039	5.2
106.07324	0.5
107.04967	1.4
107.08588	5.5
108.08956	1.2
109.02870	1.0
109.06464	0.9
109.10162	8.1
110.10516	2.0
111.08066	0.8
115.03973	0.7
117.07023	1.6
119.08601	4.6
120.08887	0.6
121.10128	4.1
122.10487	1.2
123.08049	0.7
123.11700	1.7
125.09615	3.0
127.03919	1.6
131.08577	3.3
132.08858	0.7
133.10132	4.5
134.10478	0.6
135.11647	2.5
137.09608	0.5
139.11143	0.8
145.10095	2.0
147.11710	1.7
148.11974	0.7
149.09659	1.6
149.13269	2.1
151.11215	1.6
159.11705	2.1
161.13310	0.9
163.11165	1.6
173.11774	2.2
173.13196	0.6
177.12717	0.7
179.14253	0.6
183.13924	0.7
184.07382	1.3
185.04225	0.6
191.50587	0.5
196.18144	0.5
199.13301	0.8
211.13416	0.5
218.22343	0.5
227.12801	1.4
229.14359	4.7
230.14743	1.3
243.08418	3.2
261.22174	1.7
267.15652	1.1
269.17557	0.7
301.16388	3.1
302.16821	1.5
315.19296	3.5
335.25787	7.6
336.26166	7.3
371.21658	0.8
478.36435	0.9
485.23514	10.3
489.35837	1.0
490.35843	1.2
533.27075	5.8
562.38123	1.6
731.39221	2.0
777.43854	100.0
778.44800	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	777.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.03441	3.1
57.07080	1.0
61.02927	6.1
67.05508	5.7
67.77236	0.9
69.03428	3.9
69.07065	2.0
71.01341	0.7
71.05000	1.2
73.02917	4.9
79.05489	4.8
81.03426	3.3
81.07061	6.0
82.32517	0.7
83.05014	1.2
83.08616	0.8
85.02909	6.5
87.04459	0.9
91.03972	2.7
91.05489	3.1
93.07037	6.0
95.04981	1.8
95.08594	4.6
97.02890	6.4
97.06543	1.2
101.02382	2.5
105.07050	2.5
107.08619	3.2
109.06548	0.8
109.10172	2.0
111.04510	1.2
117.06969	0.8
119.08572	1.3
121.10174	2.8
127.03954	1.8
131.08623	1.4
133.10193	0.8
135.11719	1.8
145.10124	1.4
162.96667	0.7
163.11234	3.0
173.09592	1.2
184.07367	2.4
185.04129	0.9
209.11848	1.0
223.13280	1.4
243.08350	4.2
281.13577	6.0
318.72681	0.8
333.15079	1.4
337.16336	1.3
368.25998	0.9
499.21545	9.1
519.29181	6.2
567.91724	0.9
606.81403	0.9
777.43884	100.0
778.44122	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	778.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.1
55.05526	18.6
57.03442	16.3
61.02934	3.8
65.03945	3.0
67.05511	40.8
69.03441	6.3
69.07076	22.6
70.38813	1.6
71.05001	6.3
78.43068	2.0
79.05501	39.3
80.88791	1.9
81.03426	100.0
81.07062	45.1
82.07432	2.1
83.04988	6.9
83.08641	11.9
85.02921	5.8
85.06557	2.8
86.09691	5.1
91.05488	43.4
93.05474	2.1
93.07052	42.8
95.04977	13.9
95.08631	23.9
97.02896	4.5
97.06538	10.0
97.10199	8.1
98.22710	5.6
98.23405	7.4
105.04510	2.2
105.07030	22.2
107.04948	7.7
107.08602	25.7
108.08897	2.0
109.06538	7.3
109.10191	12.7
111.08109	4.9
113.05968	1.8
117.07037	15.0
119.08598	34.3
121.06496	9.9
121.10146	13.9
123.04436	2.5
123.08077	5.7
123.11717	3.3
125.05946	2.6
125.09649	7.5
129.07013	5.9
131.08577	14.6
133.06534	3.0
133.10135	17.3
135.08092	7.4
135.11717	10.6
137.09653	20.6
143.07010	3.1
143.08586	4.0
145.06560	2.4
145.10129	9.8
147.08066	8.2
147.11722	7.3
149.09662	7.6
149.13286	7.0
151.11166	3.0
155.08562	2.0
157.10173	5.7
159.11723	6.8
161.09633	2.5
161.13313	2.9
163.11281	4.5
165.09131	16.8
169.10191	2.9
171.11710	4.6
173.13232	2.9
175.11208	5.2
177.09123	2.4
177.12773	2.2
183.11734	2.2
184.07323	11.3
189.11108	2.3
193.12241	1.9
195.13783	2.5
227.12837	6.1
239.12796	55.5
240.13080	2.9
255.16075	5.5
257.19006	2.8
267.15900	5.2
269.17450	14.0
273.11218	2.2
275.20081	11.1
341.21243	3.1
349.23642	12.1
367.24924	2.1
383.38663	2.2
393.22702	2.7
415.24799	6.6
419.24301	20.0
421.27292	4.1
433.25925	64.6
465.28296	9.2
483.29208	2.4
492.49564	2.1
513.32208	36.1
514.32629	2.2
531.33270	15.5
563.35590	2.7
674.31824	6.8
778.40240	15.3
779.41602	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	779.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
57.03426	0.8
61.02929	2.5
61.20065	0.3
67.05494	1.8
69.03432	1.5
69.07065	0.8
70.06576	1.8
70.95203	0.3
71.06945	0.4
73.02918	1.5
73.18460	0.3
75.29295	0.3
79.05489	1.6
81.03410	1.5
81.07045	1.8
83.08640	0.5
85.02915	2.7
91.03957	1.5
91.05498	1.4
93.07059	1.9
95.04978	0.9
95.08608	0.9
97.02889	2.2
97.06575	0.5
99.04472	0.4
101.02397	0.9
105.07055	0.6
107.08598	0.8
109.02884	0.4
109.10185	0.4
119.08632	0.8
127.03961	0.7
133.10123	0.6
135.11710	0.7
144.57243	0.3
145.10103	0.3
147.11687	0.4
163.11264	0.4
184.07326	0.5
185.04222	1.0
193.12144	0.5
235.13008	0.4
243.08472	1.4
251.12460	0.7
263.92166	0.3
269.10596	0.6
301.08969	1.5
315.10519	0.6
373.11209	1.1
385.18463	0.7
413.18143	0.6
439.19672	0.5
453.20990	2.6
465.21002	1.3
469.20447	3.6
481.20517	0.6
487.18637	0.7
491.50803	0.4
517.47400	0.3
525.22968	0.6
551.28064	0.5
567.31854	2.3
596.31836	0.6
651.33496	2.7
677.34882	0.8
681.33099	0.6
691.36835	0.6
693.34491	14.3
694.34753	0.9
733.41705	1.9
761.40625	2.3
777.40405	0.4
779.40112	100.0
780.40234	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	779.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
55.30404	0.4
56.96568	0.6
57.03435	1.6
60.08164	1.2
61.02925	2.4
67.05503	3.5
69.03439	1.4
69.07075	1.9
70.06594	0.7
71.01372	0.5
71.04990	1.1
73.02917	2.2
79.05483	2.8
81.03417	2.3
81.07059	3.9
82.07416	0.5
83.04984	1.2
83.08624	1.3
85.02917	1.8
86.09709	4.5
87.10046	0.5
91.03972	1.9
91.05485	2.2
93.07049	2.4
95.04977	1.0
95.08620	2.9
97.02897	2.2
98.98486	0.8
101.02401	1.0
105.07055	2.0
107.08601	1.3
109.10162	1.1
113.83996	0.5
117.07003	0.6
119.08612	1.3
121.10161	1.0
124.30426	0.5
125.00020	3.9
129.05550	0.5
131.08620	0.5
131.12587	0.5
133.10158	1.5
135.11711	0.7
147.11671	0.8
149.09706	0.7
155.77983	0.5
184.07344	15.5
185.07765	1.7
236.29337	0.4
242.88693	0.4
243.08490	1.5
251.12624	0.6
269.10754	0.5
278.92462	0.5
294.60257	0.5
301.08908	0.6
316.41608	0.5
317.09558	0.6
331.18878	0.5
378.08359	0.5
439.19604	0.7
453.20840	0.9
467.18896	0.6
469.20364	2.0
471.55173	0.5
553.30280	0.6
600.38525	0.6
693.34558	1.4
761.40729	0.9
779.40515	100.0
780.40955	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	779.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03443	1.1
61.02934	2.2
67.05500	2.0
69.03439	1.3
69.07076	0.6
70.06607	1.7
73.02917	1.9
79.05499	1.6
81.03426	1.7
81.07050	2.0
83.08640	0.8
85.02923	1.9
86.09691	0.4
91.03965	1.1
91.05467	2.0
93.07041	1.9
95.04987	0.6
95.08621	1.3
96.37215	0.3
97.02910	1.8
98.23521	0.6
101.02409	0.9
105.07053	0.7
107.08624	1.2
109.02915	0.6
109.10169	0.7
117.19167	0.3
119.08625	0.8
121.10215	0.3
127.03914	0.7
129.05559	0.4
131.00227	0.3
133.10124	0.5
135.11711	0.5
149.13261	0.3
162.20357	0.3
184.07433	1.2
185.04288	0.9
193.12277	0.5
203.05267	0.4
223.23158	0.3
236.62299	0.4
243.08549	1.4
251.12506	0.4
269.10785	0.5
301.09091	1.1
315.10519	0.5
316.58563	0.3
331.18478	0.3
333.61081	0.3
371.16953	0.6
373.11221	0.8
381.42975	0.3
385.18524	0.6
439.19568	1.1
443.19214	0.3
453.20944	3.7
464.59442	0.3
465.21106	1.1
469.20438	3.0
471.22067	0.4
481.20486	0.5
487.18710	0.5
512.22150	0.5
525.22784	0.6
533.27240	0.4
538.58478	0.3
567.32092	2.2
581.29010	0.4
596.32001	0.5
651.33789	2.2
677.35089	1.2
681.33307	0.6
691.36652	0.7
692.33380	0.6
693.34406	12.2
694.34631	0.5
733.41071	3.0
761.40729	2.1
777.40112	0.4
779.40259	100.0
780.40491	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	779.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03435	3.0
61.02921	5.5
67.05497	7.3
69.03439	2.9
69.07065	2.7
70.12337	2.7
71.01347	1.7
71.04967	0.9
73.02917	3.2
78.88730	0.9
79.05501	4.3
81.03409	2.5
81.07047	5.7
83.08637	1.8
85.02894	4.9
86.09695	1.7
91.03957	2.3
91.05489	3.6
93.07051	3.5
95.08603	5.2
97.02901	3.5
105.07051	2.0
107.08590	2.7
109.10170	3.3
112.91502	1.0
119.08566	1.7
121.10168	3.5
123.11766	1.0
127.03909	1.3
131.00189	1.2
133.10127	1.3
135.11671	1.3
145.10143	1.1
173.13295	1.6
184.07344	7.5
243.08508	2.5
265.44836	0.9
283.08597	1.3
317.18018	1.5
331.07950	1.1
337.26559	1.6
338.27185	1.2
387.14304	2.5
430.45676	1.2
441.18921	1.9
483.17947	2.7
485.17593	1.3
519.29382	4.8
531.26904	1.7
553.20123	1.9
567.22272	2.3
581.27277	1.6
607.28693	1.3
609.27087	6.0
610.27435	1.5
621.30670	6.6
635.31726	8.1
636.32605	7.3
664.32251	15.3
693.32642	5.8
719.39752	1.5
733.39423	26.1
734.39319	2.7
761.40051	8.2
777.38141	3.7
779.41241	100.0
780.41565	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	779.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05511	1.2
57.03434	1.1
59.87248	0.3
60.08160	0.6
61.02924	1.7
67.05508	2.3
69.03437	1.0
69.07084	0.9
69.58997	0.7
71.04980	0.8
71.07362	0.7
73.02918	1.4
79.05489	2.1
79.59260	0.4
81.03429	0.7
81.07047	3.2
83.04999	0.9
83.08636	0.6
85.02917	1.2
85.06557	0.4
86.09702	2.6
91.03966	0.9
91.05504	1.6
93.07042	2.3
95.04987	0.6
95.08609	1.7
97.02918	1.7
97.06525	0.6
98.98497	0.4
101.02381	0.9
105.07051	1.0
105.28909	0.4
107.08603	0.9
109.06562	0.5
109.10145	0.5
117.07098	0.4
119.08598	0.6
121.10141	0.5
123.08092	0.5
125.00024	1.5
127.03969	0.6
131.08598	0.5
133.10129	0.6
135.11723	0.5
180.71385	0.3
184.07347	6.6
184.08876	0.5
185.07707	1.1
243.08496	0.6
267.09195	1.1
285.10089	0.6
293.05389	0.5
308.54254	0.4
333.17050	0.6
333.21170	0.4
346.41037	0.4
348.70264	0.4
427.19601	0.6
453.21265	1.1
467.19006	0.6
469.20374	1.8
527.93555	0.4
549.26459	0.7
551.27374	1.2
693.34082	0.7
735.38782	0.6
761.40570	1.4
779.40259	100.0
780.40411	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	779.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
57.03429	2.8
61.02920	4.5
67.05517	9.6
68.05832	1.6
69.03423	3.6
69.07071	2.6
70.70341	1.2
71.25573	0.9
73.02917	3.2
76.94722	1.1
79.05489	5.8
81.03431	1.9
81.07045	8.2
85.02934	5.3
86.09716	2.0
91.03970	3.9
91.05477	4.5
91.63957	1.0
93.07027	5.7
95.08618	3.5
96.11800	1.0
97.02895	4.5
97.10194	1.2
98.22685	2.1
101.02399	1.6
105.07042	2.4
107.08639	2.7
109.02902	1.2
109.10141	2.1
116.06071	1.3
119.08633	2.0
121.10098	2.7
124.99994	1.5
125.09627	1.3
125.55804	1.3
127.03969	1.0
131.08595	1.5
133.10088	1.2
135.11734	1.8
137.09676	1.3
145.04941	1.0
145.10027	1.4
149.01312	1.2
159.11676	1.5
177.00764	1.1
184.07339	6.6
241.09288	1.9
243.08281	2.7
283.08554	1.7
293.05951	1.1
301.16583	1.2
317.18076	1.8
332.66129	1.2
337.26642	1.1
350.42365	1.3
387.14340	2.2
403.63699	1.2
441.18814	1.6
485.17261	2.0
501.19202	3.4
503.27176	1.2
511.19568	1.7
519.29297	5.9
540.19855	2.8
553.20612	4.0
583.28375	1.2
607.28180	1.7
609.27087	3.4
610.26910	1.6
621.30042	5.7
635.31934	7.8
636.32697	6.9
664.32147	15.9
693.32684	6.2
733.39441	23.0
734.39160	1.8
761.40125	8.2
777.38007	2.4
779.41278	100.0
780.41626	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	779.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03427	0.8
61.02919	2.5
67.05502	2.0
69.03432	1.3
69.07050	0.5
70.06593	2.1
73.02924	1.1
79.05479	1.6
81.03417	1.3
81.07053	1.8
83.04920	0.3
83.08618	0.9
85.02897	1.9
86.09712	0.4
91.03978	0.9
91.05486	1.2
93.07048	1.4
95.04965	1.0
95.08620	0.7
97.02898	1.8
97.06535	0.5
98.22691	0.7
99.04462	0.5
101.02392	0.4
105.07037	1.1
107.08611	1.1
109.02940	0.3
117.06975	0.3
119.08632	0.6
121.10176	0.7
124.19724	0.3
125.00037	0.4
127.03967	0.6
129.05537	0.4
131.08528	0.3
133.10173	0.5
135.11673	0.5
135.73804	0.3
149.13274	0.4
184.07414	1.3
185.04256	0.6
193.12302	0.8
203.05339	0.5
230.52556	0.3
232.09294	0.3
243.08388	1.4
251.12616	0.5
269.10544	0.5
301.08786	1.6
307.15118	0.4
315.10526	0.5
331.15820	0.5
333.20441	0.3
349.16785	0.4
355.13519	0.4
371.16812	0.4
373.11066	1.1
385.18271	0.9
429.17480	0.5
439.19449	0.8
453.20871	3.0
465.20929	1.2
469.20493	3.7
471.21652	0.4
478.00549	0.3
481.20209	0.4
483.22061	0.4
487.18536	0.4
525.23718	0.5
533.26868	0.5
567.32483	1.8
593.29236	0.4
625.31982	0.5
651.33130	2.4
677.35242	0.9
681.33441	0.9
693.34399	13.6
733.41370	2.6
761.40991	2.3
779.40100	100.0
780.40350	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	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05511	3.7
57.03430	3.6
60.08158	2.0
61.02924	8.3
65.19850	1.1
67.05498	7.7
69.03429	5.0
69.07073	2.8
69.21909	0.9
69.35864	4.7
70.06587	2.5
71.04983	1.7
73.02918	4.2
79.05492	5.4
79.87975	0.9
81.03421	3.5
81.07052	5.8
82.79895	0.9
83.04982	1.3
83.08578	1.1
85.02909	7.4
85.06540	1.0
86.09701	6.8
86.41004	1.0
87.04478	1.1
91.03945	5.0
91.05489	5.1
93.07035	7.5
95.04941	2.3
95.08601	1.7
97.02896	6.3
97.10186	1.0
98.22806	2.4
99.04455	1.1
101.02405	1.9
105.07051	3.8
107.08589	2.7
109.02871	1.2
109.10149	1.2
116.56837	0.9
117.07080	1.3
119.08621	2.2
121.10202	1.1
123.11728	1.1
125.00012	3.4
127.03912	2.8
129.05467	2.8
131.08510	1.3
133.10136	2.7
135.11687	3.8
139.33856	1.0
145.10121	1.9
147.11682	1.7
149.13263	1.3
159.11697	1.4
172.11583	0.9
174.12694	1.1
184.03131	1.1
184.07333	20.3
185.04239	4.6
185.07755	2.9
187.13391	1.5
201.03770	2.4
221.11581	1.3
241.06885	1.3
243.08350	6.6
259.07935	1.1
261.14697	1.1
267.15552	1.2
301.08929	6.5
315.10544	5.4
333.16782	1.5
369.15182	2.7
371.16711	5.3
373.11160	4.3
380.98459	1.1
389.22998	1.8
389.68497	1.0
411.20334	1.6
415.28491	1.5
423.19958	1.1
425.21542	4.5
429.17419	2.1
439.19312	10.5
443.19116	2.1
453.21103	3.1
455.19040	1.6
461.28751	1.8
465.20920	2.3
469.20154	4.8
481.20416	1.2
485.23712	5.6
489.28519	1.3
497.23785	4.7
511.21335	11.9
525.23077	3.3
535.28772	3.2
551.28491	1.8
553.29254	3.2
567.27234	5.5
579.31250	3.1
593.32465	3.1
594.33942	4.8
621.32336	2.1
622.33246	23.0
623.34357	1.5
625.31873	2.7
635.33521	1.8
651.33746	4.4
663.33228	1.4
691.33185	4.3
693.34277	6.6
694.33984	1.0
733.41235	53.2
734.41504	1.9
749.26862	1.4
759.38641	1.7
761.40472	4.5
777.39667	2.6
779.42218	100.0
780.41583	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	779.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05513	1.2
57.03439	1.4
57.33080	0.4
61.02933	3.6
67.05509	2.7
69.03432	2.4
69.07073	1.2
70.92661	0.5
73.02932	2.3
75.69170	0.3
79.05499	2.7
81.03424	3.0
81.07072	3.4
82.89085	0.4
83.04993	0.9
83.08635	1.3
85.02911	4.0
86.56107	0.3
91.03983	2.5
91.05470	2.8
93.07052	2.2
95.04979	1.8
95.08623	0.9
97.02898	3.1
97.06598	0.7
97.10200	0.6
98.22862	0.4
99.04452	0.8
101.02402	1.6
105.07038	1.9
107.04974	0.5
107.08603	1.2
109.02872	0.8
109.06637	0.4
109.10184	0.6
111.08115	0.6
117.07073	0.5
119.08614	1.5
121.10151	0.7
123.08080	0.5
127.03943	1.3
129.07008	0.6
131.08601	1.1
133.10164	1.2
145.10274	0.5
147.11702	1.2
157.10159	1.0
159.11678	0.4
161.25101	0.4
175.11250	0.5
184.07437	1.1
185.04198	0.4
193.12321	1.4
211.13347	0.5
232.21107	0.3
243.08414	2.4
251.12689	1.3
307.15091	0.6
333.20334	2.2
386.19385	0.4
390.08139	0.4
391.41174	0.4
439.19919	0.6
453.21112	0.5
469.20486	8.7
551.28351	3.1
619.23712	0.4
779.41895	100.0
780.42188	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	779.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05509	1.1
55.07459	0.2
57.03439	2.1
60.08694	0.2
61.02928	3.6
66.21819	0.3
67.05505	3.3
68.60076	0.3
69.03423	3.1
69.07069	1.2
71.01350	0.3
71.04989	0.9
73.02921	2.9
79.05502	3.6
81.03412	3.5
81.07056	4.3
83.04961	0.6
83.08601	1.4
85.02901	5.4
86.09747	0.3
91.03950	2.2
91.05473	3.7
93.07038	2.9
94.59842	0.3
95.04971	2.0
95.08601	1.8
97.02896	3.6
97.06526	0.4
99.04469	0.7
101.02370	1.5
105.07037	2.0
107.04942	0.6
107.08571	1.2
109.02914	0.6
109.06524	0.5
111.08098	0.5
113.78819	0.3
117.07058	0.5
117.33433	0.2
119.08572	1.7
121.10175	1.2
123.08132	0.4
127.03891	1.5
129.07022	0.8
131.08591	1.4
133.10121	2.1
135.11690	0.5
145.10150	0.6
147.11758	0.9
149.09650	0.7
157.10147	0.7
160.03568	0.3
175.11220	0.9
184.07381	0.5
185.04216	0.5
193.12305	1.6
203.05205	0.4
211.13449	0.7
211.66954	0.3
229.12430	0.3
243.08421	2.5
251.12520	1.3
285.16925	0.3
307.15134	0.8
312.97232	0.3
333.20276	2.0
334.21036	0.3
439.19400	1.1
453.21085	1.0
469.20425	10.4
551.28162	4.2
617.36945	0.3
681.34381	0.6
779.41791	100.0
780.42102	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	779.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05514	2.7
57.03440	4.3
57.07074	1.1
57.51622	0.9
61.02929	11.1
67.05507	7.0
69.03429	4.3
69.07071	3.5
69.65484	2.7
70.06578	1.1
71.01383	1.0
71.04993	2.0
73.02929	6.8
79.05499	4.7
81.03432	3.3
81.07055	8.1
83.08639	3.0
84.45936	1.0
85.02896	9.8
86.09704	2.3
91.03948	6.7
91.05488	3.4
93.07056	6.8
95.04976	1.6
95.08636	2.1
97.02892	9.7
97.06548	1.9
97.10153	1.4
99.04436	1.7
101.02379	2.0
105.07030	2.0
107.08624	3.7
109.02905	2.4
109.10184	2.4
117.05556	1.1
117.07038	1.3
119.08571	1.8
121.10184	2.1
125.00022	1.8
127.03958	2.7
129.05490	2.9
133.10159	1.5
135.11736	3.0
145.10165	1.3
149.13248	1.6
159.11792	1.2
182.17999	1.1
184.07306	5.9
185.04225	5.7
195.13792	1.1
201.03862	2.3
203.05266	2.5
221.11525	2.3
235.13200	1.3
243.08423	7.0
259.07892	1.1
261.14594	1.8
263.12726	2.3
269.17715	1.2
301.08960	12.1
315.10410	7.4
319.15335	1.3
327.10660	1.5
329.12097	1.4
333.16650	1.4
343.13785	2.3
357.15350	2.3
369.15356	4.1
371.16788	6.2
372.17047	1.5
373.11029	7.9
385.18384	6.6
392.76730	1.0
401.14368	1.8
413.17743	1.4
415.15897	2.3
425.21680	5.8
429.17404	4.4
439.19360	14.4
443.19254	2.4
453.20914	18.5
455.19183	2.7
457.20596	2.3
469.20551	4.5
481.20547	6.2
483.22089	4.0
484.22980	2.7
489.28461	1.4
497.23621	3.9
503.30020	1.4
511.21100	6.9
525.22552	6.0
535.28705	2.0
549.26788	1.8
553.22803	3.3
553.29834	3.9
567.31500	90.7
568.32172	5.2
579.31494	2.3
580.25433	1.2
581.29413	2.0
594.33386	3.8
595.31110	1.4
607.29877	1.2
609.28802	2.6
621.32458	5.4
622.33191	15.5
623.32635	1.9
625.31628	2.5
635.33691	4.3
636.35571	2.3
647.34601	1.4
651.33459	34.4
652.34094	1.4
654.32227	1.4
664.33704	2.0
678.39679	1.0
693.34552	14.6
694.33942	1.2
733.41223	43.9
734.41486	3.7
759.39392	1.8
761.40326	6.3
762.41272	1.6
777.40063	14.9
779.41779	100.0
780.42059	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	779.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05513	1.5
57.03445	2.8
61.02926	5.8
63.05577	0.4
66.96266	0.5
67.05505	3.3
69.03420	2.6
69.07084	1.1
70.06596	1.1
71.01344	0.4
71.04993	0.6
71.21317	0.7
73.02917	4.0
79.05489	3.3
81.03415	2.6
81.07047	3.2
83.05006	0.9
83.08621	0.9
84.01921	0.7
85.02895	4.5
91.03951	3.3
91.05482	2.6
93.07054	2.3
95.01154	0.4
95.04968	0.9
95.08636	1.5
97.02901	5.2
99.04492	0.9
99.08193	0.4
101.02402	1.6
105.06442	0.4
105.07061	1.9
106.89413	0.4
107.08618	1.8
109.02867	1.0
109.10198	1.1
117.05482	0.6
117.07021	1.0
119.08604	1.7
121.10173	0.8
123.04263	0.4
127.03956	1.2
129.05531	1.3
131.08594	0.6
131.34254	0.4
131.40427	0.4
133.10184	1.6
134.20909	0.5
135.11713	1.0
145.10170	1.3
147.11720	1.0
175.11241	0.6
184.07416	0.9
185.04198	3.8
201.03827	1.2
203.05244	0.6
211.13455	0.5
241.10739	0.5
243.08430	3.7
247.13161	0.9
251.12843	0.6
269.17813	0.4
301.08963	8.7
313.09164	0.8
315.10498	3.0
317.21051	1.4
328.27032	0.5
329.12097	0.8
340.03333	0.4
343.13824	0.5
355.13806	0.7
357.15292	0.8
357.23993	0.9
369.15369	1.1
373.11130	2.1
383.16803	1.0
385.18396	5.2
387.12802	0.5
397.18607	0.6
415.16299	0.7
415.24945	0.7
429.17685	2.1
429.26224	0.6
439.19666	0.6
453.21191	1.4
457.20834	0.9
465.20886	4.2
467.19272	1.0
469.20407	7.1
485.20316	0.6
495.22247	1.5
499.33990	1.1
513.27234	0.6
525.23120	12.2
526.23517	0.5
535.28638	6.6
551.28058	1.2
577.29773	0.5
594.30615	1.2
607.30890	3.6
609.31885	2.2
621.32489	1.2
635.34869	2.0
649.35400	0.5
663.34137	1.6
665.35822	0.8
677.38763	1.9
678.39008	1.0
681.34027	0.8
693.34509	25.4
694.34961	1.9
695.39819	2.9
719.39520	0.6
733.40491	0.9
761.40930	4.1
762.41125	1.0
779.41412	100.0
780.41656	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	779.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
55.05511	2.7
57.03433	2.2
61.02930	6.0
67.05507	7.6
69.03423	4.1
69.07072	1.8
69.43102	2.5
70.06596	1.3
71.04987	1.5
73.02917	4.2
79.05486	5.7
81.03399	1.8
81.07053	6.3
83.08627	0.9
85.02901	5.8
86.09723	1.3
91.03962	3.2
91.05485	3.5
93.07037	4.7
95.04975	0.8
95.08593	3.3
97.02895	6.7
97.06573	0.9
97.10199	0.7
98.22742	1.1
99.04485	0.7
101.02395	2.7
105.07041	2.2
107.07948	0.7
107.08611	2.3
109.02921	0.9
109.06558	0.7
109.10173	2.2
115.64734	0.6
117.07051	1.4
119.08613	1.7
121.10167	1.2
124.99982	0.8
127.03941	1.7
131.08568	1.1
133.10165	1.9
135.11757	1.4
145.10117	0.7
149.84174	0.6
166.25673	0.6
184.07382	3.2
185.04292	0.7
205.47238	0.6
224.08411	0.8
229.33916	0.6
243.08496	2.7
272.51416	0.6
283.11600	1.4
335.25699	0.7
373.38010	0.6
427.19427	0.8
483.18185	1.4
485.23563	1.3
485.79880	0.8
501.18997	1.0
519.29285	6.5
535.28259	1.1
637.32050	2.2
662.19501	0.9
693.32587	6.2
707.39197	0.8
733.41626	1.2
761.39795	2.3
778.44379	1.0
779.41888	100.0
780.41949	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	779.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05507	2.2
57.03433	3.0
61.02930	6.4
67.05508	7.2
69.03427	3.2
69.07059	1.6
71.01366	1.1
71.05013	0.6
73.02914	3.5
79.05491	4.7
81.03431	2.4
81.07066	4.6
85.02911	6.1
86.09696	1.6
87.04491	0.7
91.03977	3.1
91.05482	2.3
93.07054	4.3
95.05000	1.6
95.08591	3.6
96.00335	0.7
97.02895	4.5
97.06503	0.6
99.04460	1.1
101.02403	1.6
105.07056	2.0
107.08591	2.9
109.02889	1.0
109.10201	1.2
115.03970	0.7
117.07014	0.6
117.41231	0.7
117.90285	0.6
119.08579	0.9
121.10191	1.2
123.08067	0.7
127.03898	1.5
129.05542	0.7
131.08598	1.1
133.10173	1.5
184.07347	3.5
185.04312	0.7
225.11244	1.0
243.08430	2.8
283.11649	1.5
335.26010	1.4
339.14114	0.7
392.32822	0.7
413.17868	1.0
483.18530	2.6
501.19119	2.9
519.29077	4.8
535.28790	0.7
637.32306	3.0
681.43463	1.0
693.32532	17.6
694.32159	1.6
733.39368	1.0
735.39099	0.7
761.40668	6.5
762.41583	0.7
779.41705	100.0
780.41571	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	779.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
55.05526	1.7
57.03439	1.7
61.02940	4.1
62.18915	0.4
67.05509	4.3
69.03439	2.3
69.07069	1.5
69.49208	1.6
70.06599	4.1
71.01379	0.5
71.05017	1.0
71.06955	0.6
73.02923	2.9
79.05484	3.0
81.03417	2.8
81.07066	4.4
83.05015	0.9
83.08640	1.1
85.02911	4.1
86.09715	0.7
91.03960	2.9
91.05491	3.2
93.07065	3.2
95.04996	1.2
95.08623	1.5
97.02899	3.6
97.06561	0.7
97.10190	0.6
99.04469	1.1
101.02392	1.1
105.07040	2.1
107.04975	0.8
107.08604	2.1
109.02888	0.9
109.10180	1.2
117.07000	0.6
119.08595	0.7
121.10172	0.9
123.08067	0.6
127.03925	0.9
129.05519	0.5
131.08597	0.9
133.10178	0.8
135.11757	0.9
135.29065	0.5
145.05023	0.6
145.10115	0.5
147.11745	1.0
149.13274	1.0
151.11227	0.4
184.07344	2.0
185.04259	1.8
193.12349	0.6
195.13902	0.4
203.05347	0.5
211.13205	0.4
216.75737	0.3
221.31526	0.4
235.13335	0.6
243.08414	2.5
251.12689	1.5
269.17758	0.6
301.08984	3.2
303.15659	0.4
315.10733	1.0
371.16891	1.0
373.10873	1.8
383.16455	0.6
385.18661	1.1
433.00519	0.5
435.27740	0.5
439.19421	1.5
453.20999	4.5
457.20465	0.7
465.20938	3.6
466.22437	0.4
469.20468	4.6
471.22000	1.2
481.20615	1.2
500.17398	0.5
525.23090	1.1
531.29065	0.6
533.27222	0.8
535.28473	0.9
549.27148	0.4
551.28381	0.6
553.27069	0.4
567.31073	1.7
593.28992	0.5
596.32117	0.5
607.31073	0.5
622.32800	0.5
623.34076	2.2
625.31152	0.6
651.33331	3.8
663.33429	0.6
677.34918	1.6
677.46509	0.4
681.33240	0.9
693.34497	21.2
694.34985	1.2
728.27795	0.4
733.41431	9.7
734.41510	0.6
761.40625	4.7
777.39734	0.5
779.41046	100.0
780.41382	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	779.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70626	0.3
67.05499	0.4
69.52157	0.9
69.52542	0.6
81.07041	0.4
81.56428	0.3
83.17101	0.5
86.09717	1.0
98.23397	0.5
115.79922	0.4
125.00035	0.5
135.99878	0.4
156.11269	0.3
184.07349	3.5
236.37308	0.3
304.97153	0.4
362.31384	0.4
534.59906	0.4
726.52118	0.4
772.96466	0.4
779.43384	100.0
780.43848	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	779.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05507	0.9
57.03440	1.9
59.05000	0.9
61.02927	5.9
66.18398	0.3
66.60704	0.3
67.05510	5.1
67.58987	0.3
69.03434	4.2
69.07075	1.4
69.11965	0.3
69.19021	1.7
71.01354	0.6
71.04990	1.8
73.02922	4.4
79.05494	4.1
81.03419	4.0
81.07059	5.4
83.04987	0.6
83.08636	1.0
85.02914	5.2
85.06557	0.6
87.04469	0.8
91.03951	3.7
91.05482	3.2
93.07031	3.4
95.04961	1.5
95.08606	3.6
97.02901	5.2
97.06561	1.0
99.04467	1.4
99.13798	0.3
101.02383	2.2
103.03938	0.6
105.04534	0.4
105.07019	2.0
107.08607	1.9
109.02923	1.0
109.06554	0.4
109.10181	0.9
111.04459	0.4
111.08141	0.5
115.03983	0.5
117.06972	0.3
119.08586	1.5
121.10142	2.7
127.03944	1.3
129.07021	0.6
131.08554	1.9
133.10121	1.6
135.11734	0.5
142.97171	0.3
145.10129	0.4
147.08125	0.3
147.11707	1.5
149.09593	1.5
157.10161	0.8
175.11246	0.8
185.04311	0.9
193.12206	1.6
203.05222	0.5
219.38927	0.3
225.14865	0.5
233.11562	0.3
243.08392	3.6
253.14178	0.5
259.07986	0.4
261.22238	0.3
267.16031	0.9
283.15140	5.9
335.25967	0.7
339.17798	0.8
430.01846	0.3
441.20816	0.4
451.02029	0.3
455.32596	0.4
469.20560	0.9
483.21875	0.4
501.23099	14.4
502.23709	0.5
519.29321	7.3
520.29895	0.5
617.40649	0.5
779.45490	100.0
780.45740	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	779.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05510	1.2
57.03436	2.0
59.05007	0.3
61.02925	4.8
63.99950	0.2
67.05508	4.2
69.03419	2.4
69.07077	1.4
69.17654	1.3
71.01358	0.5
71.04998	0.6
73.02912	3.9
75.04481	0.3
79.05489	3.6
80.49745	0.2
81.03413	3.0
81.07051	4.3
81.07494	0.3
83.04983	0.5
83.08633	0.5
85.02903	4.8
87.04500	0.4
90.00787	0.2
91.03953	2.9
91.05489	1.8
93.07040	3.4
95.04999	1.3
95.08609	3.6
97.02890	3.9
97.06522	0.6
99.04467	1.0
101.02393	1.8
103.03951	0.4
105.07039	1.6
107.08592	2.1
109.02898	0.8
109.10178	1.2
115.03936	0.5
117.07068	0.4
117.25867	0.2
119.08605	1.2
121.10112	1.5
123.64922	0.2
127.03886	1.2
129.07037	0.3
131.08589	1.1
133.10153	0.8
135.11687	0.6
145.04929	0.3
145.10149	0.6
147.11749	0.7
149.09674	0.9
149.13303	0.3
157.10190	0.5
175.11208	0.3
184.07350	0.6
185.04221	0.6
193.12219	0.7
203.05434	0.3
225.14726	0.3
243.08339	2.1
267.15939	0.4
283.15134	4.8
283.17795	0.4
339.17868	0.9
394.35184	0.2
469.20477	0.3
501.23038	5.9
519.29236	6.8
571.11890	0.3
602.28839	0.3
779.45447	100.0
780.45721	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	779.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05513	1.2
57.03430	1.4
57.07051	0.3
61.02929	4.9
67.05506	4.5
69.03433	2.5
69.07063	1.5
69.20189	1.6
71.01353	0.4
71.04987	3.0
73.02918	3.3
79.05495	3.9
81.03435	1.4
81.07060	5.9
83.08626	0.8
85.02907	4.7
85.06572	0.3
88.89816	0.3
91.03960	3.1
91.05479	3.7
93.07056	4.3
95.04993	0.6
95.08617	2.1
97.02900	4.8
97.06529	0.6
99.04454	0.6
101.02377	2.0
105.04517	0.4
105.07030	3.2
107.08616	1.8
109.02898	0.7
109.10188	0.8
111.08115	0.3
114.76332	0.3
115.03943	0.4
117.07045	0.7
119.08604	1.4
119.09356	0.3
121.10143	1.2
123.11748	0.9
127.03899	1.3
129.05446	0.4
131.08574	1.3
133.10123	3.0
135.11710	1.2
145.05054	0.3
145.10167	0.5
147.11720	0.8
149.13330	1.1
151.11211	1.0
159.11732	1.0
161.13292	0.4
163.85817	0.3
183.13882	0.5
184.07368	0.5
185.04286	0.8
187.13310	0.3
203.05260	0.3
205.78534	0.3
241.06888	0.6
243.08368	2.8
257.17499	0.7
259.20752	0.4
262.66577	0.3
267.15802	1.3
269.17523	0.4
301.08984	1.3
302.94562	0.3
303.70209	0.3
303.88406	0.3
315.10666	0.6
317.20813	0.4
323.18240	0.7
373.10965	0.4
385.18509	0.4
388.50616	0.3
415.15802	0.3
453.21298	1.0
465.21149	0.5
485.23615	9.5
486.24036	0.4
535.28870	4.9
536.29016	0.4
557.25934	1.1
599.30670	0.4
617.40247	0.4
628.27875	0.3
693.33203	0.5
748.43695	0.3
761.39795	0.3
779.45490	100.0
780.45941	8.7
795.50873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05500	1.9
57.03441	3.0
61.02935	6.2
67.05502	7.6
69.03432	4.9
69.07055	2.5
70.06586	1.2
71.04987	3.3
73.02914	5.1
74.59699	0.6
79.05498	5.5
81.03421	2.2
81.07054	7.6
83.04981	0.8
83.08620	1.2
85.02903	5.1
85.06517	0.8
86.09686	1.9
87.04476	0.8
91.03951	4.6
91.05484	4.8
91.41046	0.6
93.07048	5.9
95.04964	0.8
95.08603	2.5
97.02887	5.9
97.06599	0.7
99.04429	1.4
101.02367	2.3
101.06271	0.6
105.07050	3.5
107.08573	3.0
109.02851	1.2
109.06554	0.6
109.10143	2.3
111.08067	1.0
117.06999	1.1
119.08580	1.9
121.10130	2.1
123.11726	1.5
125.00013	1.3
127.03899	2.2
129.05464	0.9
131.08539	1.4
133.10138	4.4
135.11725	1.8
145.10158	0.8
147.11687	1.3
149.06078	0.6
149.13258	1.0
151.11171	1.1
161.13245	1.1
183.13777	0.9
184.07367	5.6
185.04199	1.9
185.07654	0.8
201.07568	0.7
203.05318	0.8
243.08421	4.7
267.15750	2.5
268.79880	0.7
284.96930	0.7
301.08887	2.7
313.09528	0.7
315.10406	1.5
317.20920	1.0
336.25992	0.6
371.16931	1.1
373.11111	1.3
441.21097	0.7
453.20950	2.1
465.21136	3.8
469.20050	0.8
485.23697	10.8
535.28693	6.6
557.26007	1.5
625.31720	2.7
641.35156	0.6
651.33240	1.1
691.32684	6.0
693.33820	7.0
733.41449	10.2
734.40692	0.7
761.40332	2.3
777.39966	1.3
779.45398	100.0
780.45306	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	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56665	0.2
55.01879	0.4
55.05270	0.2
55.05509	1.2
57.03429	1.6
59.04995	0.3
61.02927	4.4
67.05500	4.2
67.05819	0.4
69.03430	3.0
69.07079	0.9
69.17567	1.4
71.05005	0.5
73.02914	3.2
79.05491	3.1
80.35785	0.2
81.03405	2.3
81.07052	3.5
83.04961	0.2
83.08620	0.7
85.02904	4.3
87.04469	0.3
91.03951	2.7
91.04508	0.3
91.05483	2.1
93.07040	3.1
95.05002	0.7
95.08607	2.9
97.02892	4.1
99.04490	0.7
100.14834	0.3
101.02377	1.5
105.07046	1.3
107.08580	1.5
109.02904	0.7
109.10162	0.6
115.03979	0.3
117.06996	0.3
119.08607	0.8
121.10147	1.5
127.03935	1.1
129.07031	0.3
131.08606	0.8
133.10191	0.8
135.11723	0.5
145.05020	0.3
145.10158	0.6
147.11716	0.4
149.09663	0.8
149.13245	0.4
157.10240	0.3
175.11198	0.4
184.07417	0.7
185.04315	0.7
193.12286	0.4
243.08344	1.8
263.41306	0.2
267.16220	0.2
283.15146	3.5
283.17743	0.3
335.25928	0.5
339.17780	0.4
390.67828	0.2
469.20700	0.4
501.23074	4.4
502.23444	0.2
519.29327	6.9
520.30865	0.3
617.40381	0.3
779.45465	100.0
780.45819	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	781.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05510	1.1
57.03439	1.7
57.07043	0.3
61.02925	3.8
65.03950	0.5
67.05505	5.6
69.03437	2.8
69.07061	2.2
71.04991	2.9
73.02920	3.1
79.05492	3.6
81.03415	2.1
81.07056	4.1
83.04993	0.6
83.08632	0.8
83.95547	0.3
85.02905	4.6
85.06547	0.4
86.09726	0.3
87.04465	0.4
91.03957	2.8
91.05475	3.1
91.05970	0.3
93.07045	4.0
95.04974	1.5
95.08604	1.9
97.02899	4.3
97.06532	0.6
97.10230	0.4
99.04470	1.0
101.02386	1.8
103.03982	0.4
105.07040	1.6
107.04959	0.3
107.08596	2.0
109.02915	0.7
109.06545	0.6
109.10148	2.8
111.08103	0.3
111.13268	0.3
111.36572	0.3
115.03191	0.3
115.03935	0.7
117.07051	0.4
119.08580	1.6
121.10174	1.3
127.03898	1.4
129.05478	0.4
129.07031	0.4
131.08603	0.9
133.10149	1.4
135.11681	1.6
137.09651	1.5
145.10207	0.8
147.11790	0.5
149.09712	0.3
151.11212	0.4
163.16853	0.3
173.11795	0.5
181.12323	0.5
184.07417	1.2
185.04277	0.4
187.13321	0.3
205.12408	0.3
243.08414	3.1
243.15961	0.7
253.14232	0.8
270.75610	0.3
287.18958	0.4
309.16595	0.3
333.20248	1.7
389.23450	0.4
427.19492	0.4
439.19608	1.2
453.21191	1.1
469.20572	0.9
471.21988	6.8
487.21002	0.4
518.35541	0.6
535.29150	0.9
536.28912	0.4
551.28357	5.1
582.85992	0.3
611.27521	0.5
677.35205	0.6
695.35382	0.3
737.40289	0.4
763.42371	1.1
781.43304	100.0
782.43585	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	781.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05514	1.2
57.03433	1.6
61.02928	3.9
67.05508	4.6
69.03441	2.9
69.07082	1.7
69.60126	1.3
69.60516	1.5
71.04991	0.8
72.56126	0.7
73.02920	3.3
79.05481	3.4
81.03468	0.9
81.07051	4.1
83.04971	1.0
83.08602	0.9
84.48395	0.6
85.02889	4.2
91.03994	2.5
91.05495	2.5
93.07043	4.4
95.04984	0.9
95.08620	2.5
97.02894	4.3
98.22748	1.4
101.02380	2.1
103.34426	0.7
105.02726	0.7
105.07069	1.5
107.08586	1.2
109.02911	0.8
109.10194	1.7
119.08558	0.7
121.10181	1.8
127.03938	1.7
130.46997	0.7
130.48189	0.6
131.08543	1.2
133.10211	0.9
135.11705	1.2
145.04936	1.0
184.07352	0.9
185.04341	1.1
203.05301	0.9
224.85931	0.7
243.08507	2.4
267.12024	1.1
269.17661	0.9
285.13385	0.8
288.33871	0.7
301.09250	0.9
335.25739	0.7
439.19534	1.2
443.18857	1.1
453.21198	1.0
457.20111	0.8
485.20093	3.0
503.21170	1.8
519.29352	4.0
567.31323	9.3
651.33447	2.9
677.34637	0.7
683.45288	0.8
695.35388	3.3
735.42877	2.4
736.43414	0.9
763.42017	6.0
779.42029	1.0
781.42950	100.0
782.42761	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	781.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05416	1.0
57.03344	1.4
57.03657	0.6
59.73560	0.2
61.02831	5.0
61.03179	1.0
67.05402	6.0
67.05802	1.1
69.03323	2.5
69.06967	0.9
69.07324	0.5
71.04909	0.6
73.02811	3.3
73.03254	0.5
79.05386	2.4
79.05885	0.5
80.99277	0.3
81.03297	1.3
81.06944	3.8
81.07456	0.5
83.08523	0.6
85.02790	5.4
85.03337	0.6
86.09625	0.6
87.04379	0.5
91.03837	3.8
91.05358	1.6
93.06921	3.5
95.04884	0.5
95.08485	3.3
97.02770	4.3
97.06425	0.4
97.10026	0.3
99.04328	0.8
101.02256	1.8
103.03865	0.5
105.06906	1.0
107.08460	1.7
109.02757	0.8
109.10028	5.0
109.10838	0.4
115.03845	0.6
117.06927	0.5
119.08447	1.1
121.10165	1.8
123.11602	0.4
124.99857	0.4
127.03924	2.2
131.08508	0.5
133.10048	0.6
135.11566	1.1
145.04851	0.5
145.10014	0.5
147.11604	0.5
149.13197	0.4
150.35776	0.3
159.11601	0.5
173.11571	1.1
173.12975	0.4
184.07361	1.8
185.04225	0.6
185.07574	0.3
195.09969	1.2
203.05098	0.7
212.31433	0.3
229.14217	0.9
243.08427	2.7
311.02893	0.2
335.25848	1.3
335.29010	0.3
406.55530	0.3
413.17838	6.5
487.85886	0.3
519.29370	10.7
520.29565	0.7
532.47345	0.3
541.79388	0.3
665.43774	0.4
683.44916	0.4
691.40289	100.0
692.40668	7.1
692.50507	0.2
693.32513	0.7
735.42474	0.9
763.41650	0.9
781.42896	16.7
782.43109	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	781.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.0
55.05724	0.4
57.03382	1.6
59.04972	0.5
61.02921	4.9
67.05506	9.3
69.03435	3.0
69.07020	1.2
71.01311	0.5
73.02916	4.2
79.05505	2.0
81.03373	1.7
81.07050	3.3
83.08588	0.5
85.02908	5.0
86.09661	1.0
91.03950	4.7
91.05425	1.3
93.07024	2.8
95.04948	0.4
95.08601	2.2
97.02898	5.0
98.23471	1.1
99.04391	1.0
101.02393	1.8
103.03886	0.4
105.06964	0.6
107.08551	1.4
109.02828	1.0
109.10140	7.0
115.03870	0.7
119.08524	1.1
121.10083	1.0
124.99997	0.5
127.03928	1.7
131.08546	0.5
133.10109	0.5
134.97545	0.3
135.11649	0.7
137.09579	0.5
155.10588	0.6
173.11743	3.1
173.13161	0.7
184.07320	2.9
185.04248	0.9
185.07562	0.4
195.09964	0.5
229.14348	1.4
243.08330	2.8
335.26074	0.8
413.17776	13.3
413.23352	0.7
485.20340	0.6
490.40103	0.4
519.29230	7.3
611.31378	0.5
619.45483	0.5
691.40234	100.0
692.40570	6.1
693.32196	1.4
735.42865	0.7
763.42694	1.2
781.42761	19.6
782.42902	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	781.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05619	0.7
57.03249	0.6
57.03558	1.2
61.02705	1.5
61.03063	3.4
67.05245	1.9
67.05650	5.0
69.03167	0.7
69.03578	2.4
69.07201	0.8
69.58768	0.8
69.59150	0.7
71.01483	0.5
71.05099	0.5
73.02618	1.0
73.03076	2.9
79.05169	0.7
79.05661	2.1
81.03588	1.3
81.06705	0.9
81.07231	3.7
83.08770	0.8
85.02515	1.0
85.03082	4.2
87.04594	0.4
91.03529	0.8
91.04141	3.0
91.05678	1.2
93.06599	0.7
93.07229	2.3
95.08811	2.3
97.02422	0.8
97.03094	3.8
97.81012	0.3
99.04654	0.9
101.02584	1.6
103.04066	0.4
105.07225	0.8
106.49825	0.3
107.08822	0.9
109.03053	0.6
109.10382	4.5
115.04142	0.3
119.08024	0.4
119.08798	1.0
121.09557	0.4
121.10404	1.2
127.03216	0.6
127.04152	1.3
131.08791	0.7
133.10300	0.6
135.11906	0.8
145.05161	0.3
145.10312	0.5
155.10956	0.4
173.10632	0.6
173.12047	1.5
182.43802	0.3
184.07660	1.0
185.04526	1.1
195.10292	0.9
229.14685	1.0
243.08470	1.8
335.26050	0.9
403.93436	0.4
413.17807	8.0
480.77921	0.4
485.19730	0.4
519.29376	7.7
520.30084	0.4
529.35156	0.5
691.40265	100.0
692.40533	7.9
695.32819	4.6
696.33521	0.5
704.93719	0.4
717.42438	0.7
735.43127	0.9
745.41547	0.8
763.41901	1.3
781.42010	22.8
782.41431	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	783.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.96569	0.8
61.02937	3.9
66.98289	0.9
67.05511	2.8
68.74428	0.7
69.03432	1.5
69.07088	1.6
71.05009	1.6
72.23524	0.7
73.02928	2.9
79.05500	3.6
81.03419	5.3
81.07066	3.4
85.02902	3.8
91.03967	1.8
91.05466	4.8
93.07050	4.0
95.05000	1.6
95.08639	2.1
97.02923	3.6
99.04468	1.0
100.04369	0.8
101.02378	1.5
105.07026	1.1
109.02899	0.8
109.10187	1.7
119.08621	2.1
121.06524	1.0
127.03934	1.1
131.08588	1.1
137.09673	1.2
147.08101	1.1
149.09660	0.8
165.09200	2.5
181.28970	1.0
233.85721	0.8
239.12827	1.4
243.08531	3.7
255.12100	2.1
311.14764	1.2
333.20190	1.4
473.19962	14.8
473.26151	1.2
551.28143	4.8
783.41504	100.0
784.41632	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	783.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
57.03438	1.3
61.02921	3.9
67.05497	3.5
67.37555	0.6
68.25235	0.5
69.03429	2.3
69.07075	1.8
71.04999	0.7
73.02931	2.2
79.05492	2.5
81.03416	7.0
81.07063	2.4
83.04989	1.1
83.08601	0.7
85.02914	3.1
91.03971	2.3
91.05469	4.0
93.07050	3.7
95.08607	1.4
97.02914	2.4
97.06546	0.7
97.81178	0.6
101.02404	1.8
105.07037	1.9
107.04969	0.7
109.02885	0.7
109.10167	0.8
111.08054	0.6
119.08595	3.0
121.06512	1.2
125.09663	0.8
127.03928	1.1
137.09641	2.0
147.08095	1.7
162.69951	0.6
165.09155	2.0
226.64359	0.7
239.12762	1.0
243.08493	2.8
255.12167	1.8
262.58057	0.7
306.29718	0.8
310.27087	0.6
311.14722	1.0
333.20502	2.2
371.74295	0.6
453.20831	1.4
473.19980	15.3
551.28076	4.3
698.99451	0.6
701.36334	0.7
751.24164	0.6
783.41345	100.0
784.41461	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	786.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	21.7
55.05511	33.3
57.03447	10.8
57.07071	2.7
59.12259	1.6
61.02901	2.1
65.03939	5.3
65.67822	1.6
67.05506	100.0
68.11773	1.6
69.03424	5.8
69.07069	38.6
71.04980	6.1
72.13657	1.9
77.03924	1.9
77.45023	1.6
79.05496	90.3
81.03430	19.0
81.07058	69.1
82.07394	1.8
83.04987	15.2
83.08611	12.4
85.02898	4.8
85.06528	6.2
91.05482	78.8
93.07047	83.0
95.04967	30.4
95.08606	50.4
97.02905	4.7
97.06535	24.4
97.10145	8.9
99.08101	3.4
99.66299	1.9
105.04530	6.9
105.07036	65.9
107.04953	15.1
107.08591	30.5
107.09257	2.9
109.02893	2.1
109.06524	11.1
109.10165	26.5
111.04454	3.6
111.08066	4.8
115.05478	2.5
117.07017	17.7
119.08587	41.6
121.06503	6.3
121.10150	13.4
123.08067	8.6
125.09676	5.1
128.06227	3.2
129.05519	1.9
129.06992	19.8
131.08568	15.4
133.06485	4.5
133.10129	25.8
135.08070	2.0
135.11679	8.7
137.09604	13.6
143.08528	11.4
145.06471	2.9
145.10135	22.6
147.08026	3.8
147.11685	40.0
149.09605	20.4
149.13271	4.1
151.11212	1.9
155.08505	3.4
155.10695	3.5
156.09338	2.6
157.10118	4.5
159.11674	8.7
161.09612	6.5
161.13286	14.2
163.11188	10.2
169.10265	2.6
171.11681	27.0
173.11766	6.1
173.13266	4.9
177.12622	4.4
179.10651	3.5
179.14301	3.5
183.11688	2.3
184.07315	7.7
187.11281	2.1
189.11247	2.8
189.12749	10.9
193.12218	2.1
195.13701	2.4
197.13348	1.9
207.13800	25.8
223.13193	2.4
225.14969	2.3
227.12738	5.0
229.14362	8.1
243.69630	1.8
249.81581	2.0
257.19034	7.0
269.17581	2.5
273.18622	3.4
275.20071	32.9
279.15869	2.4
281.17480	51.9
282.17651	2.0
283.15543	2.5
291.19559	6.3
293.20984	3.3
294.84695	1.8
315.17981	4.3
333.24261	3.3
349.20026	2.0
349.23846	21.2
377.23053	4.9
435.27371	33.2
459.31311	3.8
475.30688	2.3
539.33258	5.7
555.36816	43.9
556.37189	5.1
557.34454	5.4
571.35870	3.2
573.37762	4.1
589.37750	10.7
708.78546	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	20.5
55.05298	4.0
55.05515	52.7
57.03424	16.6
57.07062	5.9
61.02920	16.2
61.62886	3.8
65.03922	7.4
67.05164	6.8
67.05505	99.6
68.43929	3.5
69.03423	12.6
69.06763	4.2
69.07070	44.5
69.12930	11.6
69.13336	12.4
71.04987	8.1
71.08659	3.9
73.02921	9.3
74.74915	3.9
79.05496	74.0
81.03378	18.3
81.06561	5.0
81.07052	86.5
83.04979	8.3
83.08626	19.2
85.02892	16.0
85.06537	4.4
86.06513	3.4
91.03949	4.8
91.05488	75.7
93.07044	65.3
93.95176	3.4
94.46523	3.5
94.85194	3.2
95.04977	20.0
95.08604	53.3
97.02344	3.7
97.02901	21.2
97.03419	3.2
97.06504	20.5
97.10147	18.0
99.08101	3.7
105.07027	67.8
107.04966	10.8
107.08588	51.7
109.06494	4.3
109.10157	38.9
111.08051	6.3
115.05437	7.6
117.07014	37.0
119.08577	42.4
121.10152	26.4
123.11704	7.4
125.09610	14.8
127.03869	6.2
128.06230	9.3
129.07021	26.0
131.08557	42.0
133.10144	36.8
135.08054	6.9
135.11661	17.7
136.43674	3.8
137.09599	5.2
141.06993	10.7
142.07721	6.2
143.08556	37.8
145.10130	35.8
147.11722	24.5
149.02318	13.4
149.09601	11.1
149.13214	7.0
154.07805	4.5
155.08527	18.3
157.10133	32.8
159.11713	23.4
161.09576	4.6
161.13232	9.0
162.22008	4.0
163.11223	3.8
167.08553	7.2
169.10175	20.7
171.08017	3.7
171.11710	29.8
173.13255	14.3
175.11177	5.1
175.14859	6.1
181.10091	17.0
183.11696	26.9
185.13229	17.4
187.14809	8.9
189.11145	4.2
189.12729	4.9
193.04950	10.4
193.10124	4.3
195.11668	15.4
197.13254	15.5
199.14827	15.6
207.11716	8.8
209.13295	10.5
211.14861	12.5
213.16360	7.6
221.13373	7.7
223.14857	8.0
225.16379	5.2
227.12683	8.9
229.14250	6.7
237.16487	9.6
239.18056	4.0
241.19398	4.1
251.17862	4.3
257.18875	6.8
259.20563	12.7
275.20029	14.8
277.27701	3.9
299.23575	3.9
299.60742	3.7
311.23679	3.7
315.23340	5.2
333.24298	8.2
349.23782	7.4
365.28342	4.4
495.34052	6.2
513.35876	25.7
515.38550	7.3
527.36902	13.6
533.39459	4.1
607.43512	58.5
609.44733	4.8
625.44556	100.0
626.45239	5.3
679.46863	4.2
769.48376	7.0
787.49969	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	787.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	1.3
55.01871	17.9
55.05509	26.2
57.03438	11.2
57.07071	3.1
59.04973	1.4
61.02936	1.8
64.94661	1.1
65.03942	4.0
67.05503	64.8
68.05834	2.8
69.03423	2.4
69.07069	37.8
69.47816	1.9
69.48221	3.1
71.04981	2.9
77.03935	1.1
79.05493	52.7
80.05844	1.3
81.03418	9.6
81.07054	69.0
83.04985	8.3
83.08626	11.0
85.02894	2.6
85.06546	3.9
86.09716	1.2
91.05478	80.9
92.05795	1.2
93.07043	58.9
94.07391	2.0
95.01310	8.7
95.04404	1.5
95.04962	14.8
95.08604	45.3
96.08911	1.6
97.02880	1.3
97.06533	27.0
97.10155	2.9
99.08089	3.0
103.05473	3.5
105.04527	3.2
105.07029	100.0
106.07336	1.1
106.70605	1.0
107.04955	17.7
107.08588	26.1
108.08976	1.0
109.06517	6.6
109.10153	21.5
110.10503	1.2
111.04475	1.4
111.08083	3.5
115.05463	2.6
116.06225	1.0
117.07015	20.6
119.08580	57.8
120.08863	1.0
121.06526	5.5
121.10133	15.1
123.04417	2.3
123.08070	2.8
123.11705	3.7
125.09634	4.2
128.06187	1.7
129.05432	1.7
129.06998	11.1
130.07762	1.7
131.08569	31.2
132.08907	1.7
133.06479	1.9
133.10129	53.0
134.10532	1.0
135.08058	3.5
135.11696	12.7
137.09613	2.8
139.07555	1.4
141.06992	2.9
142.07768	1.8
143.08565	9.5
145.06570	2.0
145.10126	26.7
147.08081	2.6
147.11684	24.7
149.09621	6.7
149.13246	6.1
151.11188	2.2
155.08565	3.6
157.10109	8.3
159.08018	1.2
159.11673	20.4
161.09676	1.3
161.13258	15.7
163.11183	4.4
163.14816	2.8
165.09172	2.3
169.10135	3.9
171.10310	1.6
171.11679	9.4
173.11827	2.3
173.13269	9.1
175.11160	1.3
175.14792	9.1
177.12790	3.2
179.14308	11.5
180.09579	0.9
180.54794	1.0
181.10162	1.0
183.11690	2.9
184.07396	3.1
185.13251	6.1
187.11180	3.4
187.14824	4.1
189.16362	1.2
195.13885	1.2
197.13277	3.8
199.14824	3.2
207.11603	0.9
213.16418	1.9
215.17961	1.9
223.13292	1.3
229.14296	7.3
229.19359	1.8
230.14691	4.3
231.17497	1.0
231.20995	2.7
239.17946	2.1
241.19527	15.8
243.21181	1.6
247.16882	1.5
247.20532	1.1
257.18991	6.9
259.20596	22.2
261.22180	1.6
262.22458	1.1
275.20059	64.6
277.21683	1.9
279.15915	1.5
293.21210	4.4
297.16965	3.8
298.17322	1.8
313.21686	1.7
315.23190	12.4
331.22452	1.5
333.24240	45.8
334.24448	1.0
335.25806	7.4
336.26312	6.4
349.23737	39.3
483.35071	1.0
489.35397	1.5
490.35870	3.3
501.36646	1.3
511.37915	1.6
513.35638	1.6
557.59985	1.2
558.38214	2.4
607.43561	62.5
608.43549	2.9
625.44727	10.5
787.46307	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	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	14.0
55.05260	1.8
55.05516	32.6
57.03233	1.0
57.03442	13.0
57.07081	2.9
59.04984	2.0
60.08163	1.4
61.02918	4.1
62.66034	1.3
67.05160	2.4
67.05506	45.4
67.05867	2.4
69.03436	9.3
69.07071	29.9
71.01347	2.6
71.04984	3.9
71.44048	1.4
73.02927	2.4
79.05038	2.5
79.05492	39.3
80.05831	1.3
81.03424	18.9
81.07057	38.3
82.04217	1.9
83.01343	1.9
83.04983	13.1
83.08624	15.8
85.02889	3.8
85.06519	2.4
86.09702	3.5
86.85835	1.5
87.04496	1.7
91.04935	2.7
91.05474	32.6
93.07043	32.1
95.04972	19.7
95.08602	19.2
96.54053	1.5
97.02904	12.7
97.06538	10.0
97.10170	19.2
98.07311	3.9
99.04475	2.3
99.08089	2.1
105.07027	27.0
107.04963	10.8
107.08590	23.7
107.09257	2.0
109.02863	2.0
109.06528	6.7
109.10159	15.8
111.04453	2.7
111.08067	5.2
116.04714	5.5
117.07031	11.3
119.04951	2.6
119.08582	23.0
121.06499	5.4
121.10168	9.8
123.04441	1.6
123.08070	9.5
123.11675	1.7
124.99973	2.7
125.05985	1.6
125.09638	18.1
128.06175	1.7
129.05478	14.8
129.07008	5.0
131.08580	13.1
133.06476	5.4
133.10130	12.0
135.08049	4.9
135.11696	9.8
137.09612	6.0
141.50008	1.4
143.07076	4.2
143.08551	4.6
143.10678	1.5
145.10126	14.0
147.08037	6.6
147.11664	6.8
149.09616	5.2
149.13295	3.6
151.11142	3.7
153.09145	1.6
153.12752	1.6
155.08569	1.9
157.08591	6.4
157.10144	4.7
159.11684	5.0
161.09592	3.3
161.13295	2.0
163.11160	9.1
165.09149	2.8
171.10211	1.9
171.11646	2.2
173.09608	1.9
173.11752	2.9
175.11172	4.5
177.12749	1.6
181.12126	1.4
183.11710	1.4
184.07309	8.6
185.11638	1.3
189.11177	9.1
191.10674	2.7
193.12218	4.1
199.13272	5.7
200.14101	1.4
201.12903	1.5
205.12276	1.5
209.11772	6.0
211.13312	3.6
223.13297	18.2
227.12772	20.1
229.14310	4.2
249.14832	3.1
253.14420	5.9
255.15800	2.4
267.15945	9.6
273.18472	16.8
275.20065	5.4
283.15424	16.0
284.15939	1.7
291.19540	100.0
292.19952	2.6
301.16458	35.5
328.63989	1.4
347.22287	1.6
349.23746	7.4
365.23236	41.2
437.25323	3.0
463.27127	2.1
477.28726	2.7
479.26328	1.9
493.28394	2.0
519.32861	1.9
557.34662	12.3
573.34375	8.5
574.34668	5.9
591.35229	52.6
592.35675	2.5
665.47607	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	788.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.6
55.05510	25.8
55.05778	1.3
55.48110	0.7
57.03441	7.8
57.07072	1.6
59.04999	2.8
61.02919	3.2
64.89840	0.8
65.03938	2.3
66.02086	0.7
67.05502	69.8
68.05824	1.2
69.03432	10.2
69.07066	32.6
70.07385	1.0
71.04990	26.5
73.02924	1.2
76.13673	0.8
77.61917	0.7
79.05492	34.7
81.03420	6.4
81.07055	95.2
83.04981	6.8
83.08617	13.8
85.02901	2.8
85.06539	8.4
86.09712	2.9
87.27560	0.7
91.05476	34.3
92.05824	0.9
93.06441	1.7
93.07040	30.7
94.07384	0.9
95.04968	10.7
95.08603	16.1
96.32131	0.8
97.02891	12.4
97.06524	8.0
97.10165	11.9
99.08070	1.8
105.03358	0.7
105.04518	2.0
105.07027	22.3
105.07737	1.3
106.07369	1.0
107.04957	6.0
107.08591	23.9
109.02889	1.2
109.06519	5.2
109.10150	12.9
111.04392	1.2
111.08083	4.3
113.06100	0.8
115.05449	1.3
117.07022	8.8
119.08584	13.2
121.06451	4.3
121.10138	9.7
123.08066	4.7
123.11708	11.2
124.99994	1.3
125.09628	10.4
127.03835	0.8
128.06190	0.9
129.06987	4.2
131.08568	11.2
133.06468	1.9
133.10129	21.4
135.08075	3.5
135.11691	5.6
137.06001	1.3
137.09628	2.2
139.11215	0.9
143.08572	3.0
143.52745	0.8
145.10130	7.6
147.08015	5.0
147.11627	4.6
149.09608	2.2
149.13269	7.4
151.07425	0.9
151.11183	8.1
153.09143	1.4
157.10100	2.8
159.11705	7.6
161.09641	2.8
163.11165	1.8
165.09067	1.7
165.12846	0.7
169.10211	1.0
169.12263	2.0
171.11708	2.1
175.11215	2.5
177.12784	4.4
183.13818	2.4
184.07321	8.2
185.13254	1.0
187.13315	3.3
189.11238	3.2
195.13789	3.5
201.14911	0.8
205.12242	2.6
207.13882	0.8
223.13268	18.4
225.14841	5.0
227.12785	4.1
243.16014	0.9
245.19110	1.9
249.14844	1.3
250.04807	0.7
253.14415	2.2
257.17551	3.3
267.15982	1.6
269.17453	12.2
273.18469	13.1
291.19525	80.2
292.19830	2.2
301.20074	29.3
309.20563	1.2
347.22217	2.8
349.24149	0.8
365.23218	21.9
365.27576	1.5
366.23724	1.0
412.38214	0.8
427.27011	1.2
435.27151	0.9
440.85013	0.9
451.27527	0.9
453.28247	1.2
461.29019	1.8
479.29953	1.1
511.32452	2.1
515.33582	3.7
525.53955	0.8
533.34723	100.0
534.34900	4.4
541.35211	3.9
547.36249	17.6
559.36261	74.0
560.36725	3.0
573.37262	1.2
591.38934	33.4
592.39789	0.9
649.48694	1.0
789.38904	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.0
55.05509	7.9
57.03435	5.1
61.02920	0.6
65.03947	1.2
67.05505	15.6
67.05864	0.8
69.03429	1.7
69.07068	12.8
71.04981	1.4
71.18954	0.6
73.02908	0.8
76.45742	0.4
77.03946	0.5
79.05493	14.7
81.03418	27.4
81.07058	21.3
83.04978	3.6
83.08623	6.8
85.02892	0.6
85.06548	1.4
85.33981	0.4
91.05479	24.7
93.07045	13.8
94.34667	0.4
95.01317	3.4
95.04964	10.3
95.08606	10.4
95.09202	0.7
97.02902	1.7
97.06532	10.4
97.10152	2.1
99.08101	0.9
103.05466	0.5
105.04545	0.7
105.07029	28.8
107.04965	6.7
107.08588	8.5
109.06506	2.9
109.10162	4.9
111.04449	1.4
111.08060	2.3
113.09621	0.5
115.05462	0.7
115.08736	0.5
117.07020	5.0
119.04941	0.6
119.08578	16.3
119.09425	0.9
121.06516	2.4
121.10142	5.1
123.04426	0.6
123.08082	1.7
123.11697	1.0
125.09623	1.9
128.06323	0.5
129.05493	1.0
129.06985	4.0
131.08572	10.6
131.36127	0.4
133.06512	1.2
133.10132	18.1
134.10507	0.5
135.08058	1.4
135.11691	3.1
137.09628	1.1
139.07542	0.6
141.06926	0.6
142.07787	1.1
143.08562	1.4
145.06479	1.0
145.10136	7.3
147.08057	1.4
147.11674	7.4
149.09637	4.5
149.13347	0.9
151.11171	2.9
155.08603	0.6
157.08760	0.6
157.10118	4.7
159.08076	0.6
159.11665	4.3
161.13271	2.4
163.11179	3.2
165.09105	0.7
165.12727	0.8
169.10124	1.1
171.11726	0.8
173.13306	1.2
175.11174	3.4
177.12810	1.4
179.14316	4.7
183.11757	0.9
184.07510	0.8
185.13316	0.5
187.11214	1.6
193.12239	6.3
195.13879	0.5
205.12271	0.8
211.13292	1.3
219.17451	0.5
227.12888	0.9
239.17969	0.5
241.14505	0.4
247.20490	0.8
249.14877	0.7
253.14310	4.2
257.18988	2.0
267.15903	40.4
268.16260	0.7
273.18500	1.7
275.20074	19.8
276.20447	0.6
291.19601	1.6
292.19180	1.0
293.21078	1.1
301.16586	1.6
349.23718	16.8
350.24326	0.8
365.23251	1.4
379.48029	0.4
447.27170	0.6
497.27420	0.7
541.35217	100.0
542.35571	5.4
559.36121	3.7
575.88068	0.5
583.36108	0.9
586.46844	0.6
591.34583	2.3
616.19635	0.5
649.37244	0.7
695.01593	0.5
788.49615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
55.05254	1.9
55.05513	26.6
57.03176	1.7
57.03436	19.5
57.07084	3.1
59.04998	3.6
61.02925	5.0
62.20165	0.8
65.03936	3.4
67.05506	100.0
69.03436	5.8
69.07069	25.4
71.04991	16.5
73.02912	2.9
79.05492	45.3
80.05826	1.0
81.03410	11.1
81.07058	87.4
83.04989	13.0
83.08621	18.1
85.02900	12.3
85.06547	7.0
86.09717	2.6
87.04483	2.1
91.03911	1.1
91.05478	35.0
93.07045	54.2
95.01315	0.8
95.04968	12.0
95.08611	26.6
97.02908	4.9
97.06530	13.4
97.10172	10.0
99.04466	1.3
99.08083	3.7
103.03936	0.9
105.04533	2.4
105.07028	21.5
107.04979	4.4
107.08597	31.2
109.06519	5.7
109.10152	37.8
109.10890	1.9
110.11574	0.9
111.04464	1.8
111.08094	7.8
113.05928	0.9
113.09622	0.9
115.05470	1.2
117.07010	10.3
119.04899	1.2
119.08587	17.3
121.06525	3.3
121.10152	17.6
123.08075	3.2
123.11718	5.9
125.00012	1.3
125.09615	7.6
127.03916	1.9
129.05499	3.0
129.07007	3.8
130.07895	1.1
131.08574	12.8
133.10130	20.1
135.08101	2.5
135.11705	11.4
137.09666	2.6
139.11160	1.4
141.09178	0.9
143.08589	3.0
145.10139	7.4
147.08064	1.1
147.11681	7.5
149.09634	3.0
149.13249	20.0
151.11209	4.7
153.12753	2.4
155.08585	1.5
155.10672	2.6
157.10161	1.9
159.11693	13.8
161.13324	2.0
163.11185	6.2
165.09113	2.5
165.12813	1.4
167.14311	1.0
169.10115	2.1
171.11707	2.7
173.11792	10.1
173.13235	1.9
177.12755	5.6
179.14330	1.4
181.12291	1.6
183.11742	1.7
183.13820	1.5
184.07407	5.7
185.13280	1.4
189.12666	1.0
191.10651	1.8
195.13815	11.5
199.13309	2.7
207.13849	1.1
209.11739	3.7
211.13322	1.0
213.14818	2.0
227.12761	7.7
229.14345	27.8
241.19688	1.1
243.15790	1.3
257.17386	1.1
259.20508	2.6
265.14441	2.5
267.15900	4.3
267.18445	0.9
269.17480	58.7
270.17780	1.6
275.20065	5.0
283.15463	3.7
293.21237	1.6
297.16949	1.1
301.16470	6.5
301.20102	5.6
333.24289	2.5
349.23737	3.3
393.26263	2.0
399.23770	8.3
411.27316	2.1
423.27426	41.3
424.27759	1.8
437.28986	8.1
443.51547	1.1
449.29007	3.0
451.30515	3.1
459.26923	2.1
461.28787	2.6
463.30322	1.8
477.28311	2.2
478.29221	1.2
479.29373	1.0
495.29388	5.4
495.33356	3.8
501.35764	6.7
505.72739	1.2
513.30524	2.0
515.37213	1.8
517.35327	5.6
527.37463	4.2
543.36591	3.3
559.39789	1.6
575.38660	1.7
593.36847	26.9
594.36658	1.3
723.38647	1.6
790.38983	2.5
791.42163	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	790.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05509	23.7
57.03438	17.3
57.07075	2.9
59.04998	3.2
61.02924	4.1
65.03938	3.8
67.05505	100.0
69.03433	5.4
69.06709	1.2
69.07069	24.3
69.94837	2.2
71.01353	2.0
71.04996	14.4
71.08630	1.2
73.02905	2.7
79.05491	41.7
81.03413	13.8
81.07057	84.4
83.04974	9.6
83.08623	17.3
85.02908	12.1
85.06539	6.2
87.04468	3.1
91.03953	1.5
91.05481	32.6
92.05749	1.4
93.07043	49.9
94.07364	0.9
95.04977	10.7
95.08605	26.3
97.02890	5.6
97.06538	11.6
97.10157	10.0
98.22793	1.2
99.04484	1.1
99.08103	4.5
105.04498	2.0
105.07029	16.3
107.04961	4.4
107.08593	28.8
109.02862	1.1
109.06535	5.4
109.10159	37.6
111.04433	2.1
111.08084	7.3
115.05416	0.8
117.07017	10.2
119.08580	13.7
121.06464	1.7
121.10134	14.6
123.08057	3.0
123.11716	5.1
125.09644	9.9
127.03895	1.0
129.05446	2.2
129.06993	2.7
131.08562	11.7
133.10124	14.6
135.08058	2.9
135.11693	9.7
137.09586	3.2
137.13287	1.1
139.11154	1.7
143.08560	1.0
143.10666	1.3
145.10088	5.9
147.08005	1.0
147.11681	4.6
149.09628	3.7
149.13263	23.7
151.11150	2.7
153.09094	1.1
153.12753	2.6
155.08528	1.1
155.10664	2.3
157.10120	2.1
159.11702	13.8
160.23325	0.9
161.13242	1.3
163.11185	7.3
165.09138	2.5
165.12752	1.3
171.11736	1.6
173.09573	2.1
173.11743	11.7
173.13232	1.8
175.11125	1.7
177.12759	4.6
181.12256	2.5
183.11766	0.8
185.13278	1.0
187.13243	1.6
191.10661	3.4
193.12231	2.3
195.13817	12.8
199.13289	3.7
209.11787	4.0
211.13319	1.2
213.14813	1.3
227.12793	6.9
229.14340	29.4
243.15887	1.7
251.16501	0.8
259.20584	1.2
265.14398	2.4
267.15915	4.2
269.17477	72.7
270.17700	1.4
275.20093	3.5
283.15427	5.8
293.21036	1.3
295.05688	0.9
301.16446	6.9
301.20035	5.3
315.23233	1.1
333.24112	1.7
335.25848	1.1
349.23718	2.1
393.26309	2.4
399.23828	9.7
411.27289	3.0
423.27405	52.9
424.27609	1.8
437.29080	6.1
449.29199	1.5
451.30353	2.1
459.27185	1.3
461.28845	3.4
463.30383	2.4
477.28308	3.8
478.29016	1.6
495.28555	8.4
501.35751	4.0
513.30634	1.6
517.35266	4.4
527.36908	1.2
543.36401	2.3
559.39697	0.9
561.37463	1.1
575.38525	1.1
593.36841	26.9
594.36932	1.1
790.38306	6.7
791.41016	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	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	17.5
55.05256	3.0
55.05511	41.2
57.03177	2.5
57.03437	26.8
57.07083	3.7
59.04995	3.4
61.02931	11.0
63.25208	1.4
65.03934	4.2
67.05505	100.0
69.03425	12.2
69.07069	52.2
69.58364	1.4
70.93320	2.8
71.01345	2.7
71.04997	10.3
73.02913	3.8
77.03924	3.3
79.05494	78.3
81.03416	68.6
81.06566	4.3
81.07055	89.9
83.04985	25.6
83.08618	33.7
85.02901	25.2
85.06543	7.1
91.03951	2.0
91.05482	87.0
93.07043	70.6
94.07340	1.8
95.04967	47.3
95.08012	3.6
95.08608	49.7
97.02894	12.2
97.06528	27.4
97.10171	17.8
98.07361	1.8
98.49883	1.5
99.08089	5.4
101.84874	1.5
103.05486	2.4
105.04504	4.5
105.07034	62.7
107.04248	2.8
107.04939	21.7
107.08600	37.0
109.02872	4.2
109.06522	12.5
109.10153	35.2
111.04461	5.4
111.08097	19.3
113.06012	3.5
115.05441	4.8
116.04709	4.1
117.07006	16.0
119.08585	41.8
121.06487	7.1
121.10155	25.3
123.08044	12.1
123.11704	6.4
125.09634	16.8
127.03921	3.9
128.06198	2.3
129.05528	10.2
129.06982	19.5
131.08571	30.6
133.06509	4.9
133.10130	40.1
135.08076	6.0
135.11679	15.4
136.08810	1.6
137.09634	16.0
141.06932	2.6
142.07806	3.0
143.07014	3.4
143.08510	5.0
145.10132	17.4
147.08037	3.1
147.11671	25.3
149.09612	29.3
149.13293	6.1
151.11203	4.5
153.09146	2.6
155.08571	3.3
155.10674	3.3
157.08656	6.6
157.10138	22.4
159.11647	13.2
161.09656	3.7
161.13306	6.6
163.11189	17.0
165.09004	2.2
165.12766	6.8
169.10091	2.6
171.06529	1.9
171.10269	3.1
171.11664	3.3
173.04517	2.2
173.09615	3.1
173.11752	8.1
173.13263	5.9
175.11192	19.6
175.74626	1.6
177.12723	6.1
179.14246	3.9
181.12183	2.2
183.11713	2.1
187.11177	1.7
187.13298	2.0
189.11285	5.7
191.10693	1.8
191.14397	2.2
193.12219	49.8
195.13800	3.5
197.13261	2.2
199.13234	4.5
211.13284	64.3
223.13130	1.7
227.12677	10.5
227.17903	2.8
229.14395	11.1
229.19539	2.2
239.17888	2.6
243.15974	3.3
245.18889	1.9
249.14957	3.6
253.14337	2.7
255.15904	6.6
257.18985	8.7
267.15857	28.4
269.17462	12.3
273.18625	3.7
275.20065	39.6
283.15451	4.9
285.16968	45.0
291.19565	8.3
293.21024	3.6
301.16473	26.9
331.22516	3.0
349.23721	44.1
350.23877	2.8
365.23376	3.4
367.24829	3.3
381.22668	4.2
421.25726	2.7
423.27393	2.1
435.27307	2.2
439.26855	16.1
447.27438	4.1
453.28055	4.2
463.30411	6.9
465.28516	3.2
479.29785	3.1
481.27762	3.5
495.29364	9.2
507.29297	2.6
541.35107	14.8
557.35046	2.5
559.36328	35.3
575.35968	11.2
577.37067	4.1
593.36261	2.9
680.46118	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	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	14.2
55.05258	2.6
55.05513	38.3
55.17319	1.6
57.03436	31.1
57.03702	3.2
57.73238	1.6
59.19725	1.6
61.02921	6.0
65.03936	6.3
67.05506	98.6
69.03433	22.0
69.06707	3.6
69.07068	59.4
69.15864	11.1
71.01344	2.0
71.04994	28.9
73.02914	6.3
77.03924	1.6
79.05495	93.7
81.03418	82.9
81.07056	100.0
83.04980	32.0
83.08617	30.5
85.02909	34.6
85.06543	5.8
85.07075	1.3
87.04484	2.5
91.03954	2.8
91.05481	86.8
93.07045	76.3
95.04972	43.5
95.08604	43.9
97.02896	15.6
97.06533	84.2
97.10180	11.0
98.22705	3.2
99.04471	5.3
99.08090	5.6
103.05464	2.5
105.04504	4.0
105.06348	4.0
105.07033	66.2
105.07739	3.4
107.04951	22.6
107.07929	2.9
107.08602	41.2
109.02861	3.5
109.06516	26.8
109.10147	19.9
111.04449	3.7
111.08098	18.4
113.06000	4.5
115.05454	6.0
115.07568	20.5
117.07012	26.0
119.04878	1.6
119.08586	42.7
121.06530	11.6
121.10147	23.1
123.08067	15.3
123.11710	4.4
125.09629	5.4
127.03928	8.5
127.07535	3.5
128.06209	3.7
128.41397	1.6
129.07011	24.7
129.92676	1.7
131.08572	34.2
133.06473	9.0
133.10139	36.0
135.08044	11.4
135.11700	13.9
137.09615	4.7
141.06993	3.6
142.07750	4.5
143.08549	6.2
145.04971	1.7
145.06534	2.9
145.10127	17.0
147.08057	12.9
147.11693	20.6
149.05905	1.8
149.09622	12.0
149.13277	10.2
151.11165	6.6
153.12720	2.5
155.08583	4.1
157.10153	22.2
159.08026	1.9
159.11693	12.9
161.09630	6.8
161.13330	3.0
163.11183	11.2
165.09137	2.1
165.12785	4.5
166.04759	1.8
167.08501	3.3
169.10139	2.3
171.10287	1.8
171.11705	4.6
173.04485	5.3
173.09627	4.0
173.13309	3.8
175.11172	18.5
177.12759	6.8
183.11684	4.0
185.09698	3.3
185.13268	3.2
189.11194	2.3
189.12776	1.9
191.10597	2.0
193.12244	43.0
195.11914	2.0
195.13788	6.0
197.13303	2.2
199.14784	3.5
211.13287	60.0
217.15912	10.6
221.15379	1.9
227.12770	6.6
227.17928	2.3
229.14400	5.3
231.13818	1.8
245.19159	3.8
251.16502	2.2
252.73404	1.7
253.14333	3.7
255.17444	4.9
267.15900	22.9
269.17480	24.1
273.18463	29.8
275.20093	7.2
283.15393	18.8
285.16965	54.5
285.19949	3.5
291.19516	19.5
307.19055	2.9
319.22760	1.9
347.22098	12.5
349.23730	3.1
365.23288	11.0
383.24255	2.9
422.82132	1.8
437.24158	2.7
437.28964	8.7
447.27887	2.9
461.29202	10.5
465.29172	5.1
477.28571	17.5
479.30130	25.3
483.31149	3.0
499.30334	3.1
539.33521	5.7
557.34686	19.0
575.35785	22.6
578.38660	1.8
593.37061	8.3
628.40131	6.0
758.43823	2.1
790.45386	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	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	21.6
55.05512	44.5
56.60624	2.1
57.03437	30.3
57.07072	4.3
61.02913	4.6
61.63805	2.3
65.03943	2.2
66.07364	1.9
67.05502	97.7
69.03432	14.0
69.07067	35.7
70.04221	1.8
70.68047	2.8
71.01346	6.7
71.04996	12.7
73.02910	5.7
77.03910	4.0
79.05487	81.7
81.02962	3.8
81.03413	59.0
81.07054	100.0
82.04201	3.1
83.04974	28.4
83.08617	32.1
85.02905	18.8
85.06557	9.0
86.00790	1.8
91.03943	2.6
91.04878	2.2
91.05473	74.4
93.07041	75.3
95.04972	34.6
95.08604	42.9
95.09209	2.5
97.02887	14.8
97.06534	25.3
97.10152	18.7
98.07307	6.1
99.04431	4.4
99.08057	6.0
103.05418	2.0
105.04499	5.4
105.07022	52.9
107.04943	18.1
107.08585	44.2
109.02849	2.7
109.06513	16.0
109.10152	18.4
111.04426	4.8
111.08067	15.3
113.05988	2.7
115.05486	3.3
116.04737	9.7
117.07014	20.2
119.08582	36.1
121.06493	7.8
121.10127	21.6
123.08060	12.0
123.11684	3.9
125.09629	17.3
127.03886	3.9
129.05496	22.5
129.06975	14.7
131.08565	29.9
133.06445	4.0
133.10120	40.4
135.08038	7.9
135.11690	24.2
137.09602	7.5
141.06963	2.0
143.07025	4.2
143.08537	4.3
145.10121	17.2
147.08070	5.3
147.11664	21.1
147.34769	1.9
149.09584	15.7
149.13255	15.5
151.11153	3.7
155.08527	3.5
157.08583	7.4
157.10117	14.4
159.08014	2.5
159.11681	11.3
161.09622	2.3
163.11140	15.4
165.12779	5.1
171.06506	3.6
171.10201	4.7
171.11635	2.8
173.04510	2.3
173.11749	5.1
173.13254	5.2
175.11201	11.9
175.14935	2.5
177.12749	5.7
179.14226	2.6
181.12234	5.5
184.07388	3.5
185.11697	1.9
185.13228	4.4
189.11182	5.2
191.10608	2.5
193.12251	34.7
195.13766	8.1
199.13255	6.3
201.12711	2.2
209.11722	5.0
211.13281	30.8
223.54950	2.2
227.12750	14.6
229.14351	4.2
243.15912	4.8
253.14270	4.8
255.15849	18.3
257.18967	4.7
264.36194	2.1
267.15921	18.0
269.07724	2.4
269.17493	31.7
273.18497	3.7
275.20010	16.8
283.15372	7.6
285.16937	25.7
291.19513	5.2
299.14859	2.9
301.16446	51.8
331.22635	2.8
349.23752	12.6
365.23038	2.3
409.25879	3.2
411.27365	2.2
423.27170	9.5
435.27414	3.3
447.27219	5.0
461.28775	6.8
465.28186	4.9
477.28262	7.2
478.29062	3.9
481.27829	11.8
495.29495	33.6
543.36987	3.0
553.73981	2.9
557.34467	3.1
575.35754	11.9
593.36768	2.2
786.75006	2.7
791.40857	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
55.05256	2.2
55.05509	30.0
55.62343	1.2
57.03441	14.1
57.07068	2.7
57.20537	1.1
59.04999	1.7
61.02923	3.0
65.03939	2.8
67.05503	64.6
69.03423	8.0
69.07064	21.1
71.04987	14.1
79.05491	52.3
81.03418	41.2
81.03893	2.1
81.07055	65.4
82.07407	1.2
83.04978	9.2
83.08178	1.8
83.08623	18.9
84.77632	1.1
85.02895	3.3
85.06542	6.5
91.05480	57.9
93.07043	55.3
94.20335	1.2
95.04971	22.0
95.08605	31.9
97.02893	3.5
97.06506	8.5
97.10174	12.1
98.22686	2.6
99.08104	3.8
103.05492	1.6
105.04540	3.2
105.07026	47.3
107.04945	7.4
107.08589	30.0
109.06537	6.7
109.10149	17.1
111.04433	1.3
111.08070	6.8
113.09669	1.5
115.05515	2.2
117.07026	22.2
119.04942	1.5
119.08582	35.7
121.06507	5.1
121.10137	23.0
123.04408	1.3
123.08068	4.8
123.11715	5.7
125.09612	10.0
126.41993	1.1
128.06223	3.6
129.05492	2.1
129.06990	14.2
130.07768	2.1
131.08566	25.7
133.06519	2.5
133.10123	28.4
135.08037	4.3
135.11694	12.6
137.09592	4.3
139.11209	1.9
141.06966	4.7
142.07797	2.9
143.08563	12.1
144.09317	1.1
145.10123	22.9
147.08035	4.6
147.11685	18.8
149.09616	4.9
149.13242	8.0
151.11160	5.7
153.09058	1.4
155.08566	4.6
157.06514	1.3
157.10117	16.9
159.08075	2.3
159.11696	23.0
161.09665	1.9
161.13258	9.7
163.11168	4.8
165.12759	1.8
167.08621	1.4
169.10129	9.2
171.11653	11.5
173.09605	1.9
173.11855	2.5
173.13239	10.6
175.11172	5.6
175.14827	4.7
177.12750	3.1
181.10159	4.0
183.11659	8.5
185.09595	2.3
185.13254	9.2
187.11084	1.4
187.13271	1.8
187.14783	2.7
189.11226	4.9
189.12737	1.5
191.14110	1.5
193.10532	1.2
193.12206	5.3
195.11691	4.7
195.13747	1.0
197.13261	5.2
199.14827	3.8
201.16479	2.6
203.14359	2.3
209.13281	4.8
211.14842	2.3
215.14378	1.6
217.15877	1.4
221.13278	2.2
223.14926	2.4
227.12703	9.0
229.14371	3.1
231.21037	1.4
235.14824	1.5
239.18069	1.7
241.19585	3.9
243.15953	1.9
257.19006	4.3
259.20566	12.8
267.15906	15.9
269.17435	4.2
271.20706	1.4
275.20142	5.7
283.15485	1.3
283.20660	1.7
285.22223	1.4
291.19913	1.1
299.23669	4.2
301.19864	6.4
313.21704	1.5
315.23151	1.6
331.22833	1.5
333.24301	11.1
349.23926	6.3
353.24762	1.3
355.22571	1.5
357.24387	1.5
415.29947	1.3
417.26355	1.6
421.25815	8.7
433.30923	8.0
435.27658	6.1
437.28845	1.2
443.28116	1.6
445.29596	1.4
449.29205	2.3
451.32004	9.8
461.28534	1.5
463.30582	2.4
469.33130	4.7
495.33765	2.8
499.34241	5.0
503.33414	3.1
507.34717	4.4
517.35266	10.1
525.35760	49.3
526.35883	2.1
539.37329	1.3
543.36804	100.0
544.37140	3.7
557.38403	11.5
575.39563	19.4
585.37457	1.3
669.40173	2.6
687.40936	1.7
705.41254	1.4
791.40698	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.0
55.05509	29.3
56.32605	1.1
57.03431	14.9
57.07071	4.2
61.02927	4.0
65.03936	3.3
67.05500	78.4
69.03425	10.4
69.07063	30.4
70.07401	1.1
71.04991	25.4
71.07391	1.0
71.08616	1.2
73.02911	3.1
77.03926	1.3
79.05486	51.4
80.05812	1.7
81.03416	19.5
81.07052	100.0
82.03753	2.5
82.04209	1.3
82.07405	2.2
83.04971	13.7
83.08616	14.7
84.08952	1.1
85.02905	6.8
85.06544	7.8
86.09723	1.0
91.03963	1.5
91.05476	57.5
92.05807	1.8
93.07039	52.4
95.01315	2.1
95.04964	18.4
95.08601	29.6
97.02889	8.5
97.06532	17.2
97.10140	8.7
98.07326	2.7
99.04465	1.8
99.08098	4.4
101.06071	1.6
103.05444	1.6
105.04504	2.6
105.07026	47.7
106.07371	2.2
107.04940	7.9
107.08591	35.0
107.89700	1.0
109.02927	1.4
109.06514	6.5
109.10151	17.1
111.04465	1.7
111.08060	8.7
113.09634	1.8
116.04712	4.2
117.07014	15.6
119.08581	25.6
121.06514	5.6
121.10141	16.8
123.08060	6.5
123.11681	9.4
125.09637	9.6
127.03932	3.0
127.07603	1.9
128.06187	1.8
129.05478	11.4
129.06992	7.8
131.08566	23.3
132.09120	1.1
133.06427	2.1
133.10120	34.9
134.10472	2.7
135.08046	6.0
135.11676	14.0
137.09636	3.9
139.11174	1.4
141.06940	1.9
142.07857	1.7
143.07079	2.4
143.08557	4.7
145.10117	14.9
147.08080	2.2
147.11688	16.9
149.09599	10.6
149.13251	12.7
151.11186	7.7
153.09108	1.5
155.08530	2.7
157.08606	4.3
157.10127	8.1
159.11693	14.9
161.13217	8.3
162.59177	1.2
163.11179	6.7
165.12755	2.8
169.10071	2.2
171.10278	2.0
171.11722	5.3
173.04482	2.7
173.11897	1.4
173.13297	5.0
175.11188	3.2
175.14806	2.5
177.12743	6.1
179.14262	2.9
181.12164	1.6
183.11642	1.8
183.13875	2.4
184.01849	1.2
184.07375	4.5
185.13237	1.7
187.13248	3.8
187.14818	1.9
189.11235	5.0
193.12286	4.3
194.12703	1.3
195.13853	5.1
197.13287	1.6
199.13231	1.6
199.14845	1.2
207.13661	1.9
209.11690	1.7
211.13190	1.3
225.14891	1.8
227.12759	10.5
229.14435	2.8
233.15401	1.3
239.17914	1.5
241.19521	3.1
243.15944	3.0
251.16505	1.9
253.14368	2.2
255.15926	2.0
257.19217	2.6
259.20560	9.5
267.15891	9.8
268.16336	4.2
269.17477	14.3
275.19998	18.9
276.20386	1.7
283.15533	1.6
285.16895	3.3
293.21100	3.0
301.16449	21.2
301.20111	12.5
327.68027	1.1
333.24289	7.0
349.23740	15.0
350.23999	1.6
351.24866	1.6
377.62955	1.2
423.27344	4.4
427.26831	1.5
437.29089	17.0
445.29694	1.6
449.28986	10.7
451.30569	5.2
461.29007	1.9
463.30615	14.3
481.31500	2.4
495.33453	24.8
517.35236	24.8
525.35938	4.2
531.36945	2.4
535.35590	1.6
541.35162	5.4
542.35638	6.9
543.36304	26.9
559.36163	3.9
561.37317	3.1
575.39429	11.0
581.33228	1.6
593.39380	1.3
607.34534	2.5
639.36420	2.5
791.39148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.3
55.05258	1.3
55.05515	21.0
57.03437	14.8
57.07079	2.4
59.04998	1.7
60.96981	0.9
61.02927	4.4
62.54179	1.0
65.03942	3.7
67.05506	80.3
68.05847	2.4
69.03422	7.8
69.07069	24.2
69.75343	2.4
69.75673	1.5
71.04996	37.9
71.08612	2.2
73.02930	2.1
77.03922	1.3
79.05495	48.0
81.03428	7.7
81.07058	100.0
82.07388	3.2
83.04991	10.7
83.08619	13.4
85.02901	8.5
85.06557	7.6
86.09721	1.5
87.04469	1.7
91.03938	1.6
91.05481	56.1
92.05801	1.4
93.07045	49.7
95.04971	11.3
95.08604	31.5
95.09212	1.5
97.02911	5.7
97.06541	13.3
97.10175	4.4
99.04489	2.0
99.08083	3.6
103.05491	1.3
105.04530	2.0
105.07029	43.3
107.04948	3.7
107.08595	30.3
109.02839	1.9
109.06531	7.1
109.10159	23.5
110.10464	1.2
111.04462	1.8
111.08083	6.5
115.05477	1.4
117.07022	16.1
119.08582	24.2
121.06513	4.5
121.10138	14.8
122.06911	1.1
123.08068	3.8
123.11710	13.9
125.09642	4.6
127.03947	2.7
127.07582	1.1
128.06245	1.1
129.05466	3.4
129.06985	5.0
130.07816	1.4
131.08574	22.0
131.09558	1.1
133.06551	1.3
133.10132	37.7
134.10457	1.8
135.08061	2.5
135.11682	11.6
137.09644	2.7
139.11188	2.0
143.08566	6.2
145.06624	1.0
145.10126	11.2
147.08080	1.6
147.11673	15.4
149.09607	5.4
149.13249	12.6
151.11171	9.4
155.08623	2.0
157.10117	5.3
159.11694	17.1
161.09702	1.6
161.13258	7.7
163.11177	2.6
167.47937	1.0
169.10132	2.4
169.12215	1.5
171.11714	5.6
173.04424	1.3
173.11812	2.1
173.13280	4.7
175.11130	1.9
175.14900	1.6
177.12709	5.3
179.14294	1.5
183.11769	1.6
183.13811	5.6
184.07343	4.6
185.13249	2.9
187.13333	4.9
187.14755	1.3
195.12169	1.3
195.13823	8.4
197.13269	1.2
199.14864	1.4
201.14822	1.5
207.13841	1.6
213.16437	1.1
225.14780	2.6
227.12788	1.3
227.16335	1.2
229.14207	7.0
231.21161	1.2
235.44600	1.1
241.19556	3.6
243.15938	4.8
253.14377	4.4
254.14766	2.9
257.17523	4.9
259.20584	12.9
267.16025	1.2
269.17462	19.7
273.18542	1.1
275.20099	8.9
293.21112	5.4
299.18802	1.2
301.16690	1.4
301.20038	20.3
302.20547	1.7
315.23349	1.9
331.22781	1.5
333.24332	10.1
349.23682	4.7
367.24417	1.9
371.25974	1.2
399.23788	2.9
409.31046	1.7
419.28079	1.3
423.27252	5.9
435.32504	2.2
437.29044	16.1
449.29123	2.2
451.30704	7.8
461.28787	1.1
463.30661	3.2
465.28085	1.1
475.30569	2.0
483.34143	1.7
495.33356	18.5
499.33737	1.5
501.29034	2.2
501.35809	30.8
517.35297	13.5
527.37329	14.8
531.36401	1.2
533.38464	1.8
534.34479	1.5
535.35913	6.5
543.36572	3.4
544.03638	1.1
545.38782	2.3
549.36835	1.3
559.40015	8.8
561.37439	4.5
575.39093	2.8
577.41357	1.2
592.38959	1.9
593.37476	8.4
689.46844	1.0
791.40619	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	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
55.05511	37.5
56.44859	1.0
57.03190	1.3
57.03442	20.7
57.07067	4.1
59.05003	36.2
61.02908	4.1
65.03931	2.6
67.05505	100.0
68.05818	1.5
69.03436	5.5
69.07067	18.3
71.01344	2.0
71.04996	12.0
71.08608	2.3
73.02894	1.6
78.04747	1.3
79.05042	2.2
79.05494	42.9
81.03420	12.3
81.07056	60.8
83.04996	5.5
83.08627	14.6
85.02905	7.0
85.06532	3.9
86.09689	5.5
87.04469	56.9
89.06023	2.6
91.03944	1.2
91.04941	1.8
91.05482	30.2
92.55662	1.3
93.07047	46.4
93.64685	1.1
95.04967	9.9
95.08606	39.7
97.02899	4.9
97.06519	5.2
97.10175	14.6
99.04459	15.9
99.08100	1.6
105.04507	2.0
105.07027	15.1
107.04953	1.7
107.07928	1.8
107.08600	28.0
109.06530	3.5
109.10159	57.1
111.04433	3.4
111.08073	4.3
117.07034	7.7
117.52853	1.2
119.08570	15.2
121.06478	2.0
121.10149	17.8
123.08063	3.2
123.11678	3.8
124.99991	3.4
125.09624	12.0
127.03906	2.6
129.07008	2.0
131.08568	11.2
133.10100	7.7
135.08035	2.3
135.11691	13.3
137.09636	3.3
137.13319	1.6
139.11198	1.4
143.08542	2.0
145.10107	8.2
147.08017	1.1
147.11726	7.3
149.09502	1.9
149.13246	4.3
155.10716	2.7
157.10194	2.2
159.11684	6.0
161.13242	3.2
163.11208	4.4
163.14832	3.1
171.11691	1.5
173.04463	1.6
173.11737	16.8
173.13263	4.7
175.11128	1.1
175.14803	2.2
175.24739	1.3
184.07332	12.2
185.13438	1.4
187.14801	2.2
191.10664	1.9
193.12228	3.1
199.13313	8.9
201.36324	1.4
217.14354	1.7
223.13347	1.6
225.14876	1.6
227.12799	5.9
229.14352	46.3
241.14403	2.7
241.19460	1.2
243.21051	4.5
257.13785	1.8
259.15240	1.9
261.22159	15.1
267.15796	7.6
268.16150	1.4
277.21783	1.6
283.15369	1.7
289.21527	1.3
312.79932	1.1
315.17935	6.3
317.24667	1.4
327.23398	2.0
333.19165	1.6
333.24133	1.9
335.25809	56.9
336.26056	3.8
351.25348	2.2
363.25192	4.2
381.92667	1.3
459.34579	2.1
477.35669	14.6
489.35715	52.3
490.35712	3.3
543.36377	2.0
561.37469	1.5
575.39362	2.8
593.39508	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.7
55.05511	35.9
55.35511	0.7
57.03435	18.6
57.07069	3.5
59.05000	37.1
61.02917	2.6
62.84528	0.8
65.03946	4.3
67.05502	100.0
67.29726	0.8
69.03432	4.5
69.06709	1.1
69.07066	14.8
71.01347	1.2
71.04988	13.1
73.02900	2.2
77.03918	1.2
79.05489	44.1
81.03412	6.0
81.07054	54.5
82.07372	1.0
83.01343	1.0
83.04975	5.2
83.08619	16.7
85.02901	5.1
85.06532	3.0
85.46050	0.7
86.09705	2.4
87.04464	57.9
89.06007	2.0
91.03946	1.3
91.04884	1.1
91.05473	23.9
93.07041	40.7
95.04967	7.2
95.08603	37.2
97.02889	4.1
97.06525	4.1
97.10161	19.1
99.04449	15.4
101.06034	1.2
103.03954	0.8
105.04521	2.4
105.07021	14.0
106.55423	1.0
107.04935	2.2
107.08591	24.5
109.06499	3.2
109.10152	57.9
110.10482	1.1
111.04393	2.1
111.08086	3.9
113.09628	0.9
114.79535	0.9
115.03929	1.3
115.05460	0.9
117.06997	6.1
119.08582	15.7
121.10146	18.3
123.08035	2.3
123.11712	4.3
125.00011	1.6
125.09626	15.1
127.03872	1.1
129.05460	1.2
129.06970	2.3
131.08562	9.5
133.08620	1.1
133.10118	8.7
135.11681	11.5
137.09596	3.8
137.13263	1.6
139.11223	0.8
143.08539	1.0
143.10680	1.9
145.10120	8.7
147.11676	5.7
149.09584	1.7
149.13225	5.3
153.12755	1.2
155.08575	1.4
155.10666	3.5
157.10117	3.0
159.11658	5.6
161.13242	3.8
163.11215	4.7
163.14833	2.3
167.14305	0.9
171.11708	1.1
173.04420	0.9
173.09616	1.8
173.11725	15.5
173.13255	5.8
175.14810	1.2
181.12262	1.4
183.11626	1.0
184.07323	9.5
185.13252	1.6
187.14816	1.7
189.11142	1.2
191.10681	2.3
192.76913	0.8
193.12250	2.4
199.13268	10.5
199.14876	1.5
201.16418	1.6
209.11722	2.0
211.13255	1.7
217.14250	2.0
223.13176	0.9
225.14790	1.3
227.12791	6.8
228.80920	0.8
229.14345	42.1
230.14748	1.0
241.14330	5.1
243.21059	3.6
257.13821	2.0
259.15338	1.6
259.20428	1.5
261.22137	13.0
267.15927	6.8
283.15268	1.0
285.22455	1.1
289.21695	1.0
315.17996	10.3
317.24655	1.8
333.18982	1.7
333.24463	1.0
335.25787	63.4
335.46564	0.8
336.26404	1.8
363.25012	4.2
370.82159	0.8
407.86368	0.8
459.34576	2.5
477.35696	20.6
489.35745	46.3
490.36029	1.5
517.34930	1.1
543.36859	4.3
561.37854	2.4
575.39270	4.3
593.40198	4.4
791.45148	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	791.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.05511	6.1
57.03440	4.2
57.07082	0.9
59.05012	1.7
61.02934	4.2
67.05504	15.8
67.05862	0.8
68.05840	1.0
69.03421	3.5
69.07079	4.3
70.54755	0.6
71.01390	0.7
71.04996	1.8
71.08641	3.8
71.43971	0.7
73.02919	3.1
79.05490	12.8
81.03422	14.2
81.07058	13.7
81.07498	1.1
82.03767	0.9
82.07386	1.3
82.36994	0.6
83.05012	2.6
83.08625	4.8
84.09018	0.6
85.02912	5.0
86.09714	0.7
89.99728	0.7
91.03959	3.4
91.05481	10.7
91.05991	0.9
92.05864	0.7
93.07043	14.4
93.07594	1.1
94.07388	1.6
94.32315	0.6
95.04955	5.4
95.08607	7.6
96.08942	0.7
97.02910	4.8
97.06567	2.5
97.10191	1.9
99.04456	1.1
99.08143	2.2
99.24773	0.8
101.02414	2.1
105.04613	0.7
105.07027	7.8
106.07396	1.2
107.04973	2.9
107.08578	6.6
108.08969	0.8
109.02905	1.5
109.06540	1.5
109.09551	0.7
109.10136	3.7
111.04408	0.7
111.08110	2.2
115.68197	0.6
117.05557	0.7
117.07047	2.4
119.08578	5.7
120.08948	0.9
121.06544	0.9
121.10126	4.7
122.10520	0.7
123.08096	0.9
125.09660	1.3
127.03949	1.7
128.06245	0.6
129.05519	1.4
129.07043	2.1
130.07416	0.8
131.08574	3.3
132.08963	0.6
133.06505	1.1
133.10120	4.2
135.11676	3.5
137.09674	1.1
145.10179	2.6
147.08040	0.8
147.11696	4.1
149.09671	0.8
149.13310	1.9
151.11234	1.8
152.11617	1.0
157.08630	0.6
157.10170	1.7
159.11780	1.9
161.13338	2.0
163.11259	1.2
171.11745	2.3
173.11882	0.8
173.13345	0.9
179.14310	6.5
180.14711	2.2
184.07457	2.2
185.04288	3.4
193.12311	2.1
195.13858	0.6
201.03894	0.7
205.12401	0.7
215.07645	0.7
223.13419	1.3
225.62614	0.6
241.07036	0.8
243.08426	5.3
247.13010	3.0
251.12717	1.0
259.20712	0.8
263.12662	0.9
267.15860	9.8
268.16245	3.7
269.17569	2.0
273.14780	1.4
277.21710	3.6
278.22153	2.7
287.16074	0.6
301.08987	8.0
303.15909	1.3
315.10556	3.4
341.12534	1.2
345.16776	2.0
351.25262	4.8
352.25632	3.2
357.15387	1.1
369.15341	0.8
371.16913	1.7
373.10986	6.2
383.17026	1.0
385.18332	4.9
413.18100	3.1
415.15891	0.8
429.17487	1.9
429.26456	1.5
443.19189	1.8
448.26242	0.6
455.18979	1.5
465.21005	14.0
481.20428	6.4
481.26218	0.7
495.21979	6.3
496.22617	1.2
499.22195	0.9
513.26666	1.1
524.22241	4.5
527.28735	0.8
537.23022	4.8
539.28619	1.1
543.36877	10.1
543.44684	0.9
544.37146	23.1
545.37909	1.5
551.24902	1.4
555.60132	0.7
565.29865	4.0
579.31183	3.6
580.32202	1.8
607.31073	2.0
608.32239	2.9
625.31403	1.1
637.31561	4.0
663.33771	1.9
705.34534	34.3
706.35046	1.5
773.41248	2.9
791.41791	100.0
792.42065	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	792.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.4
57.03445	2.3
61.02930	4.4
67.05505	5.9
67.41263	0.9
68.05042	1.9
69.03438	2.7
69.07087	1.9
70.06599	87.2
70.68383	1.6
71.04993	3.3
71.06934	1.0
72.74807	1.0
73.02905	2.3
79.05506	5.4
79.07951	1.0
81.03428	13.6
81.07047	4.9
82.06606	1.3
83.04984	1.8
83.08632	4.6
83.15875	0.9
85.02920	3.4
86.06069	1.4
91.03984	2.4
91.05497	5.1
93.07052	5.2
95.04977	4.0
95.08631	2.9
96.08144	1.1
97.02924	3.4
97.06548	2.6
98.23271	1.0
99.04475	1.8
100.07601	0.9
100.11253	5.7
105.07033	3.7
107.04955	1.7
107.08614	3.0
109.10176	1.9
111.04450	3.7
111.08076	2.2
119.08592	2.6
119.66665	1.0
121.10152	2.9
129.07028	1.4
131.08595	2.3
133.10167	1.3
135.08151	1.2
135.11742	2.6
140.07068	2.2
142.07726	1.0
142.08676	5.9
147.11749	1.4
149.09619	2.2
153.12822	1.1
157.10150	1.6
163.11215	4.4
175.11205	1.3
179.31369	1.1
181.12279	1.9
182.15437	4.1
191.10698	2.0
193.12265	2.8
209.16583	2.2
210.14926	3.2
227.12840	2.3
227.17766	1.0
236.16531	4.6
254.17532	9.3
267.15848	5.9
278.17542	1.3
296.18570	10.2
310.20267	1.3
314.19659	9.9
328.16962	1.3
328.21176	3.5
370.22238	7.1
388.23254	12.9
402.21124	1.0
520.32635	5.6
562.33759	4.3
580.34863	100.0
581.35370	6.7
679.50958	3.0
742.40143	74.4
743.40662	6.0
774.42114	1.7
792.42444	5.2
792.59363	2.7
793.39478	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	792.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01601	3.6
55.01871	11.5
55.05513	34.3
57.03436	21.1
57.07063	3.0
59.04990	2.9
59.85983	2.8
61.02937	7.3
65.03936	5.0
67.05502	94.4
69.03433	10.0
69.07063	28.4
69.55183	10.9
71.01350	4.4
71.04981	10.0
71.08622	6.1
73.02925	4.2
76.97458	2.8
78.60308	2.9
79.05499	63.2
80.05812	3.6
81.03411	45.3
81.07056	100.0
82.07381	6.1
83.04981	27.3
83.08609	27.6
85.02905	19.0
85.06527	7.8
86.09695	16.4
91.03942	3.5
91.05478	69.4
92.05795	3.2
93.06455	4.1
93.07041	75.1
95.04969	29.2
95.08602	44.0
97.02885	8.9
97.06552	16.4
97.10184	16.1
99.04453	3.6
99.08089	15.5
105.04510	3.4
105.07030	40.3
105.61303	3.1
107.04971	14.1
107.08599	38.1
109.06507	7.3
109.10162	26.6
111.04451	5.0
111.08060	8.8
113.06016	4.6
117.07019	16.6
119.08566	36.4
121.06497	3.9
121.10164	21.1
123.08083	10.2
123.11686	6.4
125.00009	11.5
125.09600	10.9
127.03955	5.7
129.05469	8.8
129.07007	13.6
131.08575	19.8
133.10136	27.1
135.08086	5.9
135.11676	20.2
137.09624	4.6
139.11134	4.5
141.06998	5.1
145.10091	12.8
147.11673	19.6
149.09608	8.9
149.13242	12.4
151.11188	7.1
153.09064	3.3
153.45364	3.4
157.10129	10.6
159.11687	9.1
161.13289	7.4
163.11169	10.9
171.11748	4.3
173.11771	7.4
173.13223	4.6
175.11171	13.0
184.07335	63.9
186.86314	3.1
189.11162	3.4
193.12228	25.0
195.13875	9.0
196.04863	2.7
199.13229	4.0
209.11771	4.3
211.13287	27.4
227.12724	9.7
229.14333	10.6
243.15854	5.1
255.15889	5.7
259.20444	8.5
267.15854	19.5
268.16516	4.5
269.17487	21.8
275.19995	8.8
277.21637	8.5
283.15372	5.4
285.16925	22.5
299.14948	4.8
301.16418	13.7
333.24197	4.0
335.25751	4.0
349.23523	3.2
351.25281	11.1
423.27286	5.3
439.27231	4.1
461.29150	4.6
477.28525	3.7
478.28421	3.5
479.29788	14.9
495.29288	13.2
541.35138	4.3
543.36957	6.1
545.37701	3.2
559.36053	11.8
561.36261	3.6
577.37384	8.7
629.49213	3.4
792.42328	20.4
793.37817	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.0
55.05255	2.0
55.05511	27.0
57.03444	14.9
57.07074	1.7
59.04997	2.1
61.02924	2.3
65.03938	3.4
67.05504	59.7
69.03418	4.6
69.06709	1.7
69.07071	26.6
71.04998	7.6
77.03915	1.1
79.05496	52.1
81.03419	66.7
81.07059	83.8
82.07390	1.3
83.04985	17.5
83.08618	32.3
85.02908	24.5
85.06529	3.4
91.05484	55.3
93.07045	50.3
94.07392	1.5
95.04967	35.0
95.08609	25.9
97.02887	4.6
97.06535	13.8
97.10169	9.4
98.23438	2.4
99.04453	1.1
99.08092	3.6
105.04521	3.5
105.07034	39.6
107.04961	12.2
107.08598	32.6
109.06541	11.4
109.10149	11.1
111.04417	2.4
111.08089	14.4
113.05986	3.3
115.05416	2.1
117.07037	12.2
119.08585	33.9
119.09422	2.2
121.06502	4.9
121.10152	20.1
123.08076	6.2
123.11715	6.0
125.09649	6.9
129.05525	1.1
129.06998	11.7
131.08553	22.3
133.06496	2.7
133.10127	28.6
135.08054	3.5
135.11708	7.4
137.09625	3.1
138.95209	0.9
139.88588	1.0
141.07007	1.5
142.07747	3.7
143.08575	2.6
145.06491	1.1
145.10120	12.7
147.08040	4.3
147.11693	26.8
149.09619	13.0
149.13242	11.0
151.07549	1.3
151.11168	3.3
155.08531	2.5
155.95686	1.0
157.10146	15.8
159.11678	11.8
161.09619	1.6
161.13287	1.7
163.11172	5.3
165.12750	4.3
169.10069	2.2
171.11690	2.9
173.11868	1.1
173.13257	4.2
175.11211	15.1
177.12770	4.7
179.14409	2.4
183.11693	1.3
189.11186	1.5
193.12242	43.2
195.13759	5.0
197.13139	2.1
201.12790	1.1
211.13281	46.2
213.16432	1.1
227.12741	6.5
229.14304	1.8
229.19508	2.0
239.17989	2.3
247.20563	2.3
257.19168	5.1
267.15909	32.2
269.17505	29.3
275.20071	34.4
285.16968	62.7
293.21060	6.6
331.22705	1.8
334.89063	1.0
338.20328	0.9
349.23737	27.7
350.23828	1.3
367.24780	14.4
369.24353	1.6
394.87778	1.0
439.27127	2.3
443.27942	2.3
449.30441	1.7
455.26721	1.4
461.28976	37.2
467.31494	1.3
479.30072	100.0
480.30386	3.1
523.33875	1.4
541.27350	1.5
541.35278	27.2
559.36322	57.6
560.36737	1.9
577.28162	1.9
577.37335	26.8
605.32776	1.6
623.34216	7.3
693.99152	1.0
792.37878	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05257	0.7
55.05514	12.3
57.03441	9.2
57.07080	2.4
59.51994	0.3
61.02937	1.8
61.07088	0.3
65.03941	2.2
67.05504	52.5
68.05843	0.4
69.03426	1.3
69.07066	13.3
69.07445	0.7
71.04992	1.8
71.08626	0.9
71.42565	0.4
73.02938	0.5
73.06546	0.4
77.03913	0.8
79.05493	29.5
81.03396	0.5
81.07056	58.5
82.07401	0.9
83.04967	2.0
83.08625	8.5
85.02917	2.0
85.06540	1.7
87.45158	0.3
88.43768	0.3
91.03947	1.2
91.05027	0.4
91.05479	16.2
93.07044	37.9
94.07382	0.5
95.04977	3.3
95.08605	51.2
97.02876	1.7
97.06519	3.5
97.10170	3.6
99.08099	1.5
105.04516	1.4
105.07030	16.1
107.08594	25.5
109.06522	1.6
109.10153	26.2
111.08089	2.1
111.11732	1.1
113.09645	0.8
115.05461	0.5
117.07024	5.4
119.07890	0.2
119.08575	15.3
121.10143	24.2
123.08044	1.2
123.11707	10.4
123.12399	0.3
125.09647	0.8
129.07043	0.8
131.08566	12.4
133.10129	15.3
135.11691	18.2
137.09636	1.0
137.13251	3.0
139.11186	0.6
141.13069	0.4
143.08578	1.7
145.10117	9.1
147.11678	11.3
149.09602	0.9
149.12094	0.7
149.13263	11.4
151.11198	0.7
151.14789	0.9
153.12766	0.7
157.10121	2.1
159.11703	9.6
161.13258	9.5
163.11186	0.6
163.14813	5.0
165.12718	0.6
169.10144	0.8
171.11694	2.4
173.13254	8.9
175.14793	3.7
177.12674	0.9
177.16287	1.8
179.14398	0.4
185.13225	2.5
187.14801	4.2
189.16383	1.3
191.14307	0.8
197.13257	0.6
199.14841	1.4
201.16394	1.7
203.17923	0.5
213.16466	0.8
213.39801	0.4
215.17958	0.9
219.17293	0.6
231.21040	1.0
233.22687	0.5
241.19633	3.4
243.21077	5.2
245.22615	0.5
257.18924	0.5
259.20563	7.7
261.22144	18.5
262.22479	0.6
263.23737	1.6
271.20685	0.5
273.22263	0.6
277.21591	0.6
279.23035	0.8
285.21988	0.6
291.23111	0.6
299.23663	1.0
305.24655	0.4
315.23090	0.9
317.24673	3.3
327.26733	0.5
333.24225	6.5
335.25790	100.0
336.25989	3.8
337.27377	10.0
353.27084	0.5
355.29993	0.5
381.31387	0.5
428.73767	0.4
451.35477	0.6
465.36975	0.5
517.38257	0.6
521.43500	2.2
595.47198	15.7
596.47546	0.9
613.48248	13.2
614.48291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05510	12.4
57.03438	8.3
57.07082	2.4
61.02929	2.3
65.03951	2.1
65.70480	0.4
67.05504	52.7
68.05823	0.5
69.03423	1.1
69.06708	0.8
69.07069	12.1
70.29586	1.1
71.04990	1.9
71.08600	0.7
73.02916	0.9
77.03944	0.4
79.05492	29.6
81.03408	0.5
81.07055	52.7
82.07378	0.6
83.04982	1.3
83.08611	6.2
85.02921	2.4
85.06532	1.1
91.03961	1.0
91.05479	18.4
93.07043	38.1
95.04967	4.5
95.08604	43.7
97.02899	1.8
97.06537	2.2
97.10169	3.1
99.08092	1.3
105.04510	1.8
105.07024	15.6
106.16980	0.5
107.08591	23.4
109.06513	1.6
109.10156	21.2
111.08068	1.5
111.11728	0.9
117.07023	5.8
119.08583	14.2
121.10146	17.6
123.08086	1.5
123.11713	7.7
125.09641	0.7
127.03947	0.4
129.07004	1.4
131.08560	9.2
132.24557	0.4
133.10126	14.1
135.08025	0.5
135.11685	15.0
137.13248	3.3
139.11166	0.6
143.08574	0.8
145.10114	8.4
147.07788	0.5
147.11685	10.6
149.09677	0.6
149.13254	9.0
151.11195	0.8
151.14857	0.6
153.12703	0.8
155.08586	0.6
157.10133	1.7
159.11687	8.0
161.13249	6.9
163.14801	5.1
165.12750	0.9
171.11696	1.8
173.13252	7.3
173.14607	0.8
175.11235	0.7
175.14816	3.7
177.12682	0.9
177.16335	1.3
179.14365	0.4
179.17873	0.5
183.11705	0.5
185.13278	2.1
187.14795	3.3
189.16388	1.2
191.14314	0.9
199.14804	2.1
199.33812	0.4
201.16365	1.2
205.15868	0.7
211.14790	0.7
213.16486	0.6
215.17957	0.6
217.19481	0.9
231.21056	1.1
233.22647	0.5
241.19662	3.2
243.21088	5.5
257.19116	0.7
259.20581	8.8
261.22137	17.4
263.20999	0.5
263.23694	1.8
277.21591	0.8
279.23264	1.0
287.23416	0.7
299.23480	0.5
309.24295	0.4
315.23129	0.7
317.24829	3.6
333.24249	5.6
335.25790	100.0
336.26099	3.6
337.27362	9.9
521.43860	2.2
539.44879	0.6
595.47150	14.5
596.47223	0.9
613.48224	13.4
614.48578	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	793.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.3
57.07072	0.8
61.02929	5.8
65.95809	0.6
66.57712	0.5
67.05506	7.2
69.03430	3.6
69.07079	3.2
69.19814	2.4
71.05035	0.9
73.02922	3.7
79.05491	4.5
80.07131	0.7
81.03416	3.4
81.07057	5.4
83.04986	1.5
83.08632	1.9
85.02905	5.2
85.32497	0.6
86.09711	2.8
91.03954	3.7
91.05479	3.6
93.07046	5.1
95.04974	1.8
95.08627	2.1
97.02882	6.2
97.06557	0.8
97.10188	1.1
99.04485	1.0
101.02382	1.8
105.07016	2.7
107.08575	2.8
108.08924	0.9
109.02882	0.8
109.06563	0.6
109.10165	2.5
110.55153	0.6
117.05447	0.7
117.06995	0.8
119.08611	1.5
121.06493	0.7
121.10159	1.3
124.99990	1.2
125.09659	1.6
127.03957	1.9
129.05534	2.0
130.29504	0.7
131.08583	1.3
133.10167	1.5
134.14594	0.5
135.11649	1.4
137.09619	0.6
145.10182	1.4
147.08151	0.6
147.11635	0.7
149.09526	0.5
149.13290	0.7
157.10083	0.7
159.11629	0.8
163.11182	0.9
181.04698	1.0
184.07338	7.1
185.04213	4.4
199.05786	0.7
201.03674	1.4
203.05281	0.8
224.10051	0.7
224.37553	0.5
229.14365	0.6
241.06842	0.9
243.08305	4.1
270.17917	0.7
301.08951	12.9
307.73331	0.6
315.10571	2.6
327.10529	0.9
331.18765	3.3
341.12146	1.5
347.14542	0.8
365.16052	0.9
369.15247	1.3
373.11105	3.9
383.16904	1.8
385.18332	6.1
387.12811	0.9
413.17880	0.7
429.17261	1.6
429.22717	2.3
431.23993	0.8
439.19571	1.5
455.19049	0.9
457.20233	1.5
467.18912	4.6
475.23248	1.6
481.20642	2.1
485.19339	0.8
497.20319	2.0
498.20688	0.7
513.25653	0.8
513.32507	0.9
539.20886	8.7
549.26685	6.3
567.24261	0.8
581.29425	4.0
582.30316	1.1
608.28302	1.6
621.28613	4.2
623.30017	5.9
635.30487	0.9
639.29797	2.0
649.31775	1.0
657.41608	0.7
665.30939	1.6
691.36938	2.5
707.32465	14.3
747.39124	1.2
775.38080	2.8
793.39758	100.0
794.40289	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	793.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58150	0.5
62.50507	0.6
63.16011	0.5
64.44068	0.6
67.05502	3.8
69.07055	0.7
79.05515	1.7
81.07066	1.8
83.08624	0.9
87.51415	0.6
91.05512	2.0
93.07048	1.9
95.08624	1.7
105.07056	0.9
107.08617	0.8
109.10162	0.8
116.73218	0.6
121.10168	0.7
131.08582	0.7
133.10162	0.9
148.09294	0.6
206.90710	0.6
226.00371	0.7
244.94540	0.6
266.78220	0.7
318.23148	0.6
336.26276	0.8
377.33008	0.6
409.80157	0.6
423.27505	0.7
549.24689	0.8
573.07031	0.7
637.33038	0.7
709.28595	0.7
748.58942	0.7
793.41437	100.0
794.41656	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	793.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
57.07087	0.3
57.70843	0.3
60.95041	0.2
61.02928	4.9
65.03976	0.3
67.05504	5.6
69.03436	2.9
69.07071	2.6
69.19624	0.6
69.20039	1.1
70.72652	0.2
71.01356	0.7
71.04996	4.0
73.02918	3.8
79.05503	3.8
81.03424	2.4
81.07063	7.2
83.05008	0.8
83.08623	1.6
85.02905	4.8
85.06573	0.5
87.04465	0.6
91.03970	2.6
91.05478	3.5
93.07056	3.6
95.05002	1.2
95.08592	1.6
97.02905	4.4
97.06565	1.0
97.10184	1.3
98.22653	0.5
99.04482	0.8
101.02367	2.1
103.03997	0.4
105.07039	2.3
107.05067	0.3
107.08588	2.2
109.02924	0.9
109.06550	0.4
109.10193	1.2
111.08147	0.5
115.03987	0.3
117.07092	0.6
119.08594	0.6
121.10191	0.6
123.11755	0.9
125.09671	0.8
127.03918	1.9
129.05513	0.4
129.07007	0.4
131.08609	1.0
133.10124	2.4
135.08023	0.3
135.11748	0.8
147.11758	0.3
149.13281	0.8
151.11214	0.9
159.11748	1.0
169.02293	0.3
170.39214	0.3
183.13855	0.9
184.07320	0.3
185.04250	0.6
187.13371	0.8
195.13960	0.3
203.05362	0.4
223.13385	0.7
243.08426	3.6
257.17560	0.8
267.15585	1.4
269.17615	0.4
288.55878	0.3
291.19708	1.2
323.18323	0.3
331.18732	1.4
338.72348	0.3
368.36243	0.3
387.21436	0.4
423.80655	0.3
441.21085	0.6
453.21097	0.7
485.23599	10.5
486.24142	0.4
549.26740	3.9
664.34235	0.3
665.34454	0.8
707.35388	0.6
747.37714	0.4
793.43445	100.0
794.43719	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	793.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15055	0.3
57.03436	2.0
59.05004	0.9
61.02928	3.8
67.05508	3.7
68.05844	0.5
69.03436	2.3
69.07062	3.1
70.69678	0.5
71.04993	1.7
73.02908	2.8
79.05500	4.4
81.03419	4.4
81.07050	5.0
82.07411	0.5
83.04980	1.0
83.08633	1.2
83.82643	0.4
85.02907	4.0
85.06583	0.6
91.03966	2.4
91.05483	4.6
93.07048	3.9
95.04942	2.0
95.08643	2.0
97.02910	3.4
97.06561	1.6
99.04461	0.7
99.08083	0.4
101.02412	1.4
105.07033	4.0
107.04944	0.9
107.08594	2.0
109.02895	0.9
109.06566	0.6
109.10188	0.8
111.08120	0.9
117.07063	1.3
119.08585	2.4
121.10143	1.9
122.35168	0.4
123.04473	0.8
127.03961	1.1
129.05515	0.5
129.07013	1.0
131.08577	1.9
133.10152	2.2
134.10492	0.4
135.11736	0.5
145.10147	1.0
147.08214	0.4
147.11742	1.6
149.09557	2.8
149.13361	0.5
157.10201	0.7
159.11765	1.2
161.13271	0.5
163.11185	0.6
175.11252	1.0
179.14337	0.7
185.04218	0.6
185.53297	0.4
193.12318	1.5
225.14973	0.5
243.08351	3.7
261.11276	0.5
261.17789	0.4
267.15997	0.7
275.20132	0.8
283.15289	2.5
315.19318	3.8
317.44702	0.4
339.17905	1.1
371.21982	1.0
429.17310	0.5
451.19720	0.5
469.20667	0.9
483.22354	0.4
501.23035	13.6
533.27203	10.0
539.21167	0.8
623.30121	0.7
631.38409	0.5
775.38989	0.5
793.43372	100.0
794.43530	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	793.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
61.02927	5.7
67.05501	6.4
69.03426	3.7
69.07056	1.7
71.04992	4.6
73.02917	4.1
79.05491	4.2
81.03413	2.1
81.07056	7.6
81.07500	0.5
82.07411	0.7
83.04987	1.1
83.08630	1.3
85.02904	5.0
85.06534	0.7
87.04452	0.5
91.03961	3.0
91.05482	6.0
92.69181	0.3
93.07053	3.7
95.04990	1.1
95.08604	2.8
97.02892	4.4
97.06553	1.0
97.10226	0.5
98.23417	1.0
99.04465	1.1
101.02359	2.0
103.03924	0.4
105.07034	3.9
106.07370	0.3
107.04931	0.5
107.08600	2.8
109.02889	1.1
109.06518	0.7
109.10143	2.1
111.04411	0.4
111.08129	0.6
117.07056	0.9
119.08611	0.8
119.58639	0.3
121.06541	0.8
121.10158	0.9
123.11700	1.2
127.03924	1.8
129.05490	0.4
129.07030	0.4
131.08589	1.2
133.10135	3.9
135.11703	0.9
145.10104	0.6
147.11707	1.0
149.09473	0.3
149.13300	0.6
151.11208	1.5
152.66931	0.3
159.11752	1.0
161.09653	0.6
175.11230	0.6
183.13821	0.8
185.04286	0.9
187.13359	0.6
193.12282	1.3
195.13858	0.7
203.05273	0.6
243.08453	2.8
257.17456	0.5
267.15717	1.8
273.18497	0.4
301.08780	0.5
313.17896	0.9
315.10428	0.5
323.18307	0.5
331.18735	3.0
335.25568	0.5
349.05518	0.3
387.21933	0.6
398.66318	0.4
451.19412	1.3
453.20883	0.7
485.23608	11.1
531.25745	2.0
549.26764	2.6
557.25574	1.7
646.79279	0.4
695.36224	1.7
724.36249	0.6
767.08282	0.4
775.42358	7.1
776.41986	0.7
793.43359	100.0
794.43530	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	794.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.0
57.03435	0.7
61.02931	1.0
63.95529	0.4
67.05507	1.2
69.03068	0.6
69.03435	7.3
69.80103	1.1
69.80459	1.1
71.01363	1.3
71.04995	27.0
79.01847	2.6
80.75193	0.4
81.03427	1.6
85.02406	0.8
85.02910	8.8
89.02403	5.7
95.04983	2.8
97.02903	5.2
98.97566	2.9
99.04464	1.2
106.02440	0.5
107.01249	0.6
109.02869	1.4
113.06007	25.4
116.22860	0.6
116.98618	1.4
125.02394	1.1
127.03931	4.7
131.07045	63.1
132.07394	0.9
143.03438	3.7
145.04971	1.9
146.99652	0.6
147.04308	0.5
153.01833	100.0
153.33090	0.5
163.03885	3.1
163.66716	0.5
170.99750	0.7
171.02919	1.6
175.04347	0.4
179.03333	0.9
187.02675	0.7
191.03445	2.2
197.04517	0.6
207.02948	0.6
207.99832	0.5
209.04495	0.9
211.02731	1.0
213.06035	0.7
219.01727	1.2
221.04839	1.5
226.98599	0.7
229.03836	1.2
233.04579	0.8
237.04041	1.5
245.05058	0.6
247.06581	1.6
277.03580	0.8
279.05005	0.9
293.12390	2.9
294.02267	0.7
297.06027	8.1
303.01199	0.7
306.72614	0.5
309.04590	1.9
312.09647	2.7
315.07141	1.0
320.74817	0.6
329.08673	1.1
331.06790	1.1
349.08261	0.7
351.05576	0.7
356.06937	0.7
381.05017	0.5
421.09787	1.4
449.07138	1.5
467.08298	8.5
477.12070	0.7
483.45789	0.6
501.09048	0.8
501.58710	1.3
643.16992	2.2
679.13507	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	795.378
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96577	0.2
68.91684	0.3
71.44742	0.3
84.86710	0.3
89.99336	0.2
98.14205	0.2
98.22958	0.3
153.01877	0.3
247.13126	1.3
261.28732	0.3
339.85580	0.3
409.18375	100.0
410.18683	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	795.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.6
57.03424	0.7
57.75206	0.3
58.59378	0.4
61.02924	1.4
67.05507	1.6
69.03422	0.8
69.07047	0.5
73.02908	1.0
79.05479	1.2
80.30960	0.3
81.03415	1.2
81.07049	1.3
85.02901	1.5
88.07657	0.4
90.13868	0.4
91.03956	1.1
91.05487	1.0
93.07043	0.7
95.04935	0.7
95.08598	0.6
97.02876	1.3
98.22691	0.8
101.02382	0.5
105.07053	0.6
107.08591	0.7
109.10239	0.4
117.07021	0.6
119.08567	0.4
121.10099	0.4
127.03909	0.5
131.00194	0.4
131.08574	0.5
133.10153	0.5
135.11679	0.4
149.02354	0.5
155.22820	0.4
184.07393	0.6
185.04167	0.7
196.09602	0.3
243.08417	1.3
249.08401	0.4
249.11003	0.4
267.09082	1.3
269.10818	0.7
285.10162	1.2
301.08829	2.0
309.10370	0.4
315.10648	0.8
333.20386	0.8
369.15341	0.4
371.16837	0.5
373.11374	0.9
373.23218	0.4
383.16833	0.5
385.18481	1.3
397.77707	0.4
429.17422	0.6
439.19388	0.7
453.21152	0.6
469.20166	0.9
477.24631	0.5
485.17670	1.3
541.22400	0.8
551.28094	1.9
615.10779	0.3
623.30316	0.5
637.32739	0.5
638.89105	0.4
667.32758	1.0
693.36200	0.6
697.34082	0.7
709.33704	0.5
749.40051	0.6
777.39093	0.7
795.39545	100.0
796.39807	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	795.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.4
57.03431	0.6
60.08157	0.3
60.22138	0.3
61.02936	1.0
67.05504	1.5
69.03427	0.7
69.07079	0.8
69.45314	1.0
69.45728	0.5
70.06609	0.6
71.05000	0.4
73.02921	1.1
78.51778	0.3
78.62568	0.3
79.05502	1.2
79.90984	0.3
81.03420	1.4
81.07059	1.4
83.05004	0.4
83.08620	0.7
85.02900	1.6
86.09716	0.8
88.07612	0.6
91.04014	0.6
91.05497	1.1
93.07056	1.0
95.04996	0.5
95.08655	0.5
97.02927	1.0
97.10175	0.4
98.23508	0.4
101.02391	0.4
102.73585	0.3
105.07066	0.7
107.08614	0.7
109.06520	0.3
119.08624	0.6
124.99986	0.4
131.00189	0.4
133.10158	0.4
135.11711	0.4
145.10138	0.5
149.02312	1.3
149.09630	0.4
174.58514	0.3
184.07314	2.5
185.04286	0.3
193.04979	0.8
198.16605	0.3
200.20070	1.5
201.20392	0.3
209.11711	0.3
243.08496	0.6
267.09125	1.1
269.10614	0.5
285.10367	0.9
287.11749	0.3
293.05423	0.3
297.00156	0.3
301.09009	1.1
315.10529	0.6
333.20612	0.6
369.15359	0.3
373.11026	0.6
385.18686	0.3
440.27103	0.3
443.18484	0.3
449.25140	0.3
453.20865	0.4
465.20752	0.3
467.18985	0.5
469.20547	1.0
485.16687	1.6
495.22058	0.5
549.26941	0.5
551.28345	1.2
567.25134	0.5
591.39929	0.3
693.34686	1.1
707.36218	0.3
709.34552	0.6
777.40515	1.1
795.39655	100.0
796.39984	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	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.05001	0.4
61.02922	4.1
67.05499	3.5
68.05853	0.3
69.03442	2.9
69.07075	1.6
71.01364	0.3
71.05001	1.5
73.02914	3.3
79.05498	3.7
81.03417	4.0
81.07050	2.9
83.04997	1.1
83.08620	1.3
85.02901	5.5
85.06576	0.4
86.09725	0.6
87.04477	0.4
91.03958	2.7
91.05485	4.3
93.07049	2.6
93.48278	0.3
95.04964	2.5
95.08623	1.5
97.02897	4.6
97.06533	2.6
99.04466	0.7
101.02414	1.3
103.03963	0.5
105.07047	1.9
107.05000	0.5
107.08611	1.3
109.02920	0.6
109.06536	0.8
109.10143	0.7
111.04543	0.3
111.08061	0.5
117.07012	0.5
119.08583	1.6
121.10139	0.6
125.00048	0.5
127.03970	0.9
129.07047	1.0
131.08589	0.8
133.10176	1.2
135.11668	0.5
137.05769	0.4
145.10132	0.4
147.11749	1.1
149.09666	0.5
157.10141	0.7
175.11140	0.8
184.07414	1.1
185.04167	0.5
185.07681	0.4
193.12302	1.2
211.13371	0.5
229.44183	0.4
243.08411	2.3
251.12650	0.9
307.15250	0.5
349.19861	6.5
405.22559	0.6
439.19653	1.0
453.21094	1.1
467.19159	0.6
469.20496	7.3
567.27765	4.8
569.29779	0.4
633.36804	0.4
667.32806	0.4
681.35321	0.5
691.33740	0.5
715.97803	0.4
795.41339	100.0
796.41626	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	795.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
61.02940	4.3
67.05511	2.9
69.03436	2.5
69.07079	1.8
69.22401	0.4
69.73497	1.6
71.04984	0.7
73.02922	3.6
78.40168	0.4
79.05510	2.1
81.03423	2.9
81.07058	2.3
83.01123	0.5
83.04960	0.8
83.08622	0.8
85.02911	5.7
87.04459	0.6
91.03960	3.7
91.05489	2.5
93.07062	2.5
95.01093	0.6
95.04992	1.5
95.08624	1.9
97.02905	4.4
97.06557	0.6
97.10191	0.7
98.22984	1.3
99.04490	1.5
101.02400	1.7
105.07048	1.6
107.04939	0.6
107.08623	2.2
109.02857	1.0
109.10178	1.0
111.08126	0.5
117.05503	0.7
117.07035	0.8
119.08604	0.8
121.10174	1.3
123.04276	0.5
127.03943	2.1
129.05550	1.2
133.10164	1.0
135.11742	1.3
145.05093	0.5
145.10123	0.6
147.11728	1.1
149.09630	0.7
149.13210	0.5
184.07492	0.6
185.04221	3.8
193.12244	1.1
199.05890	0.8
201.03789	1.9
203.05417	0.8
211.13387	0.5
221.11482	0.5
223.13332	0.7
241.06895	1.0
243.08505	4.5
251.12572	2.6
254.35764	0.6
263.12595	0.6
277.14114	0.6
285.36923	0.5
291.15652	0.7
301.08975	14.4
313.09088	0.8
315.10489	3.1
327.10602	0.5
333.20349	3.8
341.12189	1.2
349.16122	1.2
355.13831	0.8
357.15463	0.9
367.17389	0.7
369.15341	1.7
371.16852	1.3
373.10904	4.3
373.23697	1.0
383.17032	1.6
385.18356	7.8
387.12900	0.9
389.23196	1.0
398.83673	0.5
413.17993	1.8
429.17484	1.9
431.24265	2.2
433.25732	0.5
439.19424	4.6
441.21075	0.7
443.19080	2.6
451.19427	0.7
453.21249	1.3
457.20706	1.0
469.20514	10.5
470.21280	0.8
477.24881	2.1
481.20444	4.4
485.20236	1.4
499.21555	1.5
500.22586	0.8
511.21262	0.7
513.27112	0.6
515.33691	1.5
528.21948	1.3
541.22583	7.6
551.28394	5.4
561.33813	0.7
567.28143	0.7
583.28723	0.6
593.29474	0.7
610.29474	1.0
611.30750	0.6
612.31317	1.6
623.30420	4.9
625.32031	1.5
637.32373	0.7
641.31580	2.1
651.33722	1.5
665.35022	0.7
667.32855	8.0
693.38074	2.6
709.34167	13.8
735.38611	0.5
749.40906	1.7
767.07257	0.6
777.39917	3.0
795.41315	100.0
796.41699	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	795.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
57.07060	0.6
61.02929	5.1
67.05501	3.2
69.03428	3.2
69.07073	1.3
71.01352	0.6
71.04993	0.7
73.02916	3.5
79.05487	3.1
81.03436	2.5
81.07057	3.6
83.04958	1.0
83.08627	0.7
85.02917	5.4
91.03958	3.0
91.05490	1.9
93.07034	3.1
95.04993	1.2
95.08629	1.3
97.02905	4.5
97.06524	0.9
99.04479	0.8
101.02406	1.8
105.07050	0.6
107.08616	2.0
109.02900	0.9
109.10173	1.1
117.05521	0.9
119.08569	0.8
121.10161	1.2
127.03935	1.4
127.11259	0.4
129.05515	0.8
131.08620	1.1
133.10179	1.2
135.11711	2.2
145.04945	0.5
145.10124	0.8
147.11794	0.5
157.10257	0.5
161.09554	0.4
163.11189	0.5
171.10080	0.6
181.04732	0.6
185.04237	2.7
193.12317	0.9
201.03706	0.8
203.05264	0.8
221.11499	0.6
241.06804	0.8
243.08415	3.3
251.12589	1.0
255.15944	0.7
263.12592	1.0
284.43503	0.4
291.15781	0.6
301.08951	9.7
301.12253	0.6
313.08865	0.4
315.10590	2.7
327.10535	0.7
333.20328	4.2
341.12158	0.9
342.06488	0.5
343.13596	0.7
355.13974	0.6
357.15222	0.9
359.22086	0.6
369.15369	1.0
371.16867	1.2
373.11011	3.4
373.23743	1.2
383.16852	1.0
385.18381	5.1
387.12747	0.6
429.17374	2.2
431.24106	2.0
439.19421	6.8
443.18936	0.7
453.21069	1.8
457.20062	0.8
469.20490	6.9
477.24728	1.9
481.20370	2.6
485.19809	0.7
499.21582	0.8
500.22144	0.9
515.33466	1.5
533.26917	1.0
541.22565	9.7
551.28375	6.3
555.24518	0.5
561.33887	0.7
584.31689	0.8
597.28723	0.7
610.29681	0.7
618.23181	0.5
623.30212	4.8
625.31763	2.2
637.31885	1.5
641.31891	0.6
651.33752	1.5
665.34961	0.5
667.32922	14.9
667.43689	0.9
668.33124	1.3
679.34540	0.6
693.38123	3.0
694.38580	0.6
709.34021	4.2
710.33936	0.6
723.39832	0.6
733.41138	0.6
749.40540	0.9
777.40106	4.4
778.41333	1.4
795.41260	100.0
796.41699	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	795.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
60.08163	1.3
61.02923	3.8
65.03963	0.6
67.05508	6.3
69.03423	2.9
69.07053	2.8
71.01382	0.7
71.05002	0.9
71.07373	0.7
73.02928	2.1
79.05497	3.5
81.03410	5.9
81.07050	4.8
81.91360	0.5
83.01141	0.5
83.05004	1.3
83.08636	1.6
85.02895	3.6
86.09711	5.9
87.10039	0.7
89.74052	0.5
91.03973	1.7
91.05475	3.6
93.07037	5.2
95.04996	1.5
95.08636	2.2
97.02880	2.8
97.06540	0.6
97.10192	1.9
98.22685	1.1
98.98509	0.6
99.04423	0.5
101.02374	1.0
104.10777	0.5
105.07042	2.2
107.04950	0.6
107.08604	2.2
109.10168	1.5
113.55379	0.5
117.07022	1.2
119.08567	2.8
121.06506	0.7
121.10120	1.1
124.99998	3.9
125.09667	1.7
127.03877	0.8
129.05513	0.7
129.07056	0.6
131.08578	0.8
133.10179	1.1
135.08125	0.8
135.11758	0.7
137.09622	1.5
139.03737	0.5
145.10152	0.9
145.57124	0.5
147.11659	0.7
149.09662	0.6
149.13231	0.6
163.11243	0.6
165.09106	0.5
182.30254	0.6
184.03596	0.8
184.07336	16.6
185.04224	3.2
185.07692	2.6
189.11240	0.8
193.12285	0.5
201.03680	1.1
203.05299	0.6
209.11874	0.6
217.12109	0.5
219.13744	0.6
229.14418	0.8
239.12796	2.0
240.13292	0.7
241.06996	0.8
243.08430	2.7
263.12738	0.6
301.08923	8.2
315.10632	1.7
333.20294	5.2
341.12131	0.7
343.13953	0.6
357.15363	0.9
373.10953	2.4
373.23520	0.8
383.16891	1.0
385.18292	4.9
401.14636	0.6
413.17688	0.9
415.15692	0.7
429.17462	2.2
431.23920	2.9
441.17493	0.8
443.19141	1.1
449.25476	0.8
453.20804	0.8
457.20667	0.6
469.20428	1.5
477.24713	1.5
481.20517	1.2
485.19858	0.8
487.21640	0.7
499.21970	0.9
513.26746	1.1
514.32587	1.1
515.33545	1.5
541.22510	2.6
549.26910	1.2
551.28271	7.5
610.29431	0.7
623.30475	3.5
625.32153	2.5
637.32159	1.0
651.33899	1.9
693.38257	2.0
697.33197	1.1
709.33801	0.7
727.43542	0.7
735.38873	0.7
745.44336	1.1
749.40686	1.0
777.40546	1.8
795.40918	100.0
796.41217	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	795.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
60.08163	1.3
61.02923	3.8
65.03963	0.6
67.05508	6.3
69.03423	2.9
69.07053	2.8
71.01382	0.7
71.05002	0.9
71.07373	0.7
73.02928	2.1
79.05497	3.5
81.03410	5.9
81.07050	4.8
81.91360	0.5
83.01141	0.5
83.05004	1.3
83.08636	1.6
85.02895	3.6
86.09711	5.9
87.10039	0.7
89.74052	0.5
91.03973	1.7
91.05475	3.6
93.07037	5.2
95.04996	1.5
95.08636	2.2
97.02880	2.8
97.06540	0.6
97.10192	1.9
98.22685	1.1
98.98509	0.6
99.04423	0.5
101.02374	1.0
104.10777	0.5
105.07042	2.2
107.04950	0.6
107.08604	2.2
109.10168	1.5
113.55379	0.5
117.07022	1.2
119.08567	2.8
121.06506	0.7
121.10120	1.1
124.99998	3.9
125.09667	1.7
127.03877	0.8
129.05513	0.7
129.07056	0.6
131.08578	0.8
133.10179	1.1
135.08125	0.8
135.11758	0.7
137.09622	1.5
139.03737	0.5
145.10152	0.9
145.57124	0.5
147.11659	0.7
149.09662	0.6
149.13231	0.6
163.11243	0.6
165.09106	0.5
182.30254	0.6
184.03596	0.8
184.07336	16.6
185.04224	3.2
185.07692	2.6
189.11240	0.8
193.12285	0.5
201.03680	1.1
203.05299	0.6
209.11874	0.6
217.12109	0.5
219.13744	0.6
229.14418	0.8
239.12796	2.0
240.13292	0.7
241.06996	0.8
243.08430	2.7
263.12738	0.6
301.08923	8.2
315.10632	1.7
333.20294	5.2
341.12131	0.7
343.13953	0.6
357.15363	0.9
373.10953	2.4
373.23520	0.8
383.16891	1.0
385.18292	4.9
401.14636	0.6
413.17688	0.9
415.15692	0.7
429.17462	2.2
431.23920	2.9
441.17493	0.8
443.19141	1.1
449.25476	0.8
453.20804	0.8
457.20667	0.6
469.20428	1.5
477.24713	1.5
481.20517	1.2
485.19858	0.8
487.21640	0.7
499.21970	0.9
513.26746	1.1
514.32587	1.1
515.33545	1.5
541.22510	2.6
549.26910	1.2
551.28271	7.5
610.29431	0.7
623.30475	3.5
625.32153	2.5
637.32159	1.0
651.33899	1.9
693.38257	2.0
697.33197	1.1
709.33801	0.7
727.43542	0.7
735.38873	0.7
745.44336	1.1
749.40686	1.0
777.40546	1.8
795.40918	100.0
796.41217	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	795.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.9
69.09088	0.5
69.09486	1.9
74.78596	0.3
79.05481	0.3
81.07062	0.6
85.02926	0.3
86.09682	0.5
87.04455	0.6
91.03970	0.4
93.07072	0.5
95.08605	0.7
97.02881	0.4
98.98473	0.3
109.10149	0.8
125.00010	0.6
138.61589	0.3
184.07355	2.6
230.47247	0.3
243.08231	0.4
517.20703	0.5
519.29535	0.9
535.27081	0.8
605.39282	0.4
691.40271	10.5
692.40375	0.4
703.13843	0.4
795.42834	100.0
796.43219	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	795.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.5
57.07096	1.3
58.44293	1.0
61.02930	10.9
67.05509	11.3
69.03434	6.1
69.07088	4.1
69.63963	2.0
69.64331	3.8
71.01359	1.2
71.05013	4.2
73.02911	8.3
79.05499	7.7
81.03437	3.7
81.07069	11.2
83.04987	2.0
83.08648	4.3
85.02918	12.5
85.06555	1.6
91.03954	8.4
91.05490	6.7
93.07067	9.0
95.05004	2.1
95.08614	5.0
97.02901	10.5
97.06549	1.5
99.04498	1.7
101.02409	3.3
105.07047	4.9
107.08622	4.4
109.02889	1.6
109.10186	3.7
111.08106	1.2
115.05444	0.9
117.07076	1.5
118.59818	1.1
119.08615	2.3
121.10188	1.9
125.00021	1.1
127.03974	3.6
129.05515	2.1
129.71388	0.9
131.08578	1.8
133.10194	3.5
135.11745	1.5
147.11745	3.8
149.13336	2.8
151.11259	1.7
159.11748	1.4
161.13359	1.0
171.11761	1.3
184.07472	3.0
185.04289	4.1
203.05298	1.3
241.18184	1.4
243.08388	7.0
247.13177	2.2
257.17682	1.4
267.15823	1.8
301.08890	5.8
303.15854	1.5
366.07922	1.2
371.16916	2.3
373.11218	3.6
385.18314	1.9
413.17795	6.5
425.21695	4.3
441.21201	4.2
453.20999	5.9
457.24335	3.5
465.21069	16.0
469.20178	1.9
485.23526	11.7
501.23233	3.2
501.31577	1.3
524.22333	1.4
529.26282	2.1
533.27246	2.5
537.23102	3.1
599.34442	2.3
607.34399	3.3
621.35406	3.4
622.28046	2.7
625.31982	49.1
626.32928	2.5
637.35730	11.0
649.35699	15.5
650.35992	1.8
651.38025	4.8
653.35388	1.4
665.35046	21.7
680.37720	4.8
681.35547	1.3
695.36304	2.5
697.38361	2.0
709.37927	27.9
749.44501	100.0
750.45276	2.8
777.43488	7.8
793.43848	5.7
795.44440	78.5
796.44763	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	795.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
61.02926	3.8
63.84724	0.4
67.05507	4.1
69.03424	3.3
69.07072	1.5
71.04999	2.7
73.02922	3.1
79.05492	3.5
81.03416	2.3
81.07057	5.8
83.04985	1.0
83.08614	0.5
85.02906	4.6
85.06547	0.5
91.03967	2.7
91.05489	3.1
93.07040	3.8
95.05021	1.0
95.08627	1.8
97.02888	3.6
97.06553	0.8
99.04470	0.7
99.08117	0.5
101.02371	2.1
105.07046	2.0
107.05070	0.4
107.08630	1.9
109.02887	0.7
109.06535	0.5
109.10188	1.1
111.08102	0.4
115.04008	0.5
117.07032	0.7
119.08617	1.5
121.10174	1.0
123.11740	0.5
127.03932	1.1
129.07082	0.5
131.08594	0.7
133.10146	2.6
135.11723	1.1
149.13284	0.8
151.11217	0.8
159.11745	0.6
177.12781	0.5
185.04300	0.8
243.08470	3.4
257.17636	0.9
267.15860	1.5
301.09119	1.6
315.10666	0.8
333.20197	2.0
355.13498	0.5
373.11252	1.0
383.16971	0.6
385.18463	1.2
389.23361	0.6
439.19772	0.7
441.21329	0.6
453.21353	1.4
465.21432	1.3
469.20624	0.6
481.20267	0.7
485.23676	7.9
495.22092	1.0
501.23788	0.7
502.23462	1.1
503.23892	1.4
533.27777	0.5
534.27466	0.5
535.28461	0.8
537.23376	0.5
541.22504	0.9
551.28448	4.7
553.79834	0.5
611.29285	0.5
625.31970	0.7
709.33960	13.9
710.34424	0.5
777.40179	1.1
795.44843	100.0
796.45215	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	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
61.02929	4.7
64.73941	0.4
67.05505	3.5
69.03429	2.7
69.07079	1.5
71.01331	0.5
71.05013	1.8
71.21214	0.5
73.02927	3.2
79.05494	4.6
81.03420	3.4
81.07056	4.4
83.01362	0.4
83.04988	1.0
83.08620	1.3
85.02898	4.4
87.04469	0.7
91.03975	3.1
91.05474	4.1
93.07047	4.5
93.07535	0.5
95.05000	1.3
95.08632	2.2
97.02899	4.3
99.04494	1.0
101.02409	1.7
105.07029	2.7
107.08585	2.2
109.02859	0.7
109.06546	0.5
112.03938	0.4
117.07023	0.6
119.08574	2.1
121.10152	2.4
122.06741	0.4
123.11732	0.4
127.03969	1.5
127.37009	0.4
129.07042	1.1
129.90034	0.4
131.08612	1.8
133.10103	2.1
135.11723	0.7
145.10159	0.8
147.11745	1.7
149.09669	1.5
149.13266	0.4
157.10188	1.0
159.11761	0.7
175.11264	0.8
184.07410	0.9
185.04184	0.7
193.12355	1.3
201.03745	0.6
203.05443	0.6
243.08386	4.4
267.15985	0.7
283.15164	4.0
301.09067	2.2
315.10654	0.6
323.18512	0.6
339.18103	1.3
373.23215	0.5
441.21146	0.6
465.21164	0.5
469.20544	0.8
485.23779	1.2
501.23050	12.9
502.23932	0.5
529.22748	0.9
535.28851	4.9
551.28326	0.9
573.25433	1.8
643.32294	0.4
697.38202	0.4
709.31793	5.7
733.74207	0.5
795.45074	100.0
796.45563	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	795.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.7
59.04971	0.6
61.02932	3.7
67.05506	9.2
69.03430	3.2
69.07044	0.5
71.01343	0.4
71.04973	0.7
73.02919	3.5
79.05494	3.2
81.03419	0.9
81.07066	4.2
81.64294	0.4
83.04926	0.5
83.08559	0.5
85.02917	5.1
86.09682	0.6
87.04444	0.7
91.03962	4.0
91.05482	2.3
93.07056	2.6
95.08604	3.3
97.02905	4.2
97.10107	0.5
98.22699	1.0
99.04419	0.9
101.02385	2.3
101.02921	0.4
103.73957	0.5
107.08574	1.1
107.87994	0.4
109.02840	0.9
109.10172	8.0
115.03900	0.4
117.07000	0.7
119.08537	1.2
121.10114	1.3
127.03896	1.7
131.08563	0.6
133.10139	0.5
135.11670	0.8
145.04926	0.8
145.10103	0.5
147.11711	0.5
155.10672	0.8
173.11751	2.5
184.07327	1.7
185.04193	1.4
195.09953	1.0
203.05133	0.5
217.78032	0.4
218.45032	0.5
228.74435	0.4
229.14362	1.1
243.08427	2.8
335.25906	0.6
413.17828	14.2
517.22522	0.7
519.29395	5.4
623.48132	0.5
691.40308	100.0
692.40649	5.1
749.44641	1.4
777.44446	1.1
795.44690	21.1
796.45123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.7
57.03428	2.1
59.05004	1.0
61.02927	4.1
65.63621	0.5
65.70939	0.5
67.05502	6.7
69.03429	2.4
69.07086	0.9
69.98331	1.8
70.06590	0.7
71.04987	2.0
71.08622	2.3
73.02909	3.1
79.05477	3.4
81.03405	4.2
81.07044	6.1
83.04980	1.2
83.08599	0.8
85.02908	4.5
87.04453	0.8
91.03965	2.5
91.05467	4.6
92.47256	0.6
93.07030	4.9
95.04963	1.7
95.08617	2.6
97.02889	4.3
97.06496	0.8
99.08115	1.4
101.02386	1.7
105.07017	2.8
107.04937	0.8
107.08604	3.2
109.02886	1.1
109.10127	1.3
111.08109	0.8
117.07024	0.7
119.08577	1.7
121.10153	2.6
127.03907	1.5
133.10153	1.9
135.11678	1.1
145.04974	0.6
147.11684	1.8
149.09616	1.1
151.11148	1.1
157.10039	1.0
159.17564	0.5
175.11143	0.8
179.14326	2.2
184.07336	0.9
193.12195	1.2
211.13127	0.6
217.84796	0.8
241.07253	0.6
243.08385	3.3
272.38950	0.6
283.15222	3.8
293.05133	0.6
317.20786	2.5
339.18121	0.9
349.16653	0.6
373.23257	0.9
441.20642	0.9
453.20959	0.9
469.18951	0.6
485.17014	1.1
485.23318	0.9
500.20349	0.8
501.23111	12.9
535.28668	10.9
565.22388	0.7
612.28455	1.0
625.31952	4.5
653.64508	0.8
667.19983	0.8
667.30908	7.7
691.35962	0.8
709.31647	12.7
749.38727	0.8
777.38055	1.0
795.45172	100.0
796.45715	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	795.45
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.1
57.03612	0.5
61.02780	3.6
61.03135	2.0
67.05347	4.9
67.05753	2.1
67.80439	0.2
69.03265	1.9
69.03687	0.7
69.06923	0.7
69.07266	0.5
71.01208	0.5
71.04874	0.5
71.05222	0.3
73.02753	2.6
73.03214	0.9
75.25037	0.2
79.05322	1.9
79.05823	0.6
81.03242	1.0
81.06878	2.6
81.07414	0.7
81.46836	0.2
83.04810	0.2
83.08498	0.4
85.02728	4.4
85.03294	0.8
85.03620	0.4
85.06419	0.3
87.04319	0.5
87.04804	0.3
91.03767	2.2
91.04398	0.6
91.05298	1.1
93.06846	2.0
95.04823	0.5
95.08413	2.6
95.09068	0.3
97.02695	3.4
97.03385	0.6
99.04287	0.5
101.02172	1.3
105.06824	0.9
107.08382	1.3
109.02654	0.7
109.09944	4.0
109.10764	0.6
115.03764	0.5
119.08358	0.8
121.09910	0.8
127.03678	1.6
131.08363	0.6
133.09966	0.5
135.11458	0.7
137.09358	0.3
145.04768	0.4
145.09979	0.4
147.11555	0.4
149.13133	0.3
155.10493	0.4
159.11519	0.3
159.37971	0.3
173.11739	1.3
184.07118	0.4
185.04001	0.6
195.09648	0.9
201.03595	0.2
203.05077	0.4
229.14023	0.8
243.08350	1.6
335.25549	0.9
413.12619	0.4
413.17801	6.7
436.17432	0.2
436.30939	0.3
519.29309	7.8
520.29346	0.4
691.40210	100.0
692.40540	5.6
749.44391	0.9
777.44208	1.0
795.44611	14.5
796.45221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23453	2.9
57.03437	18.2
57.91709	2.6
61.02921	5.7
67.05159	5.9
67.05503	81.0
69.03428	6.3
69.07067	29.2
69.10584	15.1
69.10993	6.0
70.13025	2.8
71.04997	6.2
79.05496	86.1
81.03403	16.8
81.07056	89.2
83.04971	9.8
83.08623	12.6
85.02901	9.0
85.06545	7.5
90.74915	3.1
91.05480	51.8
93.06453	5.1
93.07040	95.6
95.04964	17.0
95.08601	51.2
97.02880	6.9
97.06528	12.0
97.10162	6.0
99.08096	5.3
105.04525	5.7
105.07030	40.1
107.04977	7.0
107.08599	39.2
109.06535	7.1
109.10165	14.6
111.08086	8.3
117.07005	19.6
119.08582	27.5
121.06550	5.1
121.10143	44.1
123.04489	3.1
123.08111	4.9
123.11719	8.7
125.09634	4.3
129.05502	2.9
129.07021	5.7
131.08548	22.9
133.10121	32.5
135.08055	4.4
135.11687	21.4
137.09607	4.9
143.08549	7.3
145.10138	20.1
147.11668	16.2
149.09622	8.8
149.13237	16.8
157.10143	4.2
159.11662	17.4
161.13263	3.9
163.11220	6.5
169.10168	4.8
171.11664	4.2
173.04428	4.8
173.13280	6.5
177.12770	7.8
184.07314	5.0
185.13261	4.0
187.14822	3.6
197.13319	3.5
199.14804	3.7
215.17897	17.2
233.18980	11.3
255.15932	12.4
257.19162	3.4
261.74039	2.9
269.17447	26.6
275.19980	18.0
281.38138	3.6
307.22665	100.0
349.23752	17.5
443.05292	3.3
487.34033	20.3
501.35760	61.6
509.55844	3.6
581.41724	24.1
599.43256	6.8
645.39185	3.1
796.43750	4.0
797.44031	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	796.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81583	2.5
57.03444	13.2
57.07079	3.9
60.57571	2.4
61.02934	4.1
65.07520	2.5
67.05506	83.1
67.05869	4.6
69.03436	7.5
69.07069	26.5
69.45653	11.3
70.53945	2.5
71.05017	6.4
79.05499	75.7
81.03430	10.5
81.07057	85.6
83.05005	10.4
83.08626	18.9
85.02874	4.1
85.06554	5.4
91.05490	52.3
93.07046	87.5
93.07600	5.9
95.04975	16.4
95.08602	50.2
97.02905	3.6
97.06547	12.6
99.08102	5.5
104.52943	2.8
105.07047	30.7
107.04975	5.2
107.08606	33.7
109.06509	3.7
109.10172	13.3
111.08121	4.8
111.86324	2.5
117.07038	20.8
119.08586	26.9
121.06530	3.4
121.10143	35.7
123.11710	5.8
125.09589	3.3
129.07040	3.1
129.09547	2.6
131.08562	18.7
133.10127	25.4
135.07997	3.2
135.11723	20.2
143.08607	4.2
145.10158	17.6
147.11693	8.8
149.09610	7.0
149.13298	18.4
151.11223	5.2
155.08580	3.8
157.10130	6.1
159.11723	19.8
161.13300	4.5
163.11269	4.4
173.13330	7.5
175.82097	3.0
177.12738	5.6
179.75592	3.0
183.11795	3.6
184.07426	7.0
185.13393	3.9
187.14856	4.8
195.13802	6.5
215.17999	13.6
229.15921	5.7
233.19098	10.8
247.17049	4.9
250.88374	3.3
255.15884	8.9
257.19107	3.9
269.17496	30.2
275.20135	13.6
307.22690	100.0
308.22958	3.4
321.20813	3.5
330.91592	2.6
335.13950	2.9
335.25824	8.8
349.23700	15.2
367.25018	3.7
450.95505	2.9
487.34109	25.8
501.35760	88.1
581.41687	19.2
599.42920	8.8
635.20898	3.2
645.40167	3.7
693.41772	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.43
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
61.02929	3.8
67.05502	4.8
69.03432	2.7
69.07070	2.1
71.05004	0.9
73.02924	1.9
79.05498	4.4
81.03411	3.9
81.07072	5.5
82.21595	0.9
83.08636	1.5
85.02897	5.3
91.03960	1.5
91.05499	3.6
93.07073	3.3
95.04993	1.7
95.08636	3.1
97.02895	3.8
101.02410	1.8
105.07056	1.9
107.04974	0.8
107.08628	2.3
109.06506	0.8
111.08079	0.9
119.08636	1.6
121.10184	2.9
127.03902	1.0
131.08670	0.9
133.10165	1.8
139.11215	1.3
149.09683	1.5
184.07324	1.4
208.33719	0.9
243.08528	3.5
251.12840	1.3
269.13641	1.0
272.44022	0.9
307.84537	0.8
333.20493	1.9
390.18094	0.9
415.34796	1.0
425.18130	0.9
443.18784	5.2
453.20987	1.8
456.58917	1.0
469.20511	2.8
487.21609	7.2
551.28271	6.5
564.84827	1.2
753.40027	1.1
779.41614	1.7
797.42847	100.0
798.43286	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	797.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.68980	0.4
61.02929	3.5
67.05500	3.4
69.03423	3.0
69.07063	2.1
71.04986	0.6
73.02924	3.2
74.12365	0.3
79.05506	2.6
81.03412	2.8
81.07057	4.0
82.10897	0.3
83.04994	0.8
83.08616	1.5
85.02904	4.2
91.03940	2.4
91.05467	2.2
93.07035	2.6
95.04991	1.4
95.08614	1.3
97.02899	3.3
97.06522	0.4
97.10163	0.9
98.23510	0.8
99.04441	0.5
101.02387	1.2
105.07043	1.7
107.04992	0.6
107.08603	1.4
109.02879	0.8
109.10148	0.6
111.04430	0.4
111.08083	0.6
119.08578	1.1
121.10184	0.6
122.10455	0.3
125.09649	1.0
127.03946	0.9
129.07014	0.6
131.08575	0.9
133.10149	1.2
135.07968	0.5
147.11734	0.8
149.13319	0.5
157.10197	0.7
178.13156	0.4
193.12286	1.2
211.13368	0.5
243.08392	2.5
251.12701	1.0
285.16962	0.4
337.07281	0.4
347.28073	0.4
351.21356	1.6
381.71292	0.4
407.24072	0.6
425.43954	0.4
469.20444	7.5
471.21896	0.5
485.16693	0.5
569.29266	6.4
769.18353	0.4
782.75897	0.4
797.42871	100.0
798.43268	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	800.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.4
57.03436	3.7
61.02929	3.7
66.60395	1.2
67.05511	3.4
68.64599	1.1
69.03444	12.0
71.01353	2.2
71.05003	36.1
73.02927	2.3
77.80094	1.4
80.65598	1.3
81.03418	5.3
85.02916	26.2
87.04491	2.3
89.02413	8.7
95.05006	3.2
97.02906	8.5
98.22778	4.7
98.23454	2.4
98.70779	1.4
98.97592	14.8
107.04903	1.9
109.02913	2.7
113.06023	32.5
116.98639	4.2
117.03407	3.5
117.57835	1.2
119.04949	2.4
127.03927	6.2
128.98596	2.2
131.04962	3.9
131.07057	96.2
133.02873	5.4
134.98724	1.4
135.04433	4.6
143.00182	2.0
145.02832	3.8
145.04958	4.5
146.99713	1.9
147.04422	4.2
150.03120	4.2
151.03963	1.9
153.01837	14.9
153.05479	2.8
154.02193	1.5
155.99162	1.8
158.99623	1.4
159.04436	9.9
161.01250	1.5
163.03928	34.3
164.04262	1.6
164.99677	2.1
165.05548	3.0
166.00497	1.4
166.02690	2.6
174.00229	3.7
175.03957	6.6
176.04631	1.4
177.01880	13.7
177.05515	9.0
178.02640	1.8
179.03369	6.1
180.00420	1.2
181.04987	22.4
183.00668	1.4
186.00281	2.0
187.04062	6.2
189.05533	2.8
190.02585	1.5
191.03410	21.5
191.07062	2.6
191.96718	1.2
193.04988	8.7
194.02116	2.5
195.01070	2.0
195.02945	9.4
197.04451	13.6
204.04259	2.4
205.05017	21.3
207.02885	2.7
207.06580	2.3
209.04474	33.2
211.02638	5.3
215.03458	5.4
217.05069	2.8
219.03149	2.7
219.06519	9.0
221.02330	3.9
221.04498	12.2
223.02470	3.1
223.06032	2.7
225.04021	3.0
226.98779	2.1
229.03896	1.8
229.04814	1.4
232.03723	2.1
233.04485	24.7
235.06149	2.1
237.03021	2.0
244.99712	1.6
245.04578	4.1
247.06114	19.3
251.05556	32.7
257.04529	2.1
263.05560	28.0
264.02325	1.8
272.03766	1.7
273.02893	1.9
275.05548	20.8
281.03940	2.5
281.06845	8.1
293.06631	30.5
293.11938	7.1
302.03922	1.6
311.04370	3.9
311.07620	28.1
312.09656	4.7
312.59830	1.8
313.02536	1.6
315.07022	2.6
315.10385	2.5
320.01392	1.6
325.02261	3.9
329.08704	100.0
331.07260	2.3
343.08493	2.0
346.99857	2.0
361.07135	2.1
362.05899	13.5
362.56268	2.7
371.06650	12.6
371.56674	3.3
380.07230	1.9
389.00598	2.0
392.07199	10.4
392.57062	2.6
394.99243	2.2
403.06287	1.4
407.07599	3.8
407.58148	1.3
418.08652	2.8
422.08243	3.6
426.06906	1.6
427.04904	1.3
452.09247	2.4
458.15100	1.3
485.56580	1.5
491.13983	6.7
494.95999	1.5
507.58987	5.4
508.11893	12.2
508.61484	2.6
529.08612	3.9
530.08606	1.8
537.05420	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	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
61.02923	4.4
63.03765	0.7
64.44598	0.6
67.05511	3.4
69.03432	11.6
69.07066	1.3
69.67316	1.2
69.67692	1.1
71.04988	0.9
71.84206	0.6
73.02910	3.4
79.05478	5.5
81.03439	1.1
81.07071	3.0
83.05039	0.7
83.08613	0.7
85.02892	3.7
85.06552	0.6
85.36655	0.7
87.04506	0.7
91.03975	2.6
91.05490	5.9
93.07041	4.2
95.04972	1.1
95.08603	3.2
96.39908	0.7
97.02893	4.3
98.23403	1.0
101.02404	1.8
105.07008	5.6
107.08613	2.9
109.02902	0.8
109.06573	0.9
109.10164	0.8
115.50197	0.8
119.08592	3.6
121.10175	0.9
127.03896	0.8
129.05510	1.1
129.07040	0.7
131.08591	1.0
133.10164	2.9
145.10161	1.0
147.11717	1.1
155.07098	1.9
157.10201	0.8
159.11740	0.7
171.11743	1.4
184.07243	0.7
185.04312	0.8
203.05415	0.6
243.08467	4.0
267.09128	0.9
285.10309	1.0
313.08804	1.1
315.10809	1.5
355.13721	0.9
369.15469	0.7
437.17953	1.6
497.20105	1.1
507.25641	9.6
535.28821	5.4
579.27704	1.2
607.30963	1.7
801.47571	100.0
802.48004	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	801.476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
61.02932	7.4
67.05505	6.5
69.03439	4.3
69.07072	1.3
69.08826	5.8
73.02905	4.4
79.05477	5.9
81.03432	2.4
81.07050	6.6
83.05014	0.9
85.02902	7.1
86.42860	1.1
91.03964	4.2
91.05496	3.2
93.07051	5.8
95.04971	1.8
95.08626	3.7
97.02886	5.2
99.04424	0.8
101.02396	2.2
105.07069	1.7
106.00097	0.8
107.08618	1.8
109.02886	1.0
109.10177	2.1
117.07030	1.0
119.08633	1.4
121.10158	2.7
121.78416	0.8
123.11726	1.1
127.03893	1.5
131.08594	1.4
135.11774	1.3
136.90594	1.1
142.97278	1.1
145.10194	1.0
160.75826	0.8
184.07382	1.1
185.04298	1.3
191.32358	0.8
206.44777	0.9
243.08443	2.0
255.62540	0.9
288.76385	0.8
305.81644	0.9
307.22745	1.1
313.27747	0.9
333.20593	2.7
453.21304	1.0
491.26138	8.4
551.28455	2.9
563.31836	0.9
801.47546	100.0
802.48016	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	801.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
57.07077	0.8
61.02932	7.2
67.05506	6.8
69.03429	3.1
69.07091	1.5
69.36066	2.7
69.86684	0.5
71.04994	0.7
73.02929	4.6
79.05492	4.6
81.03430	1.9
81.07059	5.9
83.04968	0.6
85.02905	7.9
91.03967	3.1
91.05495	3.4
93.07057	6.6
95.08604	3.7
97.02889	5.2
98.23441	1.4
99.04494	1.0
101.02393	1.8
105.04488	0.6
105.07062	1.9
107.08631	1.6
109.02892	1.3
109.10182	1.6
117.07000	0.6
119.08611	1.6
121.10164	2.7
122.99620	0.7
127.03938	1.6
131.08578	1.0
133.10191	0.9
135.11708	1.1
145.10136	1.0
147.11696	0.7
243.08263	2.9
254.29451	0.7
333.20483	2.3
453.20959	0.9
491.26184	7.8
503.43292	0.6
519.29132	1.0
551.28375	2.7
634.28284	0.7
801.47559	100.0
802.47913	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	802.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.2
58.75657	0.2
68.95495	0.2
69.03434	1.9
70.85230	0.2
71.01342	0.4
73.02893	0.4
78.27769	0.2
81.03413	2.0
85.02911	1.5
87.48271	0.2
91.05460	0.2
97.02862	0.6
99.04463	1.1
101.02358	0.2
103.05446	0.6
109.02873	1.5
127.03928	1.6
131.04893	0.4
145.04951	0.2
147.04454	0.8
157.02852	0.9
159.04410	0.3
161.23080	0.2
163.03874	0.2
173.02374	0.4
175.03889	1.6
185.02339	0.9
187.03902	3.7
189.21977	0.2
191.03450	0.4
199.57617	0.2
201.01828	0.9
203.03400	2.7
213.01830	3.1
215.03383	3.3
219.02954	0.4
229.01315	1.3
231.02875	16.4
232.03146	0.2
241.01318	3.0
247.02348	2.5
257.00818	1.3
259.02377	28.4
260.02850	0.6
261.03876	0.2
269.04480	0.2
275.01840	3.1
276.02600	1.4
277.03418	100.0
278.03735	2.0
285.00369	1.3
285.02933	0.2
289.03433	0.7
293.04413	0.2
299.02237	0.2
303.01340	35.4
304.01685	0.7
315.01462	1.1
315.04593	0.2
321.02365	2.1
328.99213	0.5
341.02774	0.3
343.04330	0.3
345.02414	0.4
348.44250	0.2
355.04166	0.2
357.05917	0.3
363.03366	0.4
367.04276	0.5
383.03790	0.3
385.05322	0.6
387.03427	1.0
405.04163	0.2
411.03223	0.6
429.04395	0.8
447.05814	1.2
465.06595	3.2
483.07581	0.3
767.07141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50932	0.1
57.03409	0.3
69.03430	2.8
69.57310	0.6
70.05192	0.2
70.41390	0.2
71.01334	0.3
71.04979	0.5
73.02903	0.4
75.82111	0.2
80.53995	0.2
81.03420	3.0
84.31770	0.2
85.02906	1.3
91.05458	0.3
97.02882	0.4
99.04444	1.2
101.02396	0.2
103.05433	0.6
109.02874	2.1
119.04935	0.3
127.03915	2.1
131.04921	0.7
135.06847	0.2
145.02870	0.2
145.04941	0.6
147.04395	0.8
157.02847	1.1
159.04433	0.3
163.03920	0.6
173.02364	0.6
175.03893	1.9
185.02303	1.3
187.03908	4.8
191.03403	0.5
201.01883	1.1
203.03404	3.2
203.73038	0.2
207.02968	0.2
213.01840	4.1
215.03387	4.4
216.03999	0.2
219.02872	0.5
224.72269	0.2
229.01303	1.7
231.02887	19.7
241.01295	3.5
247.02394	2.2
253.05199	0.2
257.00836	2.4
259.02380	30.4
260.02768	0.7
275.01862	3.7
276.02597	1.8
277.03427	100.0
278.03754	1.9
285.00439	1.4
289.03296	0.4
297.03821	0.3
303.01349	37.7
304.01801	0.6
313.03485	0.4
315.01337	0.8
321.02390	2.5
327.04422	0.2
328.99277	0.5
341.03009	0.5
355.04608	0.3
357.06042	0.2
359.04004	0.3
363.03448	0.6
367.04391	0.3
385.05515	0.4
387.03430	1.1
411.03384	0.5
429.04489	0.7
447.05298	1.1
465.06732	2.8
483.07828	0.6
599.49719	0.2
660.91028	0.2
785.08246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22765	0.1
69.03430	0.2
69.46691	0.3
76.48949	0.1
79.01859	5.9
81.03406	0.1
91.73195	0.1
97.02887	1.2
107.01326	1.4
117.14282	0.1
123.00824	0.2
125.02371	2.7
131.10469	0.1
143.03407	6.6
152.01118	0.1
153.01837	100.0
153.02899	5.9
154.02187	0.8
163.03877	0.2
181.04930	0.2
189.43687	0.1
191.03423	0.5
195.02925	0.5
204.04160	0.2
205.05035	0.2
207.06653	0.2
209.04510	0.3
213.03899	0.3
219.06523	0.2
233.04361	0.2
239.34384	0.1
247.06001	0.6
251.05539	1.7
255.05000	0.4
260.03214	0.2
263.05716	0.2
275.05499	2.0
277.03494	0.4
293.03549	0.2
293.06552	1.7
301.06970	0.2
305.02893	1.0
333.06012	0.1
346.44934	0.1
403.06619	1.1
407.06113	0.2
416.29651	0.1
445.07785	0.6
463.08789	0.6
481.09970	0.2
552.80847	0.1
615.09753	1.0
633.10687	0.3
633.44745	0.1
828.10242	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	804.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.0
58.28742	1.0
65.03944	4.2
67.05512	62.3
69.03445	6.0
69.07077	15.6
71.04996	7.1
77.03921	2.1
77.34731	1.1
79.05039	2.0
79.05502	39.5
81.03426	76.4
81.07064	56.8
83.04988	12.7
83.08630	17.9
83.42540	1.0
85.02911	1.8
85.06554	5.2
87.04517	1.0
91.05492	57.4
93.07054	37.5
95.04411	1.9
95.04982	27.5
95.08620	19.9
97.02920	3.3
97.06540	6.0
97.10177	4.8
98.05806	0.9
98.22624	2.3
99.04469	2.7
99.08081	1.7
103.05473	1.8
105.04541	2.0
105.07044	45.1
107.04977	10.6
107.08603	35.1
107.09348	1.5
109.02896	1.5
109.06538	10.8
109.10172	48.2
111.04467	2.6
111.08113	7.7
113.06054	2.1
115.05498	1.6
115.07582	1.2
117.07035	7.6
119.04991	1.3
119.08590	21.7
121.06532	9.4
121.10166	12.3
123.04443	2.5
123.08104	6.3
123.11723	9.7
125.05984	1.4
125.09632	3.2
127.07591	2.2
128.06236	2.4
128.53685	1.2
129.07010	12.0
131.08578	15.3
132.03500	1.1
133.06506	6.8
133.10144	67.7
134.10471	1.6
135.08058	7.9
135.11691	4.8
137.09634	3.4
139.07521	1.0
142.07806	3.2
143.08559	5.2
145.06514	1.6
145.10143	7.3
147.08081	6.1
147.11739	8.1
149.09636	10.4
149.13333	1.4
151.11194	27.6
157.10173	10.2
159.08084	2.0
159.11719	3.0
161.09616	6.9
161.13231	1.4
163.11232	4.6
165.12796	1.3
169.10178	1.7
169.12282	4.7
171.08220	1.0
171.11711	3.6
173.09650	1.0
173.13329	1.5
175.11218	8.2
177.09171	2.2
177.12782	1.9
179.10699	2.8
179.14275	1.2
183.11699	1.6
184.07333	2.4
185.09561	1.2
185.13187	1.3
187.11255	2.4
193.12259	19.4
195.11662	1.5
205.12334	1.9
215.12709	2.0
223.13344	1.9
227.12816	3.3
227.17966	1.5
229.14273	1.7
245.19040	4.6
249.14778	1.6
251.12869	1.6
253.14378	100.0
254.14740	1.2
263.20154	2.8
267.15942	65.3
273.18539	16.1
275.20218	1.4
283.15509	3.9
287.20102	9.0
291.19562	20.2
309.20761	1.2
343.22839	2.1
347.22189	7.9
365.23285	31.9
367.22409	1.2
371.22229	1.3
389.23169	2.3
421.26019	2.6
437.25351	2.0
445.25818	18.8
447.29306	1.9
461.25504	1.7
463.26947	26.0
464.27310	1.6
465.29956	4.4
475.26239	1.2
483.31073	3.1
529.35083	1.1
539.33771	17.9
543.36847	2.6
557.34778	96.7
558.34882	4.9
575.35986	5.0
589.37183	1.4
603.89703	1.3
806.88568	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	805.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.8
61.02938	0.9
69.03442	1.8
69.70798	2.2
71.05000	1.6
73.02930	0.5
81.03429	0.9
84.07315	0.5
85.02933	3.7
95.04966	0.7
97.02929	1.5
98.22865	1.2
98.23407	0.9
98.97597	2.5
102.96858	0.7
109.02935	0.9
110.97630	0.8
113.06026	1.9
116.98640	1.2
127.03931	1.5
128.98640	0.8
131.07074	2.3
145.05000	0.8
150.57542	0.5
153.01883	2.3
158.99805	0.6
163.02724	0.5
163.03963	2.3
175.04483	0.7
185.04279	1.6
209.04585	0.8
211.02902	0.6
213.06122	0.7
219.01868	1.5
229.03957	2.0
237.02870	1.7
247.06787	1.0
260.02615	0.5
277.03510	2.0
278.03809	1.3
279.04175	0.6
303.01495	1.3
304.02219	0.7
312.09793	1.5
315.10547	1.5
326.02850	0.6
331.07397	1.0
347.02972	0.7
349.08417	1.0
351.06906	24.4
376.03192	0.6
376.98633	0.6
398.98410	0.6
402.01465	0.6
417.82010	0.6
431.08459	0.9
477.13489	0.9
513.12225	100.0
514.12549	2.3
541.53461	0.5
580.52911	0.5
643.17017	0.7
758.73004	0.6
807.76392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	0.2
71.44930	0.1
73.65307	0.1
73.97176	0.1
79.01856	4.6
81.03410	0.5
89.74846	0.1
89.77743	0.1
97.02897	0.9
107.01331	0.9
109.02875	0.5
123.00791	0.2
125.02357	2.6
127.03934	1.2
131.04880	0.1
143.02269	0.1
143.03403	5.9
153.01830	100.0
153.02881	4.9
154.02161	1.3
158.79166	0.1
163.03896	0.1
191.03439	0.2
197.63831	0.1
205.04933	0.2
233.04396	0.6
237.03899	0.5
243.02919	0.2
261.03925	1.3
279.04977	1.8
297.06137	0.6
305.02985	0.8
312.38058	0.1
323.41333	0.1
415.10187	0.1
449.07095	4.3
450.07745	0.2
467.07941	0.6
619.09283	2.7
734.76666	0.2
735.67133	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	806.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	29.3
57.07069	6.4
59.04995	6.3
61.02927	6.8
65.03945	4.4
67.05505	100.0
67.05869	5.1
68.05859	2.8
69.03426	18.2
69.07068	53.5
71.01363	3.3
71.04993	27.6
73.02933	8.5
74.81823	2.7
77.03919	3.0
78.33739	2.3
79.05493	84.6
79.05948	4.7
81.03416	65.0
81.07055	87.7
83.04985	27.1
83.08624	33.2
85.02906	26.2
85.06552	8.0
91.03973	4.1
91.05480	82.6
91.06060	4.4
93.07043	65.1
95.04974	50.2
95.08597	35.2
97.02886	13.0
97.06531	68.9
97.10166	12.8
99.04483	3.7
99.08086	7.5
103.05487	4.9
105.04543	4.9
105.07026	51.0
107.04967	17.7
107.08596	30.6
109.02888	4.3
109.06501	24.2
109.10149	33.5
111.04450	3.3
111.08062	20.1
113.05945	2.6
115.05466	3.1
115.07585	24.1
117.07009	17.9
119.04944	3.2
119.08580	37.7
121.06528	14.2
121.10149	23.9
123.08103	9.5
123.11684	4.8
125.09610	12.9
127.03906	3.6
128.06221	3.5
129.05507	10.5
129.07007	19.8
131.08571	23.4
133.06522	6.4
133.10118	37.5
135.08073	12.2
135.11722	13.5
137.09639	7.6
139.07538	4.0
142.07851	4.9
143.07008	3.0
143.08574	5.8
145.10129	16.0
147.08078	8.3
147.11682	20.1
149.09634	17.8
149.13271	9.7
151.11200	5.8
153.01822	6.4
155.08572	4.3
157.08745	5.1
157.10146	18.8
159.08083	3.2
159.11703	10.9
161.09645	8.6
163.11183	11.3
165.09082	3.2
165.12714	4.7
171.11656	6.4
173.04514	2.9
173.09633	2.9
173.11809	5.0
173.13284	4.7
175.11150	14.2
177.12782	3.8
179.10709	3.2
185.13304	5.8
187.11159	3.4
189.11234	4.8
193.12230	38.6
195.13789	4.6
199.13298	3.1
199.44165	2.8
211.13284	48.6
217.15912	4.9
219.13728	3.1
227.12834	11.1
229.14272	13.7
230.24811	16.2
243.15938	3.8
249.14981	3.4
253.08362	2.9
255.17583	3.5
257.18951	2.9
267.15887	29.9
268.16617	5.0
269.17511	19.9
273.18524	19.7
275.20102	8.4
283.15372	13.3
285.16940	39.4
289.17841	3.5
291.19519	11.1
293.21228	2.5
299.14777	3.8
301.16440	22.3
312.85739	2.8
347.22287	3.5
349.23740	7.3
365.23196	6.0
421.25864	5.7
437.25519	13.0
439.26874	24.9
447.27417	3.8
461.28955	11.7
477.28357	4.7
478.29025	5.4
479.30133	21.2
480.25116	3.3
495.29495	3.3
541.34955	7.1
557.34918	9.8
559.36127	6.7
573.34192	6.7
575.35699	5.1
623.33942	6.2
681.74292	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	806.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	22.6
59.04990	6.0
61.02917	4.7
61.73005	2.1
65.03941	2.4
66.44453	1.5
67.05506	100.0
69.03430	8.0
69.07069	23.1
69.82246	2.8
71.01349	2.7
71.04996	10.7
73.02926	5.4
73.16087	1.6
79.05043	2.8
79.05495	50.1
81.03419	74.1
81.07056	71.2
82.26076	1.5
83.04981	23.4
83.08623	33.3
85.02908	34.0
85.06541	4.8
87.04472	5.5
91.03960	2.9
91.05482	57.7
92.05790	2.2
93.07047	36.5
95.04968	37.7
95.08606	32.4
97.02877	8.4
97.06522	9.0
97.10146	18.0
98.22816	3.0
99.08076	3.1
103.05504	2.4
105.07036	33.3
107.04958	14.6
107.08588	20.6
109.06522	9.4
109.09420	3.0
109.10161	54.7
111.04462	5.2
111.08081	15.7
113.06028	4.2
115.05479	2.6
117.07018	6.1
119.08582	28.9
121.06512	4.8
121.10152	15.4
123.08064	4.7
123.11765	2.5
125.09643	12.0
128.06258	1.7
129.07018	13.6
131.08551	17.0
133.06499	3.3
133.10123	21.2
135.08130	2.5
135.11699	6.9
137.09564	7.8
142.07793	2.0
143.10725	1.9
145.10133	7.3
147.08051	5.0
147.11670	15.7
149.09596	10.3
149.13243	1.8
151.11156	3.0
153.01880	1.7
153.12743	4.0
155.08525	1.9
155.10643	4.1
157.10132	17.5
159.11722	3.1
163.11224	8.5
165.12732	3.8
173.11758	17.0
175.11153	16.5
181.12234	4.8
189.11118	2.1
191.10722	2.0
193.12251	54.2
194.12482	1.7
199.13301	7.6
206.33244	1.8
209.11723	5.4
210.36494	1.5
211.13290	76.3
227.12721	9.1
229.14337	48.3
249.14948	2.1
253.14236	2.6
267.15915	31.5
268.16364	1.8
269.17538	4.5
272.05865	1.7
275.20078	1.8
283.15399	5.7
285.16974	60.9
288.32086	1.7
291.19623	1.9
301.16501	13.5
399.23788	19.9
409.25766	3.4
421.26028	11.5
423.27179	3.4
427.26956	3.7
439.26868	39.2
473.73761	1.8
475.26559	2.6
493.28207	4.4
511.29031	10.0
529.29840	2.5
543.36249	2.3
559.35522	5.1
591.35504	2.3
609.36340	36.0
807.40436	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	806.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	24.9
57.07069	5.8
59.04992	4.4
61.02919	8.3
65.03938	3.8
67.05502	100.0
69.03425	14.2
69.07066	68.4
69.07449	2.9
71.01356	2.0
71.04985	9.8
73.02914	6.0
77.03859	1.3
79.05488	62.8
80.06277	2.1
81.03418	32.4
81.07053	77.9
82.04195	5.8
83.04980	21.3
83.08613	21.2
84.02107	1.4
84.05730	1.4
85.02901	12.4
85.06537	6.0
86.09689	1.6
87.04478	2.3
91.03434	1.2
91.03953	3.4
91.05479	70.0
93.07042	60.6
94.04202	1.9
95.04356	1.3
95.04966	32.3
95.08601	50.3
96.05759	1.8
97.02867	10.8
97.06528	27.4
97.10159	21.4
98.07323	5.9
98.23470	4.0
99.04442	3.8
99.08096	3.1
101.06075	1.5
103.05488	1.7
105.04508	4.8
105.07030	49.4
107.04948	18.3
107.08590	32.8
109.02876	3.6
109.06509	8.3
109.09413	3.0
109.10152	52.7
111.04433	5.4
111.08080	8.7
113.05983	1.4
113.09682	1.7
115.05447	2.8
115.45802	1.3
116.04700	11.6
117.07011	17.7
119.08582	41.8
121.06487	6.7
121.10126	17.7
123.04438	3.7
123.08063	11.4
123.11710	3.7
125.08732	1.4
125.09626	25.8
127.03919	3.8
127.07605	1.4
127.11169	2.2
128.06238	3.0
129.05476	25.0
129.06950	12.0
131.08563	23.5
133.06488	3.4
133.10117	28.7
135.08047	9.5
135.11679	15.1
137.09586	19.5
139.07530	1.7
139.11166	2.2
141.07059	2.5
142.07791	1.4
143.07043	5.6
143.08563	7.7
143.10654	1.7
145.06512	2.5
145.10115	21.0
147.08066	6.1
147.11685	19.2
149.09616	24.4
149.13228	4.5
151.11180	7.9
153.09114	2.8
153.50967	1.3
155.08574	3.5
155.10631	6.4
157.08606	11.4
157.10123	11.2
158.05750	1.6
159.11681	14.4
161.09616	2.5
161.13269	9.8
163.11189	16.1
165.09183	1.9
167.10707	1.8
169.10120	3.9
171.06497	3.0
171.10182	4.9
171.11707	3.6
173.09663	3.0
173.11729	16.3
173.13258	7.5
175.11194	9.8
175.14825	1.4
177.12767	5.1
179.14247	4.1
181.10115	1.4
181.12187	1.7
184.07333	4.9
185.11734	1.8
185.13246	3.0
187.11206	2.4
189.11227	8.8
189.12740	1.8
191.10670	3.1
193.12192	11.1
195.13809	4.2
197.13246	3.5
199.09546	1.7
199.13243	10.0
199.14851	1.8
200.14061	2.4
201.14804	2.4
202.85814	1.2
205.12224	2.8
207.13811	1.8
209.11728	7.5
211.13272	9.6
217.16032	1.3
223.13234	3.7
225.11263	2.0
227.12740	13.5
229.14337	19.6
229.19537	2.9
235.13455	1.6
239.17975	2.2
243.15822	2.2
245.18941	1.8
247.20773	2.0
253.14317	5.1
255.15979	3.4
257.18942	7.9
267.15875	12.1
269.17465	3.7
273.18509	4.7
275.20041	42.9
283.15317	7.7
285.16989	5.0
291.19556	11.4
293.21066	2.8
299.14880	2.5
301.16431	49.3
325.20300	1.5
331.22498	1.7
333.23993	1.2
349.23730	47.0
365.18530	1.2
365.23212	6.5
383.24213	3.0
397.22198	5.0
421.25836	2.5
439.26501	3.0
445.29733	1.8
455.26437	10.3
461.28842	2.1
479.30103	7.8
511.28934	1.3
519.33105	1.7
541.34851	5.7
557.34375	2.3
559.36572	6.0
575.35748	35.0
576.35889	1.9
593.36749	5.8
609.36334	2.5
660.75409	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	806.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.2
57.07064	1.3
64.06014	0.9
65.03941	3.6
67.05503	40.8
69.03421	5.2
69.07068	16.7
71.04995	5.5
73.02945	1.4
77.03934	1.0
79.05492	37.6
81.03415	61.4
81.07056	44.9
83.04987	7.4
83.08620	21.0
85.02914	2.8
85.06532	2.8
91.05011	0.8
91.05479	34.4
93.07042	38.0
95.04966	26.1
95.08606	19.7
97.02895	3.7
97.06524	10.3
97.10171	7.0
99.08099	2.3
105.04520	1.3
105.07031	29.4
107.04945	7.0
107.08593	23.5
109.06514	6.0
109.10151	9.8
111.04455	2.7
111.08063	7.8
113.61525	1.1
115.05440	1.8
117.07015	10.5
119.08579	21.1
121.06487	4.9
121.10140	15.0
123.04403	1.6
123.08073	4.2
123.11705	3.6
125.09636	6.3
128.06267	1.7
129.05498	2.4
129.07001	11.4
131.08572	15.9
133.06493	4.5
133.10149	15.4
135.08067	4.8
135.11714	10.4
137.09622	4.4
141.06970	1.2
142.07809	1.2
143.08562	4.2
145.06471	2.4
145.10120	9.2
147.08026	4.9
147.11685	11.4
149.09622	8.4
149.13269	8.8
151.11189	1.9
155.08525	2.6
157.10120	11.6
159.08109	1.2
159.11688	9.9
161.09587	2.3
161.13264	2.5
163.11215	4.5
165.12811	1.7
169.10149	3.1
171.11679	3.5
173.09741	1.4
173.11826	1.3
173.13292	3.1
175.11130	8.6
177.12802	3.0
181.10265	1.3
183.11670	2.2
187.14850	1.2
189.11244	2.1
193.12212	17.3
195.13820	3.3
197.13245	1.2
201.12819	1.1
211.13268	3.1
211.61412	1.1
217.15799	2.6
221.13275	1.5
227.12730	5.9
229.14418	1.4
231.13712	1.1
233.15646	1.2
247.20644	1.2
249.14902	2.2
251.16350	1.3
255.15862	7.7
257.19009	3.0
267.15894	59.8
268.16144	1.4
269.17459	22.8
275.20056	11.4
285.16879	1.5
287.82996	1.2
293.21017	1.9
301.16840	2.0
349.23779	10.7
351.22983	1.6
367.24960	5.1
369.24265	3.6
387.25394	1.1
421.25577	1.5
435.27261	1.6
443.27939	8.7
447.27307	16.5
449.30447	1.3
457.43741	1.2
461.28958	100.0
462.29395	4.6
467.32104	1.5
479.29953	2.7
493.31735	9.2
501.32538	1.3
511.32523	1.5
523.34064	2.0
541.35211	25.3
542.35632	1.2
559.36340	13.1
560.35278	1.1
587.32092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.1
57.07080	4.7
59.05004	4.0
59.28294	1.0
61.02923	4.6
65.03939	5.5
65.56718	1.0
67.05504	96.5
68.05845	1.3
69.03432	8.3
69.07068	42.8
70.06591	7.0
71.01349	1.1
71.04993	41.8
71.08644	1.1
73.02918	2.0
77.03912	1.5
79.05494	43.9
81.03423	11.0
81.07056	100.0
82.07413	1.1
83.04971	10.2
83.08617	13.0
85.02911	6.4
85.06535	10.5
87.04478	2.6
88.07632	8.4
91.03933	1.6
91.05478	51.1
93.07047	44.0
95.04972	10.7
95.08605	37.1
97.02898	6.5
97.06538	15.5
97.10154	7.5
99.04468	2.0
99.08105	3.0
102.09174	5.4
105.04522	3.1
105.07027	33.1
107.04951	5.7
107.08594	27.3
109.02868	1.6
109.06516	5.8
109.10150	32.6
111.04449	1.9
111.08061	6.6
113.06057	0.9
113.09636	1.1
115.05514	1.3
117.07033	11.1
119.08573	21.1
121.02869	1.2
121.06506	2.7
121.10153	14.0
123.08104	4.3
123.11715	16.2
125.09611	6.8
127.03921	2.5
127.07560	1.5
129.05470	2.9
129.07008	5.1
130.07742	1.2
131.04984	1.5
131.08569	15.2
133.06491	1.4
133.10130	32.4
133.11124	2.0
135.08067	4.3
135.11676	8.8
137.09612	11.8
139.11165	1.9
141.06985	1.4
142.07841	1.1
143.08604	2.5
145.10118	9.0
147.08047	1.8
147.11678	8.5
149.02347	31.2
149.03452	3.2
149.09616	17.0
149.13277	7.8
151.11163	11.3
155.08545	1.7
155.10689	2.6
157.10114	4.1
159.11693	10.8
161.09651	1.9
161.13257	4.9
163.11189	6.7
169.10158	1.6
169.12265	3.0
171.10239	1.3
171.11713	3.8
173.04512	1.1
173.11754	8.0
173.13290	3.3
175.11227	2.3
177.12727	4.9
179.14349	2.9
183.13849	7.6
184.07326	2.1
185.13274	2.6
187.11530	1.2
187.13327	7.0
187.14842	1.8
189.11263	2.0
189.12796	1.2
193.04965	12.3
193.12263	2.0
195.13829	3.9
197.13310	2.0
199.14874	1.2
201.14845	1.9
213.14908	1.5
223.13277	2.5
225.14847	3.5
227.12788	4.4
229.14259	7.6
229.19617	2.3
240.32887	1.1
243.16031	5.5
247.20673	1.6
253.17888	1.1
256.26334	17.8
257.17163	2.1
257.19415	2.3
267.15884	2.6
269.17383	7.3
273.18509	4.1
275.20071	16.2
285.17053	2.5
291.19568	7.8
293.21204	2.0
301.20032	22.5
331.22821	1.1
333.24146	1.2
349.23682	18.9
350.24298	1.3
365.23126	3.7
367.24817	2.4
383.24295	1.4
385.09149	2.8
395.92465	1.0
397.25867	13.2
403.28510	4.1
411.27420	11.7
421.29572	1.2
423.27380	4.5
435.26636	1.3
437.29211	2.1
455.30023	17.5
469.31247	2.2
479.33829	2.2
489.35562	1.8
495.33832	1.5
499.34253	2.7
504.34177	2.0
517.35284	38.9
518.35834	1.4
523.33600	1.3
525.98108	1.0
531.36639	6.6
533.34680	6.2
541.29401	2.1
543.36810	14.6
545.38208	1.2
549.37848	1.9
559.36383	1.2
575.39410	15.3
577.13300	7.0
591.38922	1.7
593.40295	2.0
648.08704	1.1
806.37219	31.1
807.37750	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	806.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.9
57.07076	1.4
58.23854	1.0
67.05503	48.0
69.07069	23.4
69.16813	5.7
71.04997	1.7
79.05491	30.8
81.03418	3.9
81.07053	54.1
83.04990	4.6
83.08623	6.2
85.06534	1.4
86.09713	2.6
87.60823	1.0
91.05476	35.5
93.07039	41.8
95.01311	5.7
95.04964	6.6
95.08606	32.8
95.09215	1.5
97.06527	13.5
97.10194	2.4
98.22559	1.6
99.08089	1.2
103.05491	1.2
105.04517	2.0
105.07028	45.2
107.04942	9.6
107.08598	17.2
109.06518	4.3
109.10156	10.4
111.08099	2.8
117.07017	10.1
119.08578	26.2
121.06476	2.0
121.10140	13.8
123.04423	1.2
123.08083	2.3
123.11732	3.0
129.07002	1.5
131.08562	12.8
133.10126	29.8
135.08099	2.6
135.11694	7.1
136.10448	0.9
137.09593	2.1
139.39609	1.0
141.06953	1.2
143.08574	2.6
145.10114	11.7
147.11685	10.8
149.09659	3.1
149.13254	5.2
151.11214	1.8
157.10127	2.6
159.11685	6.5
161.13235	3.9
163.11165	1.7
163.14790	1.2
166.31598	1.0
171.11687	1.5
173.13255	2.0
175.14888	1.2
177.12683	1.9
179.14276	7.2
183.11725	1.7
184.07356	4.5
187.11163	2.0
219.17453	4.1
226.63264	1.0
239.18007	1.3
240.96454	1.1
257.18964	1.6
261.22284	1.5
275.20065	30.4
335.25790	59.9
336.26138	1.2
349.23679	16.3
349.27701	1.3
515.62988	1.2
609.45117	100.0
610.45319	5.0
612.02173	1.0
618.28583	1.2
654.04456	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	808.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	27.2
57.07075	2.9
59.04995	2.4
61.02927	5.0
65.03936	5.1
67.05504	100.0
69.03436	7.9
69.07065	44.9
71.05000	10.9
73.02895	3.7
77.03892	1.6
79.05491	65.5
81.03419	59.0
81.07056	88.1
82.04213	2.3
83.04980	24.7
83.08186	2.7
83.08622	33.0
85.02901	19.9
85.06538	6.1
91.03964	2.7
91.05482	69.5
93.07045	59.0
95.04964	40.2
95.08605	40.5
97.02867	8.6
97.06518	18.8
97.10173	15.1
98.07315	2.0
98.23458	5.1
99.04497	1.7
99.08081	2.8
105.04507	3.0
105.07032	50.9
107.04954	20.3
107.08588	38.0
109.02887	2.0
109.06503	11.6
109.10156	41.5
111.04438	3.7
111.08096	17.2
113.06021	3.3
115.05399	3.2
116.04677	4.7
117.07014	14.8
119.08582	41.3
121.06538	7.6
121.10159	21.5
123.08085	12.5
123.11718	5.6
125.06036	1.6
125.09634	15.1
127.03927	2.4
127.07560	2.2
128.06229	1.9
129.05496	15.0
129.06992	12.4
131.08572	26.3
133.06488	5.2
133.10132	33.8
134.10524	1.5
135.08051	6.9
135.11694	11.5
137.09610	16.1
139.11264	2.3
142.07787	2.3
143.07085	4.2
143.08527	2.9
145.10130	15.9
147.08064	5.8
147.11681	23.7
147.84529	1.7
149.09612	20.6
149.13251	10.4
151.11253	3.4
153.09048	2.7
155.08572	2.6
155.10626	2.1
157.08672	4.2
157.10135	18.8
159.11707	12.0
161.09639	3.7
161.13222	3.2
163.11195	10.2
165.12764	5.3
169.10150	2.4
171.10167	5.3
171.11620	3.4
173.11745	11.5
173.13274	5.0
175.11189	19.8
177.12749	4.5
179.14339	2.3
184.07303	1.8
185.09723	2.2
185.11699	1.8
187.11188	1.9
189.11235	4.5
193.12231	46.8
195.13837	4.9
197.13298	2.1
199.13290	3.9
200.14120	1.8
209.11635	2.3
211.13280	54.4
213.14755	2.5
227.12727	11.7
229.14307	16.6
247.20787	1.9
255.15880	1.9
257.18958	7.0
259.15259	2.2
267.15884	23.3
269.17474	17.7
273.18604	2.7
275.20071	27.6
283.15396	6.8
285.16962	37.6
291.19504	6.9
293.21185	5.6
301.16486	33.5
347.22275	2.3
349.23730	29.7
365.23294	3.9
367.24765	6.4
373.18469	2.6
381.23209	1.7
411.27054	4.3
421.25693	13.8
423.27362	11.1
431.27930	3.1
435.26752	1.8
439.26941	40.2
461.28860	6.5
463.30273	3.4
477.28366	6.4
479.29987	14.8
495.29565	23.1
541.35187	15.4
557.34973	3.0
559.36298	31.2
575.35767	17.8
577.37073	7.2
593.36719	12.0
809.36835	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	16.5
67.05514	44.5
69.07060	13.2
70.87852	9.1
79.05488	34.2
81.07052	55.8
91.05501	44.9
93.07041	58.9
93.59890	7.0
95.08601	32.0
101.85754	6.7
105.07034	20.7
107.08585	25.2
109.10137	17.3
115.53319	6.7
117.07009	8.1
119.08575	17.5
121.10161	20.5
123.11674	7.7
131.08636	10.9
133.10117	18.3
145.10132	7.7
147.11710	11.8
149.13216	10.3
159.11697	11.7
161.13130	6.6
259.20557	21.2
277.21680	18.8
316.48337	6.5
333.24271	20.3
335.25821	100.0
351.25278	33.7
374.45490	6.9
611.46686	66.9
669.55273	7.2
727.19794	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	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	14.7
57.07063	5.4
61.02916	3.0
65.03933	5.7
67.05502	89.1
69.03421	1.7
69.07065	26.5
71.04996	3.4
77.03910	2.2
79.05492	80.5
81.03416	2.6
81.07056	83.1
83.04991	3.6
83.08610	12.7
85.02882	4.3
85.06530	4.2
86.51682	1.5
91.05478	82.9
93.07043	90.0
95.04980	11.0
95.08603	69.0
97.02888	2.1
97.06503	4.6
97.10178	4.7
98.23471	3.2
99.08106	2.9
103.05454	2.6
105.04512	6.3
105.07028	76.0
107.04940	2.0
107.08591	45.6
109.06542	2.1
109.10152	29.1
111.08089	2.7
115.05423	3.7
117.07021	23.8
119.07738	3.6
119.08576	54.4
121.10132	32.7
123.08025	2.8
123.11705	8.8
125.09637	1.9
129.06995	11.3
131.08557	31.1
133.10117	41.4
135.08072	2.2
135.11694	26.7
137.13228	2.0
141.06905	2.3
143.08514	10.1
145.10120	28.3
147.11681	37.2
149.09608	2.6
149.13258	16.3
155.08560	3.2
157.10086	9.7
159.11696	21.7
161.13257	26.9
163.11092	1.7
163.14780	8.0
165.55746	1.9
169.10132	2.3
171.11714	13.3
173.13240	16.9
175.11081	2.0
175.14772	10.5
177.12761	2.4
183.11696	3.8
184.07381	2.1
185.13300	12.3
187.14806	6.1
189.16463	2.8
197.13327	4.1
199.14838	7.4
201.16496	3.1
213.16399	5.1
215.17874	2.6
229.19600	2.3
231.21046	4.1
239.17929	2.9
241.19537	25.7
243.21053	4.3
257.18954	9.0
259.20557	64.0
261.22131	15.8
275.20154	2.7
277.21579	2.4
301.21292	1.9
315.23129	6.9
317.24765	1.9
333.24210	61.4
335.25800	100.0
336.26099	3.1
337.27252	4.6
349.24045	1.9
351.25247	4.0
353.28259	1.8
385.23749	1.5
403.24658	2.5
406.37341	1.8
452.34714	1.9
519.41968	6.5
537.43475	2.0
541.38165	1.9
593.45660	17.2
611.46619	70.4
612.46411	4.4
701.47821	2.2
719.48090	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	809.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.55481	0.3
59.05010	0.8
61.02936	4.1
65.21222	0.3
67.05518	4.0
69.03442	2.8
69.07082	1.5
69.88802	0.3
71.01352	0.7
71.04999	1.3
73.02928	3.3
79.05509	3.6
81.03423	5.2
81.07063	4.3
83.05012	1.1
83.08636	1.2
85.02903	4.6
87.04493	0.6
91.03957	2.4
91.05494	5.3
93.07043	3.4
95.04991	1.9
95.08606	2.7
96.42242	0.3
97.02910	3.4
97.06565	1.0
98.22713	1.1
99.04484	1.0
101.02390	1.7
105.07053	3.1
107.04974	1.0
107.08605	2.0
109.02908	0.6
109.06551	1.1
109.10175	1.3
111.08115	0.8
117.07051	0.8
119.08588	1.9
121.06517	0.5
121.10184	1.3
123.08089	0.8
125.09618	0.5
127.03967	1.1
129.05513	0.4
129.07048	1.1
131.08580	2.3
133.10162	2.7
135.11714	0.6
145.10164	0.6
147.11743	1.6
149.09625	1.8
151.11285	0.6
157.10172	1.2
159.11755	0.6
165.12802	0.6
175.11177	1.8
184.07347	0.7
185.04277	0.4
193.12245	2.5
225.14970	0.6
243.08447	3.7
267.08783	0.4
267.16019	0.9
273.18698	0.6
283.15109	2.7
301.09418	0.4
313.17911	1.0
315.10629	0.5
327.47849	0.4
331.18872	2.5
339.18045	1.1
350.10315	0.4
377.97318	0.4
387.21704	0.5
437.17554	0.5
451.19513	1.7
469.20456	0.4
501.23102	11.7
521.27899	0.4
531.25537	2.5
549.26587	2.9
573.25201	1.6
587.26898	0.4
639.30023	1.8
711.35272	1.0
731.41034	0.4
740.36328	0.5
791.41785	6.5
792.42444	0.5
809.42725	100.0
810.43225	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	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44107	0.5
57.03438	1.8
59.05001	0.9
61.02925	3.5
67.05497	3.8
69.03433	2.7
69.07071	2.6
69.16758	2.2
71.01373	0.5
71.05000	1.5
72.82986	0.4
73.02913	2.9
79.05486	3.8
81.03418	4.6
81.07059	4.5
83.04980	0.8
83.08639	0.8
85.02898	4.1
85.06527	0.5
91.03970	1.6
91.05475	4.1
93.07056	3.3
94.07376	0.5
95.05004	1.9
95.08627	1.3
97.02889	3.8
97.06549	1.1
97.10179	1.0
98.22678	0.8
99.04486	0.4
101.02411	1.5
105.07014	2.4
106.39517	0.3
107.04990	0.7
107.08604	2.0
109.02903	0.6
109.06534	0.4
109.10184	1.4
110.00747	0.3
111.08104	0.6
112.46942	0.3
117.07047	0.5
119.08569	1.9
121.06508	0.4
121.10190	1.5
123.11672	0.3
125.09676	0.8
127.03931	1.1
129.07018	0.8
131.08569	1.8
133.10147	1.5
135.08104	0.4
145.10162	0.4
147.11690	1.0
149.09656	1.4
153.40709	0.3
154.42993	0.4
157.10161	1.0
159.11754	0.4
163.11258	0.6
165.12807	0.4
175.11182	0.9
184.07242	0.4
185.04237	0.7
188.01360	0.3
193.12294	1.5
197.94646	0.3
203.05289	0.6
220.43069	0.4
223.13448	0.7
225.15009	0.6
232.65596	0.4
243.08374	4.6
253.14122	0.5
267.15921	0.7
269.17529	0.4
270.17691	0.4
271.41745	0.4
283.15192	2.7
291.19736	1.3
301.09122	0.5
331.18900	1.7
339.17987	1.1
441.21341	0.5
451.19461	0.5
459.49072	0.4
469.20370	0.5
499.21585	0.4
501.23059	12.6
528.75006	0.4
549.26758	6.4
599.73291	0.4
763.67059	0.5
786.69879	0.4
809.42883	100.0
810.43188	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.4
57.03436	2.0
61.02925	5.1
67.05515	6.1
69.03426	5.8
69.07075	2.0
71.05003	1.8
73.02935	3.1
79.05507	4.5
81.03446	3.7
81.07059	6.3
83.08595	1.3
85.02925	4.3
88.55763	0.9
91.03973	2.9
91.05509	3.8
93.07071	3.1
95.05019	1.4
95.08619	2.0
97.02884	4.4
98.97633	1.5
101.02412	1.9
105.07037	1.6
107.08597	2.0
109.02808	1.0
109.06522	1.3
109.10196	1.9
111.08100	1.1
112.99152	1.3
114.70650	0.9
117.07133	1.1
119.08636	1.3
121.10176	2.3
126.13380	1.0
127.03934	1.2
131.00197	2.6
131.08591	1.6
133.10213	1.9
134.27058	1.0
147.11714	2.0
149.01222	1.6
149.09645	0.8
157.10121	1.0
160.09114	1.2
177.00659	1.4
184.07465	1.6
243.08511	4.9
257.11316	1.0
269.10712	1.7
283.08932	1.5
283.15289	3.4
293.05676	1.6
301.09464	1.2
333.20578	2.4
339.17957	1.2
349.16882	1.4
373.11353	1.0
388.99881	1.0
401.15805	1.2
413.17819	1.0
453.21204	1.4
457.20532	1.0
469.20499	1.6
493.21552	1.7
501.16589	1.7
501.23035	10.4
551.28308	6.9
557.20410	3.5
567.25543	1.6
621.99066	1.0
639.28278	2.0
641.31226	5.9
653.31494	1.1
667.32098	1.6
683.30231	10.5
709.35516	1.4
713.36664	1.1
721.38049	5.2
725.32111	4.8
729.40802	1.0
765.39447	1.2
779.41510	1.6
793.38965	2.4
811.42255	100.0
812.41589	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	811.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.8
57.03431	2.7
59.64555	0.8
61.02925	4.8
62.09748	0.7
67.05497	5.7
69.03426	3.7
69.07078	2.1
71.04984	1.8
73.02921	2.6
79.05511	5.2
81.03425	4.7
81.07062	6.2
83.08633	1.3
85.02908	5.0
91.03940	3.8
91.05488	5.0
93.07041	4.2
95.04970	1.9
95.08611	2.7
97.02893	3.4
97.06512	0.9
98.97583	1.7
99.04468	1.0
101.02392	1.2
105.07014	3.0
107.08584	2.3
109.10187	2.2
112.99145	1.3
119.08602	1.7
121.10162	2.0
127.03899	1.2
131.00189	1.4
131.08556	1.8
133.10181	0.8
147.11739	2.1
149.01242	1.2
149.09563	1.2
157.10051	1.3
193.12262	1.9
243.08496	3.4
261.10101	1.4
267.15973	1.0
269.10605	2.3
271.08493	1.4
283.15182	3.6
293.05396	0.9
301.09128	1.5
333.20267	2.6
361.65060	1.1
370.59573	0.9
401.16116	1.3
453.20572	1.2
469.20404	1.2
477.17993	1.0
483.16077	0.9
501.16367	1.4
501.23074	11.5
551.28253	5.9
557.19763	4.4
641.31177	5.3
667.31635	1.1
683.30096	11.0
709.34772	1.6
713.37024	1.3
725.31354	4.5
765.39111	1.3
793.37775	1.6
794.38104	1.7
811.43750	100.0
812.43872	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	811.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
57.03566	1.0
61.02786	4.1
61.03124	1.8
67.05347	6.4
67.05753	3.2
69.03279	2.0
69.06959	1.1
73.02754	3.2
79.05328	2.4
79.05826	1.2
81.03258	2.8
81.06883	2.8
83.08494	1.1
85.02729	6.0
85.03279	1.5
91.03767	4.1
91.05306	3.6
91.05915	1.4
92.87859	0.7
93.06868	1.9
95.04818	1.4
95.05338	0.8
95.08419	2.3
96.07967	1.8
97.02689	4.1
99.04340	0.8
101.02185	2.7
104.30443	0.7
105.06908	1.3
109.02733	1.1
109.06377	0.7
109.09946	5.4
119.08372	2.5
119.09138	1.1
121.09960	0.9
127.03741	2.1
129.05293	0.9
131.08418	1.1
133.09991	1.4
135.15616	0.7
145.04778	0.9
147.11531	1.1
149.09430	0.7
153.32088	0.6
155.10468	0.9
166.81773	0.7
173.11508	3.5
175.10995	1.2
180.99591	0.8
184.07147	0.9
185.03946	2.2
187.14925	0.7
193.11964	1.2
195.09775	0.8
229.14180	1.6
238.87808	0.7
243.08389	4.0
251.12346	2.5
301.08759	3.1
349.15952	0.9
355.13397	0.7
373.10648	1.3
385.18170	1.6
387.12247	0.9
408.64615	0.7
413.12540	1.0
413.17810	15.4
433.25769	0.8
443.18869	0.9
469.20425	14.2
479.26001	1.2
485.19766	1.2
501.23059	1.0
503.23734	1.0
528.21606	1.8
541.22455	1.8
567.31567	6.1
583.29364	1.0
612.30841	1.1
639.29474	0.8
641.31390	100.0
642.31622	3.4
669.34558	2.2
697.34039	2.4
721.37109	2.5
725.31616	1.2
733.40796	1.1
765.42230	2.4
809.43756	0.8
810.43280	1.6
811.42395	47.8
812.41040	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	811.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
57.07069	1.2
58.68111	0.6
61.02933	7.0
62.23788	0.6
67.05508	5.4
69.03424	4.6
69.07084	2.7
70.99521	0.6
71.04998	1.9
73.02913	4.8
78.74741	0.7
79.05507	3.3
81.03442	3.2
81.07065	4.8
83.01113	1.0
83.04981	2.0
83.08636	1.2
84.01874	0.9
84.80144	0.7
85.02911	6.4
87.04503	0.9
89.80811	0.7
91.03484	0.8
91.03958	5.0
91.05501	3.2
93.07063	2.9
95.01105	1.3
95.04991	2.0
95.08615	1.8
96.01892	1.6
97.02907	6.6
97.06545	1.2
99.04480	1.5
101.02396	2.1
105.07112	1.2
107.04874	0.9
107.08626	2.2
109.02866	1.7
109.06563	0.8
109.10178	3.1
117.07059	1.1
119.08621	1.5
121.10199	1.4
123.04206	1.4
125.09676	0.9
127.03941	2.5
129.05522	3.2
131.00330	0.7
131.08585	0.8
133.10193	1.0
135.11691	1.8
135.18163	0.7
145.04984	1.1
145.10181	1.0
147.11699	0.8
156.03864	0.7
156.39037	0.7
159.11700	0.9
173.11739	1.2
181.04791	1.7
184.03531	1.2
185.04243	6.9
195.06236	1.0
199.05881	1.1
201.03638	3.8
203.05276	0.9
209.11522	0.8
221.11557	1.0
228.91541	0.9
241.06956	0.8
243.08424	6.5
249.11015	0.9
259.07901	1.2
263.12643	1.0
269.10651	1.3
281.13544	0.9
287.11697	0.9
289.14111	0.8
293.13861	1.3
299.66214	0.8
301.08923	20.1
313.08994	2.1
315.10605	4.0
317.08694	1.2
319.15063	0.9
327.10754	1.3
327.14313	1.0
337.16614	0.8
341.12170	1.5
355.13654	1.2
357.15228	1.2
369.15350	2.1
370.89401	0.8
373.11057	7.1
383.16824	3.5
385.18344	11.0
387.12842	2.1
401.17773	2.3
413.18088	4.3
415.15182	0.9
423.19958	0.8
429.17358	2.7
439.19568	3.5
455.19135	1.2
457.20660	3.1
465.20764	0.9
467.18909	2.1
469.20566	3.1
473.20276	2.0
481.20599	3.8
485.19968	3.5
487.18546	1.6
497.20160	1.0
499.21747	0.9
501.23181	1.3
511.21771	2.5
525.23224	1.1
527.20825	6.1
539.21338	1.5
549.26715	1.4
553.23022	2.6
557.22247	2.0
593.29590	0.9
596.31989	3.0
599.30444	2.1
609.32928	5.5
609.41132	1.2
611.30450	5.3
623.30676	1.9
625.31952	1.2
637.31665	0.9
639.29950	1.0
641.31396	7.8
653.31183	0.8
657.31042	2.1
665.34418	1.1
667.32288	1.9
681.33600	0.8
683.32336	7.3
684.32800	1.0
686.15259	0.8
693.38184	1.1
707.32373	1.6
709.37451	1.4
721.37463	9.7
725.33405	21.9
726.34546	1.1
751.39014	1.1
765.37579	0.8
793.40009	2.6
811.41187	100.0
812.41718	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	811.4222
Annotation	Vinblastine
Peak:m/z	Relative Intensity
57.03433	0.7
61.02930	0.9
64.43964	0.4
67.05514	2.1
69.03429	0.6
73.02937	0.7
79.05502	1.2
81.03419	0.8
81.07079	1.9
83.04975	0.6
83.08626	0.8
85.02916	1.2
91.03968	0.8
91.05479	1.0
93.07033	1.3
95.05002	0.8
95.08651	0.8
96.08151	1.8
97.02901	1.3
97.06575	0.5
98.22676	0.9
105.07063	0.9
107.08621	0.5
109.10197	0.9
121.10179	0.9
126.42410	0.5
133.10161	0.8
149.01260	0.5
184.07379	0.8
267.09161	1.3
267.53635	0.5
285.10294	0.9
301.09103	0.7
373.11227	0.5
385.18286	0.7
413.17819	1.5
469.20544	0.6
485.16956	1.5
485.23514	0.9
501.23016	0.7
551.26257	0.7
569.26477	0.6
590.91833	0.5
599.76178	0.5
641.31512	8.1
642.31677	1.0
707.39447	0.7
721.36090	1.8
725.37219	1.1
765.41992	1.9
811.42480	100.0
812.42859	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
57.33031	0.3
59.05008	0.7
59.61406	0.4
61.02927	5.9
67.05503	4.1
69.03426	3.4
69.07066	1.9
70.70969	0.6
71.04996	1.8
73.02921	3.4
79.05502	4.9
81.03423	5.0
81.07056	4.3
81.07423	0.4
83.05009	1.2
83.08640	1.1
85.02907	5.5
85.06577	0.7
87.04498	0.8
91.03960	2.8
91.05492	3.8
93.07055	4.5
95.05000	2.3
95.08643	1.8
97.02905	4.8
97.03470	0.4
97.06581	1.2
97.10191	0.4
98.58893	0.4
99.04500	0.8
101.02366	2.0
103.03926	0.6
105.07035	2.7
107.08589	2.6
109.02877	0.9
109.06586	0.5
109.10204	1.0
111.08090	0.9
119.08589	1.8
121.06574	0.5
121.10152	1.8
122.95052	0.4
123.08105	0.6
127.03966	1.7
129.07036	0.7
131.08624	1.8
133.10143	1.9
134.91994	0.3
135.11746	0.9
137.09663	0.8
144.98814	0.4
145.10190	0.7
147.11685	1.9
149.09706	1.6
151.11229	0.4
157.10173	1.4
175.11290	0.6
185.04234	0.6
193.12346	1.4
203.05402	0.8
209.54004	0.4
225.15005	0.5
243.08409	3.8
251.12872	0.4
267.16101	0.6
274.89328	0.4
283.15155	5.6
289.66763	0.4
320.44836	0.4
333.20569	2.1
339.17911	1.0
369.81503	0.5
389.23370	0.6
439.19681	1.8
453.20734	2.2
465.61917	0.5
469.20667	1.8
501.23032	16.4
526.07947	0.4
551.28210	8.5
557.20508	0.5
601.26654	0.4
628.36853	0.4
649.38763	0.6
713.37616	0.5
743.03070	0.4
775.32977	0.5
811.44531	100.0
812.44952	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	811.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.4
57.07085	0.8
58.45149	0.8
61.02931	8.1
67.05504	11.6
69.03436	5.8
69.07081	3.1
69.54415	3.4
70.06605	3.0
71.01351	1.1
71.05006	4.2
73.02917	6.5
79.05494	5.4
81.03412	3.7
81.07053	7.1
83.05003	0.9
83.08643	1.8
85.02908	9.2
91.03956	6.3
91.05486	4.9
93.07058	3.9
95.04991	1.2
95.08640	2.7
97.02895	8.8
97.06518	1.1
99.04467	1.1
101.02365	3.6
105.07019	2.2
107.08634	3.5
109.02931	2.1
109.06476	1.0
109.10148	5.3
115.03948	0.8
117.07005	1.0
119.08588	1.4
123.11720	1.5
127.03934	3.1
129.05469	0.9
131.08652	1.6
133.10146	3.6
135.11719	1.0
149.13258	1.4
159.11772	1.4
165.09007	1.0
173.11819	1.3
181.04846	1.0
183.06454	1.2
185.04193	5.2
201.03732	2.2
201.14964	0.9
203.05327	1.1
207.27617	0.8
221.11693	0.9
223.13205	1.1
243.08427	7.1
257.17471	1.4
259.08224	0.9
267.15698	4.8
293.17337	1.4
301.08923	13.6
301.11853	1.0
307.18912	2.4
315.10654	3.4
323.18021	1.3
341.12225	0.8
357.15460	1.3
365.19492	2.1
373.11038	5.8
385.18243	8.9
387.13214	0.8
399.20013	1.0
411.20053	2.5
413.17752	9.9
415.15790	1.2
425.21753	2.9
429.17691	1.3
439.19467	2.5
441.21207	1.8
449.28964	2.2
453.20956	1.1
457.19934	1.4
457.25055	1.2
471.21661	1.1
481.20410	5.8
485.23669	23.4
486.24088	1.3
495.29459	1.2
501.22922	5.1
513.23248	2.8
529.22675	1.5
535.28723	1.7
557.25159	6.5
569.32990	2.3
571.27466	2.1
585.30591	1.8
597.32428	1.5
599.34149	9.9
611.31268	0.9
623.33722	2.4
627.33679	2.8
639.33807	3.9
641.30566	2.4
649.45074	1.5
654.35986	1.1
657.34290	5.3
665.35077	1.9
681.34521	2.7
683.36273	3.2
707.39679	38.8
708.40454	1.6
725.37134	28.8
765.43787	7.9
793.43414	4.9
809.42444	4.4
811.44373	100.0
812.45190	4.8
827.92377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.7
59.05024	1.1
61.02937	9.0
67.05508	8.6
68.52706	0.7
69.03432	5.3
69.07077	1.3
71.05005	2.3
73.02916	6.4
76.75941	0.7
79.05489	6.4
81.03407	7.9
81.07056	9.4
83.04995	1.4
83.08645	2.6
85.02915	8.7
87.04492	1.9
91.03966	4.1
91.05479	7.5
93.07043	7.4
95.04984	3.6
95.08628	3.5
97.02892	7.1
97.06562	1.1
99.04459	1.4
101.02394	3.0
103.03998	1.3
105.07037	3.9
107.04987	1.2
107.08624	3.0
109.02923	0.9
109.06519	1.7
109.10172	3.1
111.08114	1.2
115.03932	1.3
119.08605	3.3
120.53719	0.8
121.10175	2.4
127.03952	2.7
129.05536	1.3
129.07034	2.7
131.08571	2.2
133.10143	2.9
147.11751	3.3
149.09676	2.2
157.10147	1.1
159.11627	0.9
171.11743	1.2
175.11247	1.8
184.07448	1.3
185.04301	2.0
193.12317	2.2
201.03754	1.3
243.08389	6.8
247.13185	2.0
253.13963	0.9
265.14276	0.9
267.16013	2.3
283.15125	6.6
301.08994	3.3
315.10690	1.0
339.17947	2.3
373.11221	1.8
385.18729	1.7
413.17700	5.6
429.17307	1.0
465.20929	15.5
466.21664	0.9
469.20786	2.8
485.23816	3.6
501.23016	24.5
502.23676	1.0
529.22888	1.2
535.29095	2.2
545.31073	1.0
551.28516	2.2
563.31738	1.7
573.25317	1.5
641.31055	3.3
653.30939	1.1
681.34650	1.1
683.36279	1.3
693.34668	1.6
695.36584	2.0
707.39722	34.7
708.39526	1.8
709.37524	3.1
713.36951	2.5
723.40027	1.6
725.37335	94.1
726.37482	4.0
731.50464	0.9
765.42053	1.8
793.43359	10.9
811.43042	100.0
812.43866	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	812.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06364	0.2
58.06634	0.5
59.07404	0.2
60.08166	4.9
61.31282	0.2
67.05492	0.3
69.07086	0.1
69.14717	0.8
69.15134	0.4
70.74445	0.1
71.07378	3.5
79.05488	0.3
81.07079	0.4
86.09710	28.6
87.10035	0.1
91.05489	0.3
93.07064	0.4
95.08601	0.4
96.57206	0.2
98.98472	3.1
104.10741	2.2
105.07034	0.4
107.08604	0.3
125.00008	18.8
143.01083	0.3
184.07344	100.0
185.07655	0.6
236.70100	0.2
243.78331	0.2
275.19919	0.2
279.31488	0.2
488.05756	0.2
599.21649	0.2
681.87683	0.2
707.36127	0.2
708.37891	1.6
709.37634	0.2
776.52222	9.7
777.52380	0.4
808.76709	0.2
812.43976	0.2
813.42798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79943	1.0
57.03438	2.4
61.02930	3.7
67.05502	3.3
69.03430	3.1
69.07065	1.9
71.05032	1.0
73.02925	2.7
79.05496	2.2
81.03010	0.9
81.03426	4.4
81.07050	6.4
83.08652	1.1
85.02907	5.2
87.14735	0.9
89.63274	1.0
91.03967	4.6
91.05492	2.8
93.07056	2.8
95.04954	1.3
95.08635	2.4
97.02914	4.0
97.06489	1.0
101.02384	1.2
105.07060	2.1
107.04948	1.1
109.10169	1.8
121.30562	1.1
127.03933	2.3
129.05492	1.8
135.11754	1.4
146.25623	1.0
175.69081	1.0
181.04712	1.8
185.04254	4.5
193.12233	1.1
201.03668	1.2
243.08530	4.5
251.12552	2.5
277.14401	1.7
301.08948	16.0
307.15091	1.1
315.10687	3.1
349.16290	2.3
351.21497	2.0
355.13675	1.3
357.15063	1.8
357.78986	1.1
373.10892	5.5
376.99677	1.2
383.17001	3.0
385.18353	10.0
387.12753	1.7
429.17441	2.0
439.19302	1.5
443.18954	5.1
449.25214	1.5
469.20660	7.4
473.20132	1.6
485.19766	3.2
499.21652	3.6
527.28735	1.3
528.21887	3.0
533.34418	1.9
541.22516	8.3
569.29767	5.8
583.29590	1.5
597.14996	1.1
611.30389	2.4
612.31219	3.0
625.32159	1.7
641.31549	6.9
669.34814	1.2
711.39636	2.4
795.41455	3.1
813.42358	100.0
814.42670	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
60.56188	0.6
61.02933	2.2
65.46425	0.6
67.05510	2.5
69.07085	1.0
73.02924	2.2
79.05508	1.9
81.07063	1.7
83.58183	0.6
85.02921	2.2
86.09729	2.1
91.03960	1.8
91.05484	1.4
93.07057	2.6
95.08626	1.2
97.02907	1.4
99.04469	0.7
101.02377	1.3
105.07063	1.4
115.56264	0.6
119.08590	1.0
125.00020	1.0
133.10197	0.9
142.98799	0.6
184.07358	5.9
207.03795	0.6
243.08525	0.8
281.76483	0.6
519.29181	3.9
535.28900	3.6
813.51196	100.0
814.51514	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43744	0.1
65.03938	3.7
68.02643	0.5
68.99819	0.1
69.03460	0.1
70.22839	0.2
71.01349	0.6
79.01850	1.7
81.03410	0.9
83.01372	0.2
83.04979	1.1
83.05424	0.1
85.02942	0.1
93.03401	0.7
93.03914	0.1
96.02108	1.3
97.02917	0.2
106.00562	0.1
106.88304	0.1
107.01304	0.8
109.02910	0.2
111.04440	1.3
117.43236	0.1
123.00851	0.1
123.04459	0.2
124.01558	0.6
125.02350	2.0
128.58682	0.1
137.02338	0.2
137.03413	0.1
139.03922	0.4
143.03387	1.7
147.04440	0.1
152.01077	0.5
153.01822	21.5
153.02911	1.5
153.05380	1.1
154.02176	0.2
157.04955	11.6
158.05272	0.1
159.04401	0.1
163.03877	0.1
167.03378	100.0
168.03717	1.0
168.65469	0.1
175.03922	0.1
191.03355	0.4
195.02867	0.2
195.06583	0.3
205.04974	0.1
209.04341	0.1
215.70428	0.1
219.06435	0.1
223.06041	0.1
233.04309	0.1
238.76511	0.1
243.02783	0.1
247.05931	0.1
251.05536	1.0
255.04910	0.2
260.03064	0.1
275.05499	1.0
293.06546	0.5
301.07043	0.3
305.02759	0.1
319.04095	0.3
332.66833	0.1
375.26675	0.1
403.06677	0.4
445.07138	0.1
463.08514	0.1
495.11813	0.1
615.09863	0.4
629.09674	0.2
647.10950	0.1
834.30243	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	820.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.5
60.40898	0.4
60.43340	0.3
68.99755	0.4
69.03369	4.1
70.57855	0.4
71.00745	0.4
71.01299	0.5
73.02869	0.9
79.01804	1.2
81.03416	4.0
83.01342	8.2
83.04887	0.3
85.02881	0.8
86.31452	0.4
86.57188	0.4
87.04420	0.6
88.94814	0.4
95.01281	0.6
96.64922	0.3
97.02898	2.0
99.04408	0.6
101.02280	0.5
107.01308	0.4
109.02875	4.8
111.00816	2.8
113.02335	0.8
115.05399	0.6
123.00806	1.7
125.02306	1.1
127.03925	4.3
139.00262	10.5
140.01006	0.5
141.01826	0.5
143.03354	1.4
145.04968	4.6
147.04375	1.0
153.01831	16.2
153.02965	0.9
157.01268	1.7
157.02628	0.7
158.98286	0.3
159.04288	0.4
163.03871	0.7
166.99760	0.8
168.00529	0.5
169.00034	0.5
169.01334	5.3
171.04399	3.7
173.02267	0.5
175.03830	0.6
176.04639	0.6
177.01768	1.4
177.05269	0.5
185.00822	11.4
185.02411	0.4
186.01521	2.2
186.03012	0.7
187.02455	0.6
187.03816	2.4
189.01778	1.1
191.03317	1.3
195.02783	0.4
199.03885	4.3
201.01782	1.0
202.02547	0.3
203.03392	2.4
204.04216	2.0
205.01292	1.7
206.01344	0.3
213.01799	1.8
213.05399	1.1
214.02492	1.0
215.03387	6.7
217.01300	0.8
218.02174	0.5
219.02831	1.8
223.03912	1.1
229.01198	1.9
230.01984	0.5
231.02873	7.4
232.03551	1.4
233.04504	0.7
241.01184	1.0
241.04868	1.2
242.02115	0.5
243.02876	7.8
245.00798	0.9
246.01544	1.0
247.02356	3.2
248.03090	0.4
251.03304	1.0
253.04962	0.7
255.02826	0.7
257.00723	2.1
257.04251	0.6
259.02393	11.3
260.00320	0.6
260.03162	17.6
261.03946	43.9
262.04184	0.6
267.02798	1.4
269.04425	2.8
271.02490	0.4
273.00330	2.2
273.03195	0.4
275.01825	5.3
276.02716	2.0
277.03400	1.1
279.02826	1.3
281.04419	1.0
283.02307	0.6
285.00473	0.7
285.03836	1.5
286.01144	3.5
287.01886	9.6
287.05115	0.6
291.01273	1.1
295.02301	1.2
296.03180	0.5
297.03900	5.0
299.01657	0.6
300.02774	0.4
300.99924	2.2
301.03113	0.6
302.00568	1.8
303.01309	2.9
305.00607	0.7
307.02435	1.7
309.03714	0.5
312.99643	1.9
313.03366	3.0
314.04074	0.8
315.04883	0.8
323.01804	2.9
324.02740	0.6
325.03394	4.8
328.99237	2.8
329.02759	0.8
331.00702	0.4
335.01749	1.3
337.03351	1.6
339.01193	0.6
341.02896	2.5
342.03473	1.1
343.04303	2.6
345.95145	0.4
351.01379	2.5
352.02118	0.7
353.02936	7.4
354.03415	0.5
363.01187	1.0
365.02982	0.5
369.02438	4.2
370.03256	1.2
371.03897	2.9
379.00821	5.1
380.01587	1.4
381.02386	10.4
382.03018	0.5
383.00201	0.5
397.01898	5.9
398.02490	1.1
399.03470	1.5
407.00247	7.1
408.01001	0.9
409.01917	3.6
411.03735	0.5
425.01489	2.1
426.02277	2.4
427.02969	100.0
428.03217	1.9
434.99814	4.3
444.03259	9.5
445.04022	26.3
446.04239	0.7
453.00876	86.2
454.01227	2.5
471.01959	44.5
472.02286	1.4
489.03299	0.9
513.02594	0.4
525.06488	0.4
535.04913	0.8
553.05908	1.3
562.48547	0.5
579.03650	0.9
597.05139	10.2
615.06134	49.5
616.06219	1.6
633.07135	2.8
646.94189	0.4
767.07996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
57.80893	0.5
58.45079	0.5
69.03433	3.2
71.01357	0.7
71.04984	1.0
73.02909	0.7
79.01858	1.4
81.03421	4.8
83.01334	2.5
85.02908	5.0
91.05452	0.7
97.02892	4.4
97.71279	0.6
98.97684	0.6
99.04472	1.4
103.05452	0.7
107.01321	0.7
109.02882	3.6
111.00754	0.7
123.00720	0.9
125.02341	0.9
127.03907	6.7
134.19653	0.6
139.00235	3.3
143.03355	2.2
145.05006	3.1
145.10468	0.6
147.04370	0.9
151.70630	0.7
153.01830	39.3
153.02893	1.8
157.02834	0.8
159.04324	0.8
163.03914	2.4
166.99806	0.6
169.01346	1.5
171.02899	3.6
171.04297	1.2
175.03931	1.4
177.01787	0.6
185.00826	3.9
185.02312	1.2
187.03874	4.7
191.03294	1.0
199.03877	1.2
201.01801	1.1
203.03343	3.7
213.01927	3.7
215.03337	5.5
219.02924	1.2
229.01332	2.2
231.02896	16.9
232.03439	0.7
241.01373	3.5
241.05019	0.9
243.02870	1.5
247.02380	2.4
257.00833	3.0
259.02386	34.3
260.03116	6.5
261.03964	15.8
269.04541	0.8
275.01886	4.4
276.02603	2.3
277.03430	100.0
278.03778	2.0
285.00296	2.2
287.01913	2.2
297.03802	1.6
300.99976	0.8
303.01349	39.8
304.01636	1.2
313.03253	0.9
315.07251	3.8
321.02533	3.0
323.01871	1.2
325.03580	1.2
328.99118	1.6
343.04483	0.9
351.01273	0.8
353.02963	1.7
369.02634	0.9
371.04010	1.1
379.00571	1.3
381.02496	3.3
394.99188	1.3
397.02252	1.3
399.03580	1.1
407.00131	2.9
409.01874	0.8
418.45438	0.6
427.02994	33.5
428.03198	1.2
434.99902	1.9
444.02942	0.9
445.04019	16.4
453.00903	27.4
465.06796	5.9
471.01935	15.5
483.07953	1.1
489.03326	0.9
597.04626	1.8
615.06177	6.6
633.06720	1.5
704.46429	0.6
767.06665	0.7
785.07904	2.4
845.49969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.03132	0.4
59.68970	0.5
65.03941	1.5
67.05507	18.7
67.05867	0.9
69.03459	0.6
69.06707	1.0
69.07072	19.3
71.05006	1.4
77.03943	0.6
79.05497	15.9
80.70686	0.4
80.83679	0.4
81.03417	4.3
81.07060	28.8
83.04986	4.3
83.08630	3.1
85.06549	0.4
91.05482	30.2
93.07050	15.6
95.01340	6.3
95.04967	6.7
95.08611	16.1
97.06535	38.2
97.10167	1.8
98.06898	0.5
98.23505	1.2
99.08112	1.0
103.05533	0.9
105.04535	1.2
105.07033	43.7
107.04958	10.2
107.08594	8.7
109.06494	2.6
109.10171	5.3
111.04459	0.7
111.08089	1.9
111.09058	0.4
117.07017	7.7
119.08589	21.8
121.06522	2.4
121.10147	4.6
123.04437	1.8
123.08094	2.2
123.11706	1.2
125.09631	1.9
129.07007	1.6
131.04898	0.6
131.07607	0.4
131.08565	11.9
133.06549	1.0
133.10130	26.0
135.08089	2.4
135.11711	5.2
137.09636	1.7
139.07556	2.3
141.07033	0.8
143.08578	2.2
145.06485	1.7
145.10136	9.8
147.08080	0.8
147.11694	11.9
149.09628	5.6
149.13251	2.6
151.11180	1.8
155.08620	0.7
157.10170	1.7
159.08157	0.7
159.11705	7.4
161.09639	0.8
161.13286	2.8
163.11188	3.8
165.09158	2.3
169.10126	1.0
171.11641	1.0
173.13289	2.2
175.11148	0.8
175.14853	0.8
177.12723	2.7
179.14305	11.5
183.11673	1.1
184.07356	1.0
185.13289	0.6
187.11243	2.3
197.13333	1.2
203.14467	0.6
205.12158	0.8
215.18013	0.7
219.13876	0.7
229.19589	1.1
239.18065	0.9
247.20679	2.0
257.19012	3.3
275.20065	60.3
276.20471	1.6
279.15942	0.8
284.90799	0.5
293.21127	3.8
331.22546	0.7
332.07150	0.5
349.23749	41.1
350.24054	0.5
445.29514	0.5
527.37463	0.7
623.43054	100.0
624.43408	6.1
641.43921	2.5
716.47968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	0.5
57.03441	5.3
57.07076	0.8
59.78607	0.2
61.02929	3.2
65.03931	0.8
65.47758	0.2
67.05507	27.6
68.05839	0.3
69.03425	0.8
69.07072	9.8
69.74402	0.2
71.01355	0.5
71.04993	2.2
71.08618	0.3
72.24771	0.2
73.02916	1.4
77.03903	0.3
79.05497	15.5
81.03419	2.0
81.07058	36.9
82.07389	0.2
83.04982	3.3
83.08620	7.5
85.02903	4.3
85.06548	2.2
91.03954	2.3
91.05481	8.5
93.07047	27.9
94.07323	0.3
95.04973	3.1
95.08611	9.9
97.02324	0.3
97.02894	2.4
97.06532	6.4
97.10183	0.9
99.04443	0.4
99.08096	1.6
103.04018	0.2
105.04523	0.8
105.07038	3.4
107.04970	0.3
107.08597	15.6
107.72187	0.2
109.02889	0.2
109.06518	1.6
109.10166	1.8
111.04489	0.2
111.08087	4.0
111.11710	0.3
113.06014	0.7
113.09650	0.6
115.05475	0.3
117.07023	4.5
119.06094	0.2
119.08568	1.4
121.06504	0.9
121.10146	10.2
123.08028	0.5
123.11716	1.2
125.09628	0.7
127.03925	0.7
127.07601	0.3
129.07011	0.3
131.08566	4.3
133.10139	4.5
135.08087	1.1
135.11691	3.8
139.07571	0.3
139.11208	1.0
145.04936	0.7
145.10080	0.3
147.11707	0.7
149.09612	0.8
149.13261	18.7
151.11191	0.4
157.10176	0.4
159.11703	6.9
163.06030	0.8
165.12801	0.5
167.14323	0.4
177.12727	3.4
193.12184	0.4
195.13803	5.2
209.11577	0.3
213.14873	0.6
227.12807	0.2
229.14293	0.4
251.16302	0.3
260.63406	0.2
267.15909	0.6
269.17477	42.1
270.17795	0.7
275.20065	0.2
285.16934	0.2
299.14731	0.3
349.23688	0.3
357.24460	0.2
445.29401	0.5
463.30542	100.0
464.30832	3.6
477.28336	0.2
573.33704	0.3
575.35577	0.3
607.34698	1.2
751.59131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.3
57.07070	0.7
61.02929	5.7
65.03935	0.8
67.05505	26.3
69.03421	1.2
69.06714	0.5
69.07070	8.3
71.04993	2.2
73.02919	2.2
77.03913	0.8
79.05491	16.0
81.03421	7.0
81.07055	33.9
83.04967	2.8
83.08620	7.2
85.02902	6.2
85.06539	1.9
91.03952	3.7
91.05473	11.9
93.07043	23.9
95.04963	4.3
95.08604	10.2
96.04466	0.4
97.02884	2.6
97.06524	5.2
97.10177	2.6
98.23531	0.8
99.04436	0.6
99.08077	1.9
103.05487	0.5
105.04511	1.1
105.07023	6.7
107.04959	1.3
107.08591	14.2
109.06522	1.8
109.10155	2.9
111.04457	0.7
111.08060	3.3
111.11742	0.5
113.06007	0.6
115.03887	0.4
115.05376	0.5
116.40852	0.4
117.07010	5.8
119.04872	0.4
119.08556	3.2
121.06517	1.3
121.10150	8.2
123.08051	1.4
123.11699	1.9
125.09614	2.1
127.03935	1.2
129.06979	1.8
131.08560	6.5
133.10118	7.9
134.72348	0.4
135.08063	1.6
135.11687	5.3
137.09636	1.3
142.07777	0.5
143.08556	1.7
145.04973	1.1
145.06436	0.4
145.10136	2.3
147.08067	0.6
147.11647	1.8
149.09579	0.9
149.13257	11.6
151.11179	0.9
155.08562	1.0
157.10115	2.8
159.11687	6.1
161.09546	0.6
163.06006	1.6
163.11201	0.5
165.09012	0.5
169.10146	0.9
171.11734	0.8
173.09460	0.5
173.13269	0.5
175.11217	0.8
177.12753	2.6
181.10031	0.8
183.11661	0.5
185.13300	0.4
189.11261	0.9
193.12238	1.6
195.13766	5.3
209.13300	0.7
211.13219	0.5
223.13123	0.4
227.12733	1.9
247.16888	0.5
251.16426	1.4
267.09323	0.5
267.15900	3.8
269.17459	20.5
273.18521	1.3
291.19580	1.0
325.25488	0.5
327.07364	0.4
336.64435	0.4
343.26297	0.6
347.22015	0.5
353.24713	1.4
365.23328	0.9
371.25809	1.2
377.26892	0.5
389.27328	0.5
413.21613	0.7
417.30084	0.6
427.28452	0.6
437.24936	0.5
445.29535	13.3
446.29868	0.5
454.47369	0.4
459.27313	1.0
461.28604	0.8
463.30524	100.0
464.30859	2.9
465.30029	0.4
477.28287	0.7
481.31415	0.9
487.30817	0.6
539.33716	1.0
557.34857	3.3
563.02698	0.4
575.36066	2.0
583.39215	0.4
589.33356	0.8
607.34735	7.3
608.34711	0.5
722.31549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.9
57.07067	0.8
59.04997	0.6
61.02927	3.6
65.03940	0.9
67.05504	27.0
69.03425	1.2
69.07069	9.0
71.01345	0.7
71.04989	2.1
73.02914	1.4
77.03918	0.6
79.05492	15.9
81.03426	2.4
81.07056	34.9
83.04986	3.1
83.08618	7.7
85.02905	4.3
85.06525	1.7
87.04485	0.3
88.52992	0.2
88.98269	0.2
91.03960	2.7
91.05036	0.2
91.05477	8.9
93.07041	25.1
95.04494	0.3
95.04986	3.1
95.08604	8.5
96.04531	0.3
97.02892	2.6
97.06528	5.3
97.10168	1.2
99.04458	0.5
99.08103	1.6
99.76212	0.3
105.04520	0.6
105.07029	3.8
107.04958	0.6
107.08592	15.2
109.02891	0.3
109.06516	1.0
109.10147	2.6
111.04518	0.2
111.08079	3.8
113.06023	0.5
113.09650	0.3
115.05525	0.3
117.07021	5.1
119.08579	1.2
121.06522	1.2
121.10136	8.2
123.08086	0.5
123.11715	1.7
125.09646	0.8
127.03941	1.3
131.08562	4.9
133.10121	5.8
135.08087	0.9
135.11674	4.8
139.07611	0.3
139.11185	0.8
140.50134	0.3
145.04956	1.0
145.10097	0.6
147.11746	0.8
149.09604	0.5
149.13252	12.9
151.11188	1.0
159.11688	6.2
161.13179	0.3
163.06047	1.1
165.12857	0.3
167.14307	0.3
173.11710	0.5
177.12714	3.0
189.85066	0.3
195.13806	5.7
200.54530	0.3
213.14911	0.8
227.12802	0.8
229.14369	0.8
251.16437	1.1
267.15997	0.9
269.17465	30.3
270.17874	0.5
275.20157	0.4
349.23672	0.5
368.49792	0.3
377.76846	0.3
413.21643	0.6
421.25970	0.4
445.29507	0.7
463.30521	100.0
464.30966	3.3
503.33521	0.5
607.34698	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	822.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	27.6
57.07071	4.4
60.85497	3.8
61.02921	8.0
67.05505	85.9
69.03426	14.8
69.07066	47.0
70.30744	7.4
71.04996	23.6
79.05492	80.8
81.03421	100.0
81.07059	86.3
83.04981	18.0
83.08620	34.0
85.02907	14.4
85.06553	6.9
91.05480	64.6
93.07050	61.1
95.04968	43.4
95.08630	34.2
95.77856	3.7
97.02898	8.1
97.06529	71.4
97.10172	14.7
99.08132	4.2
102.56577	3.8
105.04547	4.6
105.07030	53.3
107.04958	18.4
107.08588	41.4
109.02860	5.2
109.06516	21.8
109.10114	19.0
111.04433	3.9
111.08070	16.1
115.05458	5.1
115.07571	21.7
117.07025	29.3
119.08575	38.5
121.06483	10.6
121.10128	27.6
123.08068	11.3
125.09635	11.2
127.03859	4.4
128.06206	5.3
129.07028	24.3
131.08559	36.2
133.06482	9.6
133.10127	25.3
135.08070	16.7
135.11685	9.6
137.09642	9.1
141.06999	7.6
142.07762	3.4
143.08575	12.6
145.06476	5.7
145.10135	18.8
147.08058	13.0
147.11687	15.4
149.09604	19.0
149.13264	16.7
151.11209	5.6
155.08603	7.9
157.10149	19.9
159.07983	5.2
159.11682	15.3
161.09622	7.7
161.13271	3.7
161.96690	3.5
163.11209	8.2
165.09164	7.2
169.10161	5.6
171.11665	7.4
173.04485	5.3
173.09721	4.0
175.11201	10.5
177.12772	6.8
185.13266	4.2
187.11163	3.9
189.11197	6.2
193.12201	24.6
195.13812	4.6
199.14742	4.5
203.14220	3.7
217.15843	8.3
227.12727	8.0
229.14304	6.3
267.15897	71.7
269.17477	24.5
273.18600	26.5
291.19446	12.7
341.29825	3.9
347.22003	10.3
361.41895	4.2
365.23343	10.1
383.24176	6.3
435.27106	5.8
443.27905	8.0
445.29431	15.0
447.27948	11.7
461.28998	39.4
463.30682	50.0
465.29922	7.1
483.31467	4.8
487.30649	7.5
493.31821	8.6
539.33728	23.4
557.34698	46.2
575.36066	23.9
589.36975	9.5
607.34961	5.2
719.38672	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	822.484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.0
57.07076	2.3
59.04995	4.5
61.02920	4.0
65.03935	4.0
67.05507	100.0
69.03426	5.2
69.07069	11.9
71.01349	1.5
71.04636	1.9
71.04996	24.5
73.02923	2.4
76.56824	1.1
79.05497	29.3
81.03427	10.3
81.07061	77.7
83.04990	10.3
83.08621	14.8
85.02911	10.0
85.06551	9.9
86.83418	1.3
87.04440	3.5
91.05482	27.3
93.07046	20.0
95.05004	7.8
95.08610	15.2
97.02887	4.7
97.06548	6.2
97.10173	12.2
99.04461	1.3
104.69878	1.1
105.07035	12.4
107.04932	3.4
107.08596	17.6
109.06510	4.0
109.10164	56.1
111.04460	1.7
111.08105	5.9
117.07005	3.7
119.08580	8.9
121.06505	1.9
121.10150	4.7
123.11717	11.3
125.09625	11.6
126.20738	1.2
127.03948	1.5
129.05490	2.4
129.06979	2.1
131.08557	5.6
133.10141	15.5
135.08084	2.5
135.11690	5.4
137.09579	2.8
143.10764	1.3
145.10106	2.3
147.08009	1.4
149.09645	3.0
149.13277	4.4
151.11183	5.5
153.12675	2.3
155.10641	3.4
159.11678	3.7
163.11217	5.8
165.12663	1.2
169.12256	2.0
173.09596	1.7
173.10199	1.1
173.11772	14.4
177.12799	1.3
179.82622	1.2
183.13719	2.1
184.07343	2.8
187.13275	5.4
187.38492	1.5
189.11272	1.7
191.10742	3.0
193.12207	1.8
195.13872	2.3
199.13354	4.6
201.14784	1.5
209.11729	5.5
211.13199	1.3
225.14732	1.9
227.12805	4.5
229.12177	2.4
229.14360	27.5
243.15854	2.6
257.13889	1.9
257.17459	2.8
267.15833	1.8
269.17529	5.6
283.15408	2.9
293.02203	1.4
297.16928	1.8
301.16519	4.9
301.20096	19.2
334.06796	1.5
335.25824	1.4
367.24680	4.2
373.18436	3.4
383.24060	1.8
397.25879	34.2
399.23816	8.8
411.27359	3.3
423.27151	5.2
425.28778	1.6
435.27542	2.3
451.26590	3.9
455.30164	10.3
469.27945	11.9
527.27832	2.9
567.35284	37.5
593.36987	6.5
625.39465	48.6
626.39392	2.0
764.42188	1.7
822.44434	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
57.07067	1.5
59.05001	0.7
64.13922	0.5
65.03933	3.3
65.59683	0.5
67.05505	40.9
69.03416	1.0
69.07069	28.0
71.04996	2.2
71.08606	0.6
71.20023	0.6
75.91706	0.6
77.03889	1.2
79.05494	41.7
81.03418	6.7
81.07058	51.8
83.04973	5.9
83.08616	8.0
85.06540	2.4
91.05480	66.5
93.07043	42.7
94.34064	0.5
95.01324	6.3
95.04969	10.9
95.08608	36.4
96.08908	0.6
97.06532	17.1
97.10161	2.6
99.08096	2.5
103.05449	2.4
105.04542	2.7
105.07030	87.4
107.04955	13.8
107.08593	24.0
107.09332	0.5
107.94708	0.5
109.06520	4.3
109.10152	8.3
111.04498	1.0
111.08075	2.3
113.09689	1.1
115.05438	2.2
117.07018	19.1
119.08582	51.1
121.06484	2.6
121.10143	13.2
123.04454	1.4
123.08080	3.0
123.11706	2.3
125.09599	1.9
128.06226	2.4
129.06987	5.9
130.07767	1.4
130.87387	0.6
131.08565	27.4
132.08897	0.7
133.06500	1.6
133.10130	46.5
135.08076	3.1
135.11694	10.5
137.09605	1.6
139.07526	1.2
139.11108	0.7
141.07005	1.8
142.07808	1.5
143.08559	7.1
145.06470	2.0
145.08972	1.0
145.10120	18.3
147.08070	0.9
147.11685	24.2
148.12088	0.6
149.09615	5.0
149.13260	6.2
151.11209	1.9
151.23987	0.7
155.08533	2.8
157.10146	5.5
159.11697	15.8
161.09673	1.3
161.13242	13.9
163.11163	4.3
163.14809	1.4
165.09114	2.0
165.12672	0.8
168.09291	0.6
169.10135	2.8
171.11684	7.1
173.13257	6.2
175.11147	1.3
175.14844	6.3
177.12770	3.2
179.14328	10.9
181.10107	0.7
183.11658	2.8
185.13263	3.9
187.11198	1.9
187.14810	0.9
189.12724	0.8
193.12279	0.7
195.13808	0.9
197.13293	1.8
199.14795	2.9
201.12788	0.9
205.12320	0.9
209.13322	0.8
211.14809	0.9
213.16432	1.4
215.14392	0.6
215.17952	1.2
217.19589	1.7
219.13785	1.0
219.17403	1.0
229.19513	1.4
231.21078	1.8
239.17917	2.1
241.14394	0.8
241.19495	15.3
247.16905	0.9
247.20464	1.4
257.18988	6.9
259.20587	23.9
273.18597	1.5
275.20059	61.4
276.20282	1.4
277.21649	2.3
279.15948	1.3
293.21127	2.7
313.21658	0.9
315.23151	11.2
325.83011	0.6
331.22668	0.9
333.24225	48.4
334.24689	0.9
349.23721	49.8
350.23965	1.3
351.25217	1.8
437.34152	0.9
483.34811	0.7
511.37970	0.7
513.35596	2.1
515.38617	1.3
533.39862	1.6
551.40955	1.5
555.36926	0.7
607.43524	100.0
608.43896	4.7
625.44617	14.1
625.54712	0.9
626.44531	1.0
715.46442	1.1
802.50043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.3
57.07071	3.5
61.02884	3.2
65.03951	4.1
67.05502	85.2
69.03431	4.1
69.07069	24.9
71.04986	5.3
73.45043	2.2
79.05489	59.9
81.03409	6.6
81.07053	75.6
83.04974	10.3
83.08612	10.1
85.02900	4.2
85.06535	6.4
86.09697	3.2
91.05038	1.3
91.05476	61.0
93.07041	65.9
95.04973	16.3
95.08607	38.0
97.06499	6.7
97.10163	5.2
101.92992	2.0
105.04559	3.1
105.07025	50.7
107.04952	8.0
107.08589	44.7
109.06519	10.1
109.10160	43.4
111.08048	4.2
117.07000	11.5
119.08588	19.5
121.06500	8.1
121.10104	13.3
123.08036	6.3
123.11700	8.8
125.09681	3.2
129.06990	4.9
131.08568	17.4
133.06482	5.1
133.09174	3.9
133.10124	52.3
135.08051	6.8
135.11697	11.3
137.09573	3.5
143.08495	5.6
145.10146	12.2
147.08067	4.4
147.11711	6.9
149.09612	7.3
149.13264	6.5
151.11174	26.6
154.71136	2.4
157.10052	2.4
159.08047	4.5
159.11694	8.1
161.09605	7.5
161.13243	4.5
163.11145	2.4
169.12209	4.3
171.11655	6.4
173.13219	3.4
175.11189	4.6
175.14783	3.0
184.07352	6.0
185.13263	2.5
215.12759	4.9
223.13239	4.1
227.12584	2.2
227.17889	2.5
243.20996	2.9
245.19064	6.4
250.78059	2.1
251.12648	2.5
253.14339	63.8
261.22110	7.6
263.20184	4.1
273.18475	29.1
291.19531	43.9
309.20706	2.8
317.24884	2.2
335.21762	3.2
335.25803	64.5
336.26025	2.2
347.22327	12.0
365.23169	47.2
405.27383	2.1
439.31766	3.1
513.35394	6.8
517.64984	2.4
531.36554	9.5
535.93896	2.9
551.30676	2.0
607.43097	8.3
625.44604	100.0
626.44934	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	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	13.1
58.77930	4.1
67.05162	5.8
67.05505	97.4
67.79368	4.2
69.03447	6.4
69.07079	26.6
69.14140	17.2
69.14572	12.9
69.43790	4.1
70.53947	4.1
71.05003	8.2
72.81123	4.0
79.05497	67.4
81.06625	7.1
81.07059	98.2
83.04977	14.4
83.08640	8.2
85.06541	8.5
89.98674	4.3
91.05479	71.9
93.07042	61.9
95.04971	19.2
95.08608	48.8
97.02881	4.4
97.06503	7.9
101.12843	4.0
103.05475	4.4
105.07034	56.0
107.07934	5.3
107.08594	56.9
109.06515	8.8
109.10157	56.9
117.07012	17.7
119.08598	26.6
121.06519	7.5
121.10148	23.4
123.08072	9.1
123.11674	7.6
129.06996	5.3
131.08557	16.0
133.06445	5.2
133.10124	66.7
135.08070	5.6
135.11668	16.0
143.08553	6.2
145.10112	14.2
147.11697	16.0
149.09680	5.8
149.13258	7.1
150.47339	4.4
151.11218	29.7
159.11693	8.5
161.09628	8.6
161.13228	5.9
173.13268	9.5
185.13289	5.8
227.17987	4.3
253.14340	100.0
259.20587	15.4
261.22150	13.9
273.18539	19.9
291.19489	25.8
333.24155	8.1
335.25812	67.0
347.22339	5.8
365.23248	39.3
513.35370	7.4
531.36682	11.2
551.40155	4.9
607.43506	9.7
611.46393	10.8
625.44666	66.7
809.58881	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.0
57.07063	2.1
57.38797	1.4
65.03915	2.0
67.05156	3.6
67.05507	56.1
69.03437	9.7
69.03758	1.6
69.07071	34.7
70.85242	2.4
70.85613	2.1
71.04995	3.2
77.03925	1.8
79.05499	46.2
81.03426	5.4
81.07056	48.2
83.04997	4.3
83.08614	10.3
85.06569	2.7
86.09717	2.0
91.05482	27.2
93.07046	38.5
93.07610	2.9
95.04966	11.6
95.08609	29.9
97.02913	10.1
97.06551	3.6
97.10162	13.0
99.08102	2.1
105.04548	2.9
105.07017	21.5
105.35479	1.5
107.04971	6.4
107.08582	21.4
109.06541	3.7
109.10158	13.5
117.07022	8.6
119.04979	2.3
119.08582	15.4
120.75216	1.7
121.06505	4.4
121.10160	10.9
123.08056	2.6
123.11707	2.5
125.09628	8.2
129.07050	2.8
131.08562	10.2
133.06502	4.3
133.10115	8.5
135.08090	5.0
135.11707	10.1
137.09659	1.8
137.75148	1.8
143.08595	2.3
145.10086	8.0
145.31700	1.7
147.08081	6.5
147.11707	6.1
149.09579	2.4
149.13303	5.3
150.69601	1.6
157.10147	3.5
159.11708	2.9
161.09686	3.8
161.13292	3.1
163.11143	1.7
165.09309	1.8
165.37642	1.5
173.11821	1.6
173.13365	2.1
175.11177	2.2
184.07375	7.1
189.11250	5.6
205.12428	2.2
218.29442	1.8
220.18199	1.8
223.13277	16.8
227.12766	3.8
243.21089	2.9
245.19003	2.0
249.14864	2.9
261.22137	8.9
267.15790	1.8
273.18448	15.7
291.19556	100.0
292.20096	1.8
317.24930	2.9
335.25806	74.6
347.25696	1.7
365.23227	61.2
366.23770	2.5
487.39291	2.2
545.38287	4.3
607.43701	3.9
625.44629	78.5
626.45020	3.0
765.60254	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	824.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.4
65.03930	1.2
67.05505	36.8
67.05864	2.0
69.03445	4.2
69.07061	10.4
71.01358	3.3
71.04971	4.8
73.02917	1.4
75.81853	0.8
76.45721	1.0
79.05492	32.5
81.03418	40.8
81.07058	24.1
83.04987	11.8
83.08626	13.6
85.02911	18.3
85.06540	3.6
91.03979	4.0
91.05479	25.1
91.06055	1.2
93.07044	38.5
95.04964	18.8
95.08598	8.5
97.02898	5.7
97.06527	9.0
97.07115	1.2
97.10177	9.7
99.04420	1.1
99.08106	2.0
105.04520	1.5
105.07024	13.1
107.04986	4.4
107.08596	25.8
109.06501	2.9
109.10149	4.1
111.04436	1.9
111.08101	6.9
113.06023	2.3
115.05409	0.9
117.07011	4.4
119.08584	12.2
121.06495	1.9
121.10148	10.0
123.08065	1.0
123.11753	1.0
125.05957	1.1
125.09613	2.4
127.03905	2.1
129.07008	5.6
131.08583	4.9
133.06512	2.5
133.10124	7.4
135.11697	34.3
137.09598	0.9
145.04951	2.1
145.10129	8.2
147.08034	1.6
147.11687	7.2
149.09637	4.0
157.10121	7.7
163.06013	1.3
163.11192	4.7
165.12738	1.7
169.30852	1.0
175.11198	7.7
181.12234	6.3
193.12233	23.9
209.11732	1.0
211.13280	24.1
227.12790	0.9
249.14873	1.3
255.15913	81.5
256.16254	1.1
264.64160	0.8
267.15891	21.0
285.13840	1.1
285.16962	18.6
301.16373	1.1
421.25751	2.4
429.26114	1.0
439.87747	1.0
447.27429	44.4
448.27573	2.3
465.28491	100.0
466.28717	3.6
473.21417	1.0
576.40710	1.1
609.32544	1.7
838.00110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05025	2.0
60.43284	1.6
61.02928	3.1
65.03940	2.3
67.05505	71.0
69.03432	6.2
69.07064	21.5
70.59057	1.5
70.78405	2.1
71.04996	8.7
79.05490	43.6
81.03416	82.4
81.07057	62.8
83.04987	9.6
83.08614	33.0
83.09093	1.9
84.13977	1.5
85.02912	4.9
85.06534	3.1
91.05476	41.2
93.07041	36.2
95.04967	31.1
95.05531	2.5
95.08606	27.1
97.02893	4.5
97.06536	14.1
97.10165	13.6
99.08061	3.4
103.05458	2.2
105.04507	2.2
105.07026	36.4
107.04967	14.1
107.08590	27.9
109.06512	10.3
109.10156	34.8
111.04417	2.3
111.08086	10.0
115.05461	2.5
117.07005	10.6
119.04958	1.8
119.08574	30.5
121.06528	6.8
121.10144	20.3
123.04468	1.9
123.08067	6.4
123.11728	3.8
125.06026	1.3
125.09634	14.0
125.84994	1.4
129.07010	16.1
131.04953	1.5
131.08551	23.9
133.06503	4.8
133.10124	19.3
135.08060	5.2
135.11650	9.6
137.09637	6.2
141.07037	3.0
142.07776	3.3
143.08559	8.3
145.06508	4.2
145.10120	13.0
147.08040	6.3
147.11671	18.8
149.09601	11.6
149.13287	5.8
151.11186	3.0
153.09128	2.0
155.08545	4.5
155.10669	3.4
157.10117	18.5
159.08051	2.2
159.11697	9.8
161.09633	4.3
161.13283	3.6
163.11185	9.9
165.09103	2.3
165.12823	2.7
169.10133	2.8
171.11671	4.5
173.09572	1.6
173.11746	8.3
173.13321	5.3
175.11185	13.4
177.12764	2.6
181.10126	1.9
183.11752	4.1
185.13303	3.2
187.11197	4.3
187.14807	2.4
189.11353	3.5
193.12228	27.4
197.13289	5.0
199.14790	3.4
201.12778	1.5
204.05063	1.4
211.13330	5.0
213.12846	1.8
215.14299	2.6
217.15930	2.9
227.12793	7.9
229.14307	27.9
249.14650	1.7
255.16026	5.7
257.19092	3.1
267.15912	100.0
269.17548	11.2
275.20096	19.8
291.19534	1.6
293.21109	5.8
299.19928	2.4
313.21576	1.8
349.23782	19.2
351.23294	1.9
367.24789	19.8
367.29099	2.3
369.24301	4.2
403.24704	2.5
421.20407	2.9
421.25861	39.4
443.27939	11.1
447.27533	12.0
449.30258	2.0
459.26846	1.8
461.28976	71.8
462.29419	2.8
465.28674	10.5
467.31668	5.5
475.30560	4.4
477.28809	2.4
479.30069	2.4
485.32217	3.1
493.31625	33.6
501.32370	2.0
511.32687	2.5
523.34174	4.7
541.35260	65.6
542.35345	3.2
547.28772	2.3
559.36267	71.6
560.36688	1.9
573.37927	3.4
583.36346	3.5
587.31708	3.3
591.38904	4.0
601.36853	1.5
601.99561	1.6
832.63507	1.7
842.51935	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.4
61.02923	2.4
65.03926	3.6
67.05502	95.0
69.03439	9.4
69.07068	31.9
70.83991	2.4
71.04981	4.9
73.02917	2.0
77.03925	1.7
79.05492	65.7
80.57900	1.2
81.03413	11.1
81.07053	100.0
83.04988	8.5
83.08626	15.4
85.02898	5.2
85.06547	3.9
91.05481	47.2
91.71302	1.7
93.07042	81.8
95.04961	13.0
95.08604	59.9
97.02885	5.9
97.06518	13.8
97.10166	6.1
99.04427	1.8
99.08102	4.6
103.05434	1.6
105.04537	3.2
105.06339	2.7
105.07026	35.2
107.04974	6.4
107.08591	46.9
109.02909	1.4
109.06534	7.2
109.10155	23.0
111.04449	1.4
111.08068	6.0
117.07020	18.8
119.08581	28.2
121.06498	5.6
121.10135	34.6
123.08102	4.5
123.11703	9.3
125.09631	3.4
127.03908	5.2
129.05511	3.1
129.07004	4.8
130.07787	1.5
131.08562	26.6
133.10127	25.0
135.08037	3.8
135.11687	26.6
137.09610	3.7
137.13239	1.7
139.11182	2.1
143.08549	5.2
145.10118	20.1
147.11664	15.1
149.09621	10.7
149.13243	19.7
151.11200	2.8
153.12743	1.6
157.10117	5.7
159.11711	18.9
159.91420	1.9
161.09589	2.3
161.13239	7.7
163.11150	7.9
163.14833	2.9
165.12720	2.5
169.10165	3.0
171.11700	5.3
173.04472	2.9
173.13242	8.8
175.11211	2.1
175.14856	1.8
177.12746	4.8
179.14345	2.6
181.12244	2.6
183.11702	2.7
184.07312	4.3
185.13222	2.9
187.11273	1.8
187.14812	4.6
195.13869	6.2
197.13351	1.6
199.14787	3.0
227.12848	2.5
229.14357	2.3
229.19440	1.9
239.17865	2.7
243.21043	3.4
247.20538	2.3
253.14215	1.7
255.15868	14.3
257.19006	5.3
259.20560	3.5
261.22110	14.7
267.15598	2.1
269.17459	41.1
275.20044	28.0
293.21039	1.8
317.24594	2.5
331.22690	2.5
333.24103	3.3
335.25772	95.2
336.25989	1.9
349.23688	23.1
351.25461	1.6
367.24631	4.8
413.21640	3.6
437.34058	1.7
515.37305	17.5
529.38861	87.0
530.38800	2.3
569.41913	3.5
609.45129	25.1
627.46234	8.0
673.43011	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	2.8
67.05505	100.0
69.03426	5.6
69.07068	34.4
69.48714	8.4
71.04986	4.9
71.80760	1.8
73.41745	1.8
79.05494	69.1
81.03405	2.8
81.07058	86.9
83.04979	9.4
83.08607	15.8
85.02895	4.9
85.06537	4.8
91.05482	64.7
93.07045	73.8
95.04977	14.3
95.08607	60.4
97.02892	3.8
97.06533	11.2
97.10166	12.6
99.08078	2.5
104.65799	1.9
105.04519	3.5
105.07034	53.4
105.07735	3.2
107.04971	4.0
107.08590	45.2
109.06540	4.8
109.10152	20.2
111.08067	4.6
117.07026	24.1
119.08582	33.7
121.06490	3.3
121.10156	30.5
122.03179	2.0
123.08082	3.9
123.11722	6.8
125.09641	8.1
127.03890	2.6
128.31509	2.2
129.07014	9.3
131.08574	31.6
133.10115	24.9
135.08095	3.2
135.11690	15.3
137.13255	2.5
141.07022	2.6
143.08549	9.1
145.10132	27.4
147.11700	21.2
149.09630	8.5
149.13245	10.2
155.08516	4.0
157.10095	8.0
159.11681	20.3
161.09633	3.2
161.13255	10.5
163.11192	5.6
169.10138	5.6
171.11655	10.7
173.11850	2.7
173.13269	9.4
175.11200	2.1
175.14877	3.6
177.12759	4.1
183.11659	5.6
185.13243	13.3
187.14865	3.3
189.11212	3.4
191.14230	2.1
195.13786	2.2
197.13190	2.7
199.15018	2.5
219.17442	2.6
227.12779	14.4
239.17978	7.6
255.15956	4.7
257.19080	16.9
259.20529	2.9
261.22174	9.2
269.17468	12.5
275.20059	35.7
297.18585	2.1
317.24768	2.3
331.59915	2.5
333.24142	5.5
335.25797	95.0
336.26154	3.3
349.23712	36.3
505.35522	2.1
515.37256	6.1
529.39050	11.3
562.74115	2.2
609.45135	54.7
610.45038	4.0
627.45697	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.0
65.03941	6.6
67.05504	93.6
69.03433	10.3
69.07066	29.5
69.07441	1.5
70.61858	1.2
70.62175	1.0
71.01332	0.9
71.04989	4.2
73.02902	2.5
77.03954	3.0
79.05492	68.7
80.05831	1.4
81.03430	9.8
81.07056	100.0
83.04987	11.2
83.08623	14.3
85.02915	5.7
85.06538	3.8
86.09709	1.6
91.05479	51.7
93.07046	80.1
95.04412	1.6
95.04971	18.0
95.08606	56.7
97.02872	6.2
97.06533	11.7
97.10177	6.5
99.04446	2.2
99.08092	3.3
103.05461	1.4
105.04511	5.8
105.07031	39.6
107.04960	6.4
107.08594	41.0
109.02870	1.8
109.06525	5.8
109.10155	21.8
111.04459	1.3
111.08094	3.9
111.11703	1.3
115.05462	1.0
117.07012	18.8
119.06145	1.0
119.08579	28.5
121.06512	4.2
121.10152	26.2
123.08056	3.1
123.11691	6.8
125.00062	1.4
125.09643	2.9
127.03912	3.0
128.06200	1.6
129.05493	2.9
129.06999	6.1
130.07697	1.4
131.08571	24.2
133.06508	1.4
133.10127	23.3
134.03819	0.9
135.08061	2.8
135.11694	18.1
137.09633	2.9
137.13239	1.6
139.11235	1.6
141.07024	1.7
142.07729	1.0
143.08540	5.8
145.10132	20.2
145.11223	1.7
147.11679	12.5
149.09605	8.4
149.13252	12.0
151.11179	1.8
155.08539	1.8
157.10092	4.8
158.34488	0.8
159.11703	15.7
161.09717	0.9
161.13251	6.6
163.11191	5.7
163.14828	2.2
165.12727	1.2
169.10161	2.0
171.11667	4.2
173.04503	2.8
173.13271	9.7
175.11223	1.3
175.14882	2.7
177.12764	3.3
179.14368	2.3
183.11702	2.6
184.07339	7.1
185.13275	2.8
187.11235	0.9
187.14845	3.2
189.11148	1.4
189.16409	1.1
191.14299	1.1
195.13788	4.3
197.13179	1.5
199.14789	1.7
201.12538	0.9
201.16377	1.8
211.14760	1.1
217.15916	1.1
223.14917	0.9
227.12738	2.3
229.14299	2.3
229.19417	1.8
231.17462	1.3
239.17924	2.1
241.19495	1.0
243.21126	2.7
247.20653	1.4
255.15897	6.3
257.19046	6.4
259.20593	1.8
261.22128	10.3
267.15964	1.0
269.17468	22.1
275.20087	22.1
277.21524	1.3
291.19400	1.1
293.21198	2.8
299.23425	1.0
313.21365	1.0
317.24500	1.8
331.22635	1.9
333.24170	1.1
335.25803	81.5
336.26144	1.1
349.23703	18.0
367.24915	3.4
413.21823	1.7
515.37305	15.1
529.38867	46.9
543.41260	1.0
569.42047	5.2
609.45190	25.3
627.45978	5.7
673.42755	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.0
67.05507	72.3
69.03427	9.7
69.07069	31.9
69.35198	13.2
71.04985	7.0
77.03912	3.5
79.05495	83.5
81.03401	8.6
81.07056	60.5
83.04997	5.0
83.08622	28.1
91.05486	47.4
91.15784	3.1
93.07047	69.3
95.04974	12.5
95.08607	45.0
97.06513	9.6
97.10154	33.3
105.04573	4.1
105.07034	48.6
107.04939	5.4
107.08595	63.8
109.06518	4.7
109.10165	20.5
117.07024	10.7
119.08575	25.0
121.10167	16.8
123.08166	3.1
123.11739	6.6
125.09643	27.8
129.07059	4.1
130.07745	3.5
131.08582	16.7
133.10118	23.8
135.08096	4.3
135.11708	10.8
143.08499	4.9
145.10115	22.3
147.11722	14.6
149.09639	6.2
149.13254	6.7
153.09096	4.2
159.11705	14.4
161.13283	9.4
163.11105	5.0
173.13272	6.7
175.14888	3.9
180.38994	3.2
184.07449	5.4
189.11243	18.1
227.12787	42.4
245.14024	3.6
257.19034	10.8
259.20532	6.8
261.22134	14.8
275.20050	36.7
317.24643	6.5
331.22620	6.9
333.24222	9.1
335.25830	94.4
349.23792	51.2
351.25107	3.1
389.17596	3.9
505.35251	31.0
609.45178	100.0
610.45496	6.5
627.45734	22.0
649.39404	4.7
667.25714	3.6
851.18634	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.9
61.96651	1.0
65.03943	3.0
65.25917	0.8
67.05506	39.8
69.03427	1.9
69.07067	15.1
71.04967	1.6
73.02905	1.5
77.03924	1.5
79.05040	2.1
79.05495	38.7
81.03418	1.6
81.07063	35.2
83.04990	2.1
83.08632	8.0
85.02899	1.7
85.06532	2.1
91.03957	1.2
91.05484	42.5
93.07050	41.8
95.04964	6.8
95.08605	28.9
95.09214	1.4
97.02898	2.1
97.06537	2.9
97.10156	2.9
98.23452	2.1
99.04420	1.0
101.12861	1.0
103.05459	2.0
105.04524	2.8
105.07032	40.8
107.04971	1.6
107.08593	18.8
109.06508	2.7
109.10155	11.8
111.08071	1.9
115.05475	1.8
116.06248	1.1
117.07017	19.3
119.08582	34.1
119.09885	1.5
121.10151	16.2
123.08047	1.4
123.11708	3.1
128.06226	3.5
129.06998	12.2
130.07780	2.9
131.08566	25.6
133.10127	18.9
135.08012	1.5
135.11691	7.6
137.09637	1.2
141.06973	4.7
142.07750	3.3
143.08565	14.5
144.09381	1.5
145.06456	1.6
145.10121	21.7
147.11678	12.1
149.09621	1.2
149.13239	6.0
153.07047	1.7
154.07820	1.2
155.08568	8.9
156.09286	1.8
157.10143	15.8
159.11699	15.1
161.13245	8.2
163.11191	1.3
163.14789	1.9
165.07002	1.1
165.68625	1.1
167.08572	4.2
169.10129	10.4
170.11011	1.0
171.11684	13.1
173.13297	8.2
175.14821	3.6
179.08606	1.4
180.09412	1.6
181.10141	5.9
182.10907	1.6
183.11693	8.8
184.07390	1.5
185.13290	8.0
187.14803	5.0
189.16388	2.6
193.10233	1.4
195.11687	6.2
197.13261	7.4
199.14810	5.2
201.12669	1.3
201.16339	1.9
203.17935	1.7
207.11647	2.5
209.13307	4.4
211.14807	5.3
213.16377	3.4
218.31415	1.0
221.13301	2.0
221.37724	1.0
223.14865	4.6
225.16411	3.7
227.17981	2.8
233.13315	1.0
233.18927	1.5
235.14894	1.2
237.16382	2.4
239.17952	4.0
241.19748	2.2
247.14961	1.3
251.18031	1.2
255.19521	1.2
257.18967	4.1
259.20624	4.7
275.20090	1.5
277.19589	1.1
283.20453	1.8
297.21893	1.2
299.23477	1.3
311.23682	1.4
313.21680	1.8
315.23224	1.1
325.25290	1.0
331.22861	1.8
333.24542	4.8
335.26089	2.2
339.23199	1.1
349.24658	1.4
351.26538	2.8
353.24405	1.2
365.28525	1.3
369.27957	1.2
395.29391	2.0
407.28711	1.6
435.32083	1.4
447.17130	1.1
447.32166	1.5
461.33698	1.2
475.35028	1.1
483.34583	1.2
487.34387	1.4
501.35486	2.7
515.37305	2.7
517.40289	11.4
521.36090	1.3
527.37341	2.0
535.41449	6.3
539.37250	2.8
591.44049	10.5
609.45129	100.0
610.45166	4.4
651.44629	1.2
699.45618	1.3
753.48578	1.6
771.49884	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.0
65.03948	3.8
67.05161	5.2
67.05506	93.6
69.03439	7.9
69.06760	3.4
69.07072	35.0
71.05009	4.8
79.05496	100.0
81.03430	3.2
81.07057	71.9
83.04973	9.2
83.08623	31.5
83.09067	4.2
85.06553	6.1
91.04942	4.3
91.05478	56.1
92.51665	3.2
93.07050	69.8
95.04962	9.2
95.08607	42.9
97.02924	4.0
97.06525	9.2
97.10174	53.1
105.04512	6.1
105.07027	54.7
107.04962	8.3
107.08595	88.6
109.06503	5.5
109.10162	31.4
111.08031	4.1
117.07005	13.7
117.54416	3.3
119.08578	24.8
121.10154	20.7
123.11743	6.1
125.09634	39.6
127.03922	3.4
129.07004	5.0
131.08601	22.4
133.10139	24.6
135.08142	5.9
135.11693	14.6
143.08554	6.5
145.10117	26.3
147.11678	19.3
149.09633	10.2
149.13229	10.8
155.71140	3.6
157.10147	4.6
159.11700	12.8
161.13269	6.9
163.14958	3.8
169.10118	5.0
171.10129	3.0
171.11668	4.7
173.13255	7.5
179.14377	3.3
183.11746	4.6
187.14702	4.7
189.11197	20.7
202.23834	3.0
227.12769	83.3
257.19043	13.7
259.20541	5.4
261.22156	13.4
275.20084	61.5
277.21649	4.7
331.22778	9.6
333.24222	9.1
335.25809	96.3
349.23709	68.2
351.25696	4.1
389.18121	4.3
505.35300	9.9
609.45142	99.2
619.39636	3.3
627.46405	26.6
691.00531	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	825.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.1
65.03957	0.3
67.05508	4.1
69.03429	2.1
69.07068	5.0
71.01355	0.3
71.04990	0.3
73.02923	2.4
77.32600	0.2
79.05492	3.2
81.03418	2.0
81.07057	3.9
83.04990	0.7
83.08643	0.8
85.02900	2.8
91.03957	1.7
91.05478	4.1
93.07043	3.1
95.01350	1.1
95.04987	1.1
95.08610	3.7
97.02885	2.5
97.06538	1.3
97.10154	0.5
98.22708	0.7
99.04460	0.3
101.02399	1.0
105.04552	0.4
105.07032	5.7
105.07732	0.3
107.04949	2.0
107.08585	1.5
109.02881	0.5
109.10185	1.1
113.09689	0.3
117.07015	1.6
118.32721	0.2
119.08585	3.1
121.06501	0.5
121.10158	0.7
123.08082	0.3
127.03944	0.6
127.26198	0.2
128.75443	0.2
129.07025	0.3
131.08553	1.7
133.10112	3.0
135.07025	0.3
135.08089	0.3
135.11731	1.2
145.06508	0.5
145.10098	1.4
147.11674	1.1
149.09608	1.3
149.13266	0.5
159.11673	1.3
161.09726	0.2
161.13321	0.8
163.11183	0.5
171.68022	0.2
173.13263	0.5
179.14311	1.3
184.07339	0.7
185.04192	0.3
187.11250	0.4
203.05168	0.5
229.14511	0.4
229.17725	0.2
243.08386	3.2
243.10593	0.3
257.19116	0.2
275.20126	1.1
285.18481	0.6
313.27380	0.4
315.19324	6.1
371.21909	2.8
467.37555	0.5
533.27203	19.4
534.27979	0.7
583.64624	0.2
652.46979	0.3
825.47534	100.0
826.47876	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	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.3
60.08152	1.2
61.02924	9.3
65.03939	0.9
67.05504	54.6
68.05824	0.7
69.03418	1.6
69.07065	5.9
70.40327	0.6
71.04991	2.3
71.08268	1.2
71.08633	14.3
73.02908	3.3
75.82745	0.8
79.05482	3.0
81.06623	1.2
81.07059	15.0
83.08624	7.7
85.02900	11.5
85.06535	2.6
85.10175	7.9
86.09688	2.3
89.52467	0.7
91.03968	7.1
91.05488	5.0
93.07048	5.1
95.08607	13.5
97.02917	5.7
97.10143	1.8
103.07577	1.2
105.07013	1.8
107.08583	2.3
109.10155	52.3
111.08088	1.9
119.08591	4.0
121.10091	1.0
123.11711	2.6
124.99989	1.8
127.03897	2.5
131.08560	1.3
137.09604	2.9
145.04926	2.6
145.10168	1.2
155.10664	3.2
159.11688	1.0
163.05988	3.9
173.11720	14.2
184.07323	8.9
229.14339	100.0
230.14668	1.3
239.23715	1.7
257.24457	1.1
259.20578	0.9
271.57370	0.8
313.27362	72.8
314.27701	1.0
467.37305	58.2
468.37375	1.5
611.46759	5.1
782.15057	0.8
826.47821	10.6
827.48456	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	827.403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.7
64.18210	0.4
66.14101	0.4
67.05511	4.3
69.03426	3.0
69.07069	1.6
70.50036	0.8
71.04993	1.1
73.02917	4.0
79.05505	2.6
81.03430	2.1
81.07048	4.4
81.07442	0.5
83.08624	1.1
85.02905	6.6
91.03953	3.2
91.05464	2.2
93.07047	3.8
95.04964	0.7
95.08645	1.3
97.02905	6.5
98.23322	0.5
99.04481	1.1
101.02396	1.7
105.07026	0.5
107.08617	2.4
109.02936	0.9
109.06573	0.6
109.10184	0.6
109.89790	0.4
111.08118	0.5
115.04012	0.5
117.07050	0.6
121.10121	1.1
127.03914	2.4
129.05513	0.4
131.08565	1.1
133.10152	1.0
135.11726	0.9
145.04935	0.6
147.61809	0.4
149.13284	2.7
159.11787	0.8
177.12836	0.5
185.04234	1.0
195.13905	1.2
203.05531	0.5
235.12943	2.4
243.08476	1.8
269.17618	0.7
291.15671	0.8
301.09140	1.0
347.09503	2.6
365.10632	0.9
396.22107	0.5
405.13681	5.8
413.17819	0.9
453.20947	13.1
454.21658	0.6
615.26233	11.5
616.26416	0.9
665.34808	2.2
723.39209	5.6
724.40601	0.6
781.43634	0.9
794.09387	0.5
827.40509	100.0
828.40686	4.9
841.60236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.3
63.14870	0.3
67.05499	4.1
69.03428	3.2
69.07066	1.4
70.06580	0.5
71.01362	0.5
71.05003	0.9
73.02914	3.4
79.05495	3.0
81.03416	2.2
81.07057	5.8
81.07503	0.5
83.01344	0.3
83.04985	0.7
83.08625	1.1
85.02900	5.9
85.06552	0.5
87.04462	0.6
91.03955	3.7
91.05469	1.7
93.07037	3.5
95.04996	0.7
95.08601	1.7
97.02888	6.0
97.06547	0.8
99.04449	1.2
99.08092	0.3
101.02390	1.7
103.03909	0.4
104.73337	0.3
105.04496	0.3
105.07069	0.7
107.08603	2.0
109.02885	0.7
109.10128	0.4
111.08080	0.7
115.03947	0.7
117.07015	0.6
121.10128	1.4
127.03889	1.8
131.08592	0.6
133.10188	0.8
135.11743	0.7
145.05003	0.6
148.99872	0.3
149.01201	0.2
149.13249	2.3
159.11652	1.6
177.12769	0.6
185.04269	0.9
195.13863	0.7
203.05321	0.5
235.13062	1.7
243.08290	2.1
253.12799	0.3
269.17590	0.8
280.07935	0.3
291.15710	1.2
347.09476	2.6
363.08804	0.3
365.10681	0.8
389.65970	0.3
405.13623	4.5
406.14377	0.3
453.20972	15.2
454.21332	0.5
501.23386	0.4
503.29865	0.3
602.27563	0.3
615.26178	13.8
616.26361	0.4
665.35236	3.1
673.26477	0.3
718.11365	0.3
827.40344	100.0
828.40527	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	827.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.6
67.05506	2.1
69.03428	0.9
69.07072	0.5
71.05010	0.6
73.02934	1.1
76.39095	0.4
79.05506	0.8
81.03423	0.7
81.07068	1.1
85.02917	1.3
87.14802	0.4
91.03963	0.7
91.05532	0.7
94.06555	0.5
95.04950	0.5
95.08599	0.8
95.33537	0.4
97.02928	1.3
97.10186	0.4
98.14677	0.5
98.23257	2.7
101.02397	0.8
107.08641	0.4
109.10164	0.8
119.08616	0.9
127.03896	0.6
131.00160	0.6
135.11761	0.6
149.01222	0.6
185.33167	0.4
207.28671	0.4
243.08594	0.9
267.09048	2.9
269.10648	1.1
283.15216	0.7
285.10208	1.7
301.09048	0.9
309.10059	0.7
349.16742	0.5
413.17950	1.5
453.20544	0.5
481.20660	0.6
485.17142	3.6
485.23380	0.8
501.23285	1.3
567.25275	1.3
639.31287	0.8
641.31549	0.8
723.39258	7.8
725.36786	2.6
737.35272	1.1
739.38318	0.8
741.36566	1.7
749.41089	0.8
781.43579	1.6
798.72565	0.5
827.41931	100.0
828.42487	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	827.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02979	2.2
65.03999	0.5
67.05503	5.3
69.03429	2.3
69.07123	1.2
69.44456	1.9
71.05027	0.6
73.02915	2.3
79.05550	1.0
81.03040	0.4
81.03489	1.8
81.07060	3.0
83.08641	0.8
85.02892	2.8
91.04034	1.8
91.05560	1.6
92.52698	0.5
93.07123	1.5
95.08672	1.0
97.02894	2.8
97.06616	0.7
101.02409	1.0
105.07083	1.0
107.08674	1.0
109.02958	0.7
109.10146	3.0
119.08664	0.9
121.10193	0.5
125.09754	0.5
127.04035	1.1
131.08575	0.6
149.01347	0.5
168.91554	0.4
173.11902	1.2
184.07420	0.6
195.09984	0.5
229.14507	0.8
243.08281	2.5
267.08990	2.2
269.10812	0.9
269.18002	0.5
285.10110	2.5
287.11761	0.5
301.09149	1.3
309.10318	0.5
333.20569	1.8
373.11121	0.7
413.17789	7.0
437.56406	0.6
439.19907	1.2
453.21249	0.6
485.17041	1.9
485.23224	0.9
487.18732	1.1
501.23367	1.3
517.21539	1.0
529.24133	0.6
551.28333	3.9
583.31458	0.5
639.30353	0.7
641.31567	0.6
657.30853	1.5
699.35370	1.2
723.39191	57.5
724.39459	2.3
741.36853	0.6
781.43054	1.4
787.67719	0.5
809.42694	0.9
827.41901	100.0
828.42157	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	827.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	0.9
59.96182	0.6
61.02930	4.1
67.05505	5.1
69.03444	2.9
69.07087	2.2
70.06613	1.0
71.05013	3.0
73.02935	2.3
79.05499	4.7
81.03434	4.7
81.07066	5.4
83.08658	1.1
85.02911	5.1
85.06568	0.9
91.03992	2.6
91.05487	3.8
93.07034	3.9
95.04989	2.2
95.08608	1.3
97.02921	5.0
97.06564	2.3
101.02391	1.5
105.07076	2.3
107.04953	0.7
107.08616	1.4
107.83038	0.7
109.10163	0.9
117.07081	1.1
119.08604	2.0
121.10189	1.3
127.03979	1.5
128.35458	0.6
129.07033	0.6
131.08611	1.8
133.10184	1.8
135.11723	1.0
147.11711	1.2
149.09695	2.0
175.11250	1.3
184.07396	0.8
193.12326	2.0
197.94247	0.7
243.08566	3.3
267.09180	1.5
267.15891	1.0
269.10806	1.1
283.15286	2.5
285.10239	1.7
339.17688	0.7
349.19922	6.0
439.19650	1.8
453.21289	1.6
501.23209	13.2
567.28033	5.5
599.17993	0.7
660.38373	0.6
666.51410	0.8
827.43982	100.0
828.44244	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	827.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.7
61.02926	4.2
65.37700	0.7
67.05505	5.5
67.66990	0.5
68.14018	0.6
68.51250	0.5
69.03423	2.6
69.07082	1.2
71.01346	0.6
71.04996	1.5
73.02909	4.2
79.05494	3.1
81.03412	4.6
81.07051	3.9
83.05000	1.2
83.08638	1.5
84.95714	0.5
85.02909	5.6
85.06558	0.8
87.04498	1.0
91.03968	3.3
91.05477	3.4
93.07050	2.7
95.04987	1.8
95.08615	1.7
97.02907	4.5
97.10149	0.6
99.04457	0.8
101.02389	1.6
103.03954	1.0
105.07043	1.8
107.04974	0.6
107.08595	1.6
109.02903	1.0
109.06461	0.6
109.10164	2.3
117.07015	0.8
118.17399	0.5
119.08600	1.1
121.10181	1.5
127.03969	2.1
129.05527	1.6
131.08594	1.8
133.10152	1.4
135.11650	1.2
137.68735	0.6
147.11755	0.8
149.09622	1.2
157.10226	0.8
173.11792	0.8
175.11200	1.0
185.04138	3.4
189.15738	0.6
193.12341	2.0
195.09930	0.6
199.92084	0.5
201.03787	1.1
203.05367	0.6
207.13628	0.8
211.13426	0.5
223.13362	0.8
243.08395	3.8
259.08066	0.7
265.14230	1.3
267.16000	1.6
283.15210	9.6
301.08975	10.0
309.16846	2.3
315.10617	2.1
323.18323	2.8
327.10538	0.7
339.17920	1.6
341.12228	0.7
357.15369	1.2
369.15002	0.8
373.10971	3.3
381.18887	4.8
385.18341	5.4
387.12936	0.6
395.20801	0.8
399.20117	2.2
413.17807	3.8
415.15814	0.8
427.19489	4.6
429.17374	2.0
439.19287	3.8
443.19254	0.9
444.19327	0.6
457.20517	0.7
465.28131	2.8
469.20709	2.2
481.20383	7.1
483.21918	1.1
485.24057	0.9
499.21304	3.1
501.23120	24.4
502.23529	1.0
511.28848	1.3
516.22192	0.7
517.22577	1.0
529.22540	9.7
545.22290	1.0
551.28619	0.8
563.34326	0.6
573.25275	8.8
587.27179	1.3
601.28784	2.2
613.31793	1.7
615.29932	0.8
629.31604	0.8
643.33209	1.7
657.29865	1.0
673.34198	4.4
683.36658	1.0
697.35126	0.5
699.35529	8.3
723.39148	12.7
725.36145	0.8
741.36633	27.7
742.36353	1.1
809.42841	3.0
827.43921	100.0
828.44318	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.9
65.03941	0.4
67.05505	4.9
69.03432	3.0
69.07070	3.6
69.11984	0.5
69.12388	1.1
71.01370	0.4
71.04990	0.5
72.96005	0.2
73.02921	3.5
74.51466	0.3
75.04499	0.2
79.05499	5.1
81.03421	1.7
81.07059	5.2
83.04985	0.7
83.08633	0.9
85.02917	4.2
86.09715	0.4
87.04475	0.4
91.03964	2.2
91.05483	4.8
91.06046	0.3
91.61049	0.3
93.07050	6.3
95.01338	0.6
95.04958	1.5
95.08611	3.6
97.02892	4.5
97.03477	0.3
97.06553	1.1
97.10175	0.3
99.04476	0.8
101.02374	1.9
105.04529	0.4
105.07030	5.1
107.04952	1.3
107.08586	2.8
109.02916	0.5
109.06571	0.6
109.10162	1.6
115.03941	0.4
117.07030	1.7
119.08590	4.2
121.10127	1.6
123.08065	0.3
125.00078	0.2
127.03948	1.1
129.05501	0.5
129.07011	0.5
131.08574	1.9
133.10135	3.5
135.08063	0.3
135.11711	1.2
143.08549	0.6
145.10121	1.4
147.11696	1.9
149.09663	1.1
149.13272	0.6
149.34389	0.2
149.66763	0.2
157.10170	0.7
159.11736	1.1
161.13246	0.4
163.11278	0.5
171.11667	0.3
173.13329	0.4
179.14374	1.1
184.07388	0.8
185.02679	0.3
185.04172	1.6
203.05368	0.8
212.35727	0.3
214.34390	0.2
243.08408	4.9
243.10509	0.4
249.78694	0.2
259.20688	0.4
267.10458	0.3
275.20151	0.9
285.18344	0.4
301.08902	1.8
313.27664	0.3
315.10712	0.8
315.19305	5.6
317.20972	0.5
330.63629	0.2
355.13742	0.4
369.15198	0.5
371.16959	0.6
371.22095	1.7
373.11172	0.6
373.23517	0.4
385.18600	0.5
397.18597	0.3
409.99490	0.3
413.23044	0.5
437.21417	0.4
465.21149	1.1
495.21738	1.2
499.23950	0.3
533.27240	12.2
534.27771	0.4
535.28857	7.2
549.27386	0.3
605.29633	1.4
647.33759	0.6
665.44592	0.4
677.44415	0.3
689.38074	0.4
827.49152	100.0
828.49426	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	829.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	0.7
61.02924	5.0
67.05499	4.7
67.48841	0.4
69.03423	2.7
69.06728	0.6
69.07057	2.5
71.01362	0.5
71.05000	1.1
73.02912	2.7
79.05495	3.2
81.03407	4.6
81.07042	5.3
83.05018	1.1
83.08631	1.5
85.02897	3.6
87.04469	0.5
91.03977	1.7
91.05463	3.0
93.07029	3.2
95.04395	0.4
95.04988	1.1
95.08639	1.7
97.02920	2.8
97.06554	1.0
97.10197	0.6
99.04469	0.9
101.02412	1.6
103.03979	0.6
105.07056	1.9
107.08624	2.0
109.10178	1.7
111.08067	0.5
115.09135	0.4
117.07060	0.7
119.08633	1.6
121.10175	1.8
125.09653	1.1
127.03934	1.6
129.07001	0.8
131.08626	1.6
131.38596	0.4
133.10165	1.3
140.57982	0.4
145.04982	0.7
147.11714	0.8
149.09683	1.4
157.10152	1.0
175.11259	0.8
184.07445	0.8
193.12366	1.3
203.05318	0.5
211.13335	0.5
225.14905	0.8
235.65060	0.5
243.08447	2.8
267.16055	0.9
283.15164	3.1
339.18021	1.2
351.21329	3.1
407.24295	0.9
446.11130	0.5
469.20615	0.6
471.22122	0.6
499.22113	0.6
501.23065	14.5
501.30615	0.7
569.29346	11.0
713.82227	0.5
739.39069	1.7
829.45520	100.0
830.45801	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.0
67.05507	4.1
69.03434	2.7
69.07071	1.8
71.01364	0.5
71.05000	0.4
71.07436	0.2
73.02921	4.5
77.03951	0.2
79.05497	5.5
79.05941	0.4
79.17246	0.2
81.03423	1.7
81.07060	4.2
83.04999	0.5
83.08640	0.7
85.02907	4.9
85.03406	0.3
86.09710	0.3
87.04501	0.6
91.03960	2.6
91.05482	5.1
93.07047	6.7
94.07380	0.2
95.04971	0.9
95.08610	2.9
97.02898	4.0
97.06556	0.4
97.10181	0.3
98.22706	0.5
99.04450	0.9
101.02382	2.1
103.03967	0.4
105.04565	0.4
105.07036	4.7
105.07732	0.3
107.08601	3.3
109.02878	0.9
109.06557	0.4
109.10162	1.2
111.04424	0.2
115.03935	0.2
117.05576	0.2
117.07021	1.2
119.08578	3.2
121.06563	0.2
121.10152	2.2
121.10869	0.2
123.11733	0.3
125.00027	0.2
127.03909	1.6
129.05530	0.6
129.07063	0.8
131.08595	1.8
133.10123	2.9
135.08037	0.3
135.11691	1.5
143.08614	0.6
145.04950	0.5
145.10152	1.1
147.11699	2.6
149.09634	0.2
149.13252	0.9
150.96292	0.2
157.04814	0.3
157.10188	0.7
159.11717	0.8
161.13287	1.0
171.11771	0.5
173.13335	0.6
175.14764	0.3
184.07422	0.8
185.04227	1.5
185.13283	0.4
201.03690	0.4
203.05307	0.8
241.06860	0.3
243.08405	4.7
247.13116	0.2
250.81065	0.2
259.20596	1.1
299.19843	0.4
301.08896	2.8
301.11816	0.3
313.09039	0.6
315.10431	1.1
317.20880	1.7
327.10516	0.4
333.24304	0.4
341.12332	0.5
355.13666	0.4
357.15411	0.3
357.24387	0.3
369.15335	0.3
373.11398	0.7
373.23532	0.6
383.16898	0.4
385.18491	0.8
387.12869	0.2
390.62814	0.2
397.18454	0.7
415.24707	0.5
429.17587	0.5
457.21060	0.2
465.20984	2.2
495.22412	0.6
497.23865	0.2
499.33881	0.3
517.27808	0.4
525.23083	2.3
535.28766	16.9
536.29065	0.4
539.24445	0.2
551.27563	0.3
565.26514	0.3
607.30945	2.4
621.32629	0.7
635.33972	0.7
649.35339	0.6
663.36859	0.3
677.38330	0.3
691.40015	0.6
717.41998	0.3
731.42816	0.3
759.42688	0.5
829.50708	100.0
830.50970	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.3
61.02924	6.4
67.05503	7.7
69.03430	4.8
69.07071	2.7
69.08764	2.1
71.01359	0.8
71.04993	0.8
73.02913	5.8
79.05495	5.5
80.12161	0.3
81.03429	2.7
81.07055	9.1
81.95950	0.3
83.05001	0.9
83.08626	0.9
85.02907	8.3
86.09696	0.3
87.04496	0.3
91.03957	5.0
91.05470	4.0
93.07042	5.7
93.07586	0.3
95.04962	1.7
95.08604	5.7
97.02888	6.9
97.03493	0.5
97.06548	0.8
99.04440	1.4
101.02377	2.9
103.03986	0.4
105.07031	2.7
107.08600	3.3
109.02885	0.7
109.06538	0.6
109.10139	2.4
115.03951	0.6
117.07040	1.1
119.08593	2.0
121.10149	2.8
123.08100	0.4
123.11714	0.5
127.03891	2.4
129.06989	0.3
131.08565	1.7
133.10147	1.3
135.11688	2.2
145.04935	0.4
145.10155	0.8
147.11732	1.0
149.13292	0.6
159.11696	0.5
161.13304	0.7
176.75975	0.3
184.07417	1.0
185.04251	0.7
203.05289	0.7
204.31947	0.3
235.13318	0.3
243.08412	4.4
299.31497	0.3
314.58151	0.3
333.20313	4.1
335.25858	1.1
383.64554	0.3
389.23145	0.6
439.19534	1.0
453.20990	1.2
497.30820	0.3
519.29352	8.4
551.28247	6.3
829.50641	100.0
830.50989	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.6
65.04977	0.5
67.05502	3.4
69.03449	2.2
69.07069	1.5
69.33608	0.6
70.94108	0.6
71.08630	0.9
73.02915	2.9
79.05494	3.6
81.03424	1.5
81.07063	3.6
83.04980	0.9
85.02896	2.9
86.09729	1.1
91.03962	2.0
91.05467	2.4
93.07043	3.7
95.08640	2.3
97.02908	1.9
99.04464	0.8
99.08121	0.9
101.02386	1.1
105.07048	2.0
107.08607	2.2
109.02848	0.6
109.10168	0.8
117.07031	1.1
119.08598	2.3
121.10149	1.3
127.03954	0.9
131.08578	1.0
133.10153	1.4
135.11751	1.8
145.10176	1.4
147.11710	1.1
148.63318	0.5
149.07228	0.5
159.11668	0.6
159.73471	0.5
163.11249	0.6
179.14391	1.5
184.07425	2.4
185.04227	1.1
243.08354	2.7
259.20569	0.5
287.19806	0.7
317.20883	2.9
336.06689	0.5
353.86246	0.5
373.23672	0.8
461.32141	0.6
495.22153	1.2
533.27625	1.8
535.28815	9.3
537.30255	2.8
607.31000	1.0
728.09253	0.7
829.50653	100.0
830.50775	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	831.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.0
64.00771	0.4
67.05515	5.8
69.03432	2.4
69.07063	1.4
69.66360	0.4
73.02937	2.8
77.03949	0.5
79.05508	3.9
81.03417	1.5
81.07067	5.9
83.08604	1.1
85.02931	3.6
86.09731	0.5
86.65631	0.5
91.03966	2.5
91.05476	3.4
93.07057	3.9
95.04995	0.6
95.08617	4.9
95.83295	0.4
97.02907	3.6
99.04452	1.1
101.02370	1.7
105.04512	0.7
105.07049	2.7
107.08621	1.8
109.02854	0.9
109.10147	2.2
115.03973	0.6
117.04205	0.4
117.07056	0.6
119.08563	1.8
121.10165	1.7
122.22144	0.5
123.11634	0.6
127.03943	1.1
131.08546	1.2
133.10143	1.7
135.11676	1.4
145.10179	0.6
147.11687	1.2
149.13243	0.6
159.11676	0.8
161.13249	0.5
163.14790	0.5
173.11765	0.7
173.13223	0.7
184.07364	1.9
185.04201	1.2
187.14728	0.7
203.05272	0.8
243.08327	3.4
259.20578	0.6
301.08841	0.8
315.10568	0.5
319.22522	0.6
347.09619	0.5
405.13702	1.0
413.17896	2.3
465.20752	0.5
497.30960	0.9
535.28821	5.4
537.30450	9.5
575.22766	1.5
590.11707	0.5
609.32172	0.9
659.36328	0.9
669.41364	0.7
831.52344	100.0
832.52930	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	834.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70140	0.2
67.01860	0.9
69.03429	1.9
71.01345	0.2
71.04987	0.5
73.02915	0.4
77.79008	0.2
81.03419	4.0
84.24246	0.2
85.02902	2.3
87.04458	0.3
91.05493	0.3
97.02874	1.3
99.04454	0.9
99.31463	0.3
103.05415	0.4
103.55886	0.2
107.53444	0.2
108.04550	0.4
109.02885	2.5
113.05972	0.4
119.04965	0.3
127.03912	4.1
131.04904	0.4
141.05432	2.4
145.04958	0.3
147.04405	0.7
153.01801	0.5
157.02818	0.7
159.04373	0.3
159.06506	0.3
163.03902	0.8
173.02342	0.6
175.03903	0.9
185.02277	1.2
187.03897	4.1
191.03404	1.3
199.03813	0.3
201.01793	1.4
202.02718	0.3
203.03377	3.0
213.01820	3.0
215.03371	3.6
219.02892	0.9
220.03543	0.3
227.03322	0.3
229.01312	2.4
230.02036	0.5
231.02882	17.4
232.03368	0.4
241.01289	2.9
245.04494	0.4
247.02379	2.9
255.03014	0.3
257.00824	3.5
258.01385	0.2
259.02380	31.7
260.02951	0.7
273.03983	1.8
275.01837	5.0
276.02637	9.4
277.03421	100.0
278.03793	1.9
285.00305	2.5
289.03323	0.7
291.05002	3.1
303.01343	46.8
304.01654	0.8
315.01428	0.2
317.02872	0.5
321.02405	3.2
328.99387	0.3
335.03986	5.5
355.04349	0.4
357.05969	0.4
363.03506	0.9
367.04614	0.5
383.03983	0.3
385.05453	0.3
387.03522	0.4
411.03464	0.5
423.05640	0.5
429.04282	0.6
447.05377	1.3
465.06772	3.6
483.07611	0.7
633.70258	0.2
717.90369	0.3
718.82001	0.3
767.06598	0.3
785.08472	2.6
799.09619	0.5
817.09949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19194	0.9
65.03937	1.9
67.05503	30.7
67.05869	1.7
69.03111	0.9
69.03422	5.6
69.07068	34.1
69.07452	1.9
71.12539	1.0
78.75372	1.0
79.05492	25.8
81.03416	8.2
81.07054	37.0
83.04983	6.3
83.08619	7.3
85.06565	1.3
86.09718	0.9
87.56183	0.9
91.05474	35.7
93.07045	25.5
95.01334	6.1
95.04962	11.2
95.08605	21.8
96.71397	1.1
97.02900	5.1
97.06531	26.5
97.10165	8.6
103.05515	1.6
105.04520	1.6
105.07027	51.7
107.04951	14.0
107.08588	14.0
109.06524	4.1
109.10147	7.7
111.04415	0.8
111.08074	2.8
113.09666	1.5
115.05476	1.4
116.06318	1.0
117.07016	12.2
119.04928	1.4
119.08572	29.9
121.06515	3.7
121.10137	7.9
123.04418	2.0
123.08070	5.0
123.11728	1.1
125.09637	6.8
128.06262	1.1
129.07042	2.7
130.07825	1.3
131.08565	16.8
133.06464	2.2
133.10121	28.5
135.08052	3.8
135.11633	5.3
136.25716	0.8
137.09639	2.9
139.07512	1.7
141.07019	2.1
142.07652	0.9
143.08572	3.3
145.06491	2.1
145.10123	12.5
145.65976	0.9
147.08064	3.7
147.11676	9.6
149.09663	6.0
149.13277	3.7
155.08519	1.0
157.10146	2.8
158.07635	0.8
159.11722	7.7
161.09604	2.8
161.13261	4.2
163.09918	0.9
163.11200	3.6
165.09068	2.0
167.10583	1.0
169.10216	0.9
171.11678	2.6
173.13283	3.5
175.11211	1.9
177.12724	3.1
179.14334	9.7
183.11662	2.0
185.13272	1.0
187.11200	2.2
189.11250	1.6
193.12224	1.2
197.13319	1.5
205.12267	2.1
223.13261	10.8
227.12804	2.7
229.19458	1.1
230.66710	1.0
232.19850	0.9
242.08029	1.0
249.14937	2.4
257.18939	4.6
273.18503	7.2
275.20047	52.2
276.20477	2.3
291.19531	42.9
292.19980	1.0
293.21191	4.0
316.36597	0.9
347.22113	2.5
349.23727	27.3
365.23215	27.3
410.44196	1.0
526.17688	1.0
541.35205	2.5
559.35760	2.0
591.24823	1.0
621.41382	3.0
639.42505	100.0
640.42511	4.1
657.43494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29686	1.5
63.95192	1.5
65.03915	4.4
67.05501	54.5
68.99778	1.4
69.03431	4.4
69.06714	2.1
69.07067	34.5
79.05492	44.2
81.03429	16.2
81.07054	72.8
83.04979	10.6
83.08610	8.6
85.02888	2.3
85.06532	6.3
91.05477	82.7
93.07043	42.9
95.01340	9.7
95.04965	14.5
95.08605	39.5
97.06530	30.9
97.10171	2.9
103.05444	2.5
105.04517	2.6
105.07027	100.0
107.04947	19.3
107.08587	29.6
109.06496	8.9
109.10155	32.8
111.04442	1.7
111.08068	4.4
113.06029	1.9
115.05466	2.0
117.07017	18.6
119.08574	39.7
121.06512	9.0
121.10157	8.4
123.08076	6.7
123.11700	6.2
128.06169	3.0
129.07007	5.7
131.08571	25.1
133.06480	5.6
133.10124	65.5
135.08034	9.0
135.11713	7.6
137.09631	3.8
139.07533	1.7
141.06982	2.0
141.66408	1.4
143.08572	7.0
145.06477	3.0
145.10117	17.7
147.07997	3.5
147.11684	18.5
149.09631	9.8
149.13242	4.1
151.11179	16.4
155.08530	2.4
157.10144	2.8
159.08084	2.2
159.11702	10.1
161.09605	5.4
161.13231	5.3
163.11139	5.8
165.09129	2.3
165.12871	1.9
169.10123	3.5
169.12209	2.1
171.11671	4.3
173.13234	4.7
175.11206	2.5
177.12717	2.2
179.14291	10.9
181.12163	1.6
187.11169	4.0
239.18039	2.1
244.42317	1.8
245.19000	2.4
251.12720	3.1
253.14343	65.3
257.18924	5.6
263.20120	2.8
263.74384	1.5
273.18457	19.4
275.20065	76.6
291.19550	19.4
293.21118	4.0
309.20551	2.7
321.83331	1.8
329.20908	1.8
333.24268	1.8
347.22134	10.1
349.23730	42.8
356.67331	1.6
365.23199	35.6
396.82770	1.5
467.17288	1.6
527.33228	2.1
543.32690	2.3
545.34399	11.0
607.43164	2.8
621.41510	14.6
639.42487	98.3
640.42584	3.9
657.43677	2.2
836.50970	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	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	2.4
67.05505	39.7
67.37656	2.0
69.03450	3.2
69.07073	23.7
71.45748	2.0
79.05495	30.4
81.03420	8.8
81.07060	53.1
83.04990	10.3
83.08622	8.0
91.05484	57.1
91.06056	2.9
93.03455	1.8
93.07054	36.5
95.01347	4.6
95.04955	13.2
95.08615	27.9
95.93089	1.9
97.06542	26.6
97.10191	3.7
99.79534	2.1
105.07037	66.4
107.04975	16.1
107.08587	22.1
109.06528	6.7
109.10159	17.7
111.04418	2.5
111.08057	3.0
117.06979	11.5
119.08602	34.1
121.06512	8.5
121.10143	8.9
121.20851	2.2
123.04449	3.1
123.08076	5.3
123.11707	3.6
125.09631	2.4
129.07024	4.7
130.07797	2.7
131.08580	21.1
133.06514	3.7
133.09184	2.9
133.10149	44.5
135.08061	8.5
135.11659	7.0
137.09607	2.1
141.07008	2.2
143.08513	3.9
145.10144	14.3
147.08014	3.4
147.11687	13.1
149.09644	9.1
149.13335	3.3
151.11163	11.4
157.10092	4.5
159.11707	8.3
161.09651	2.2
161.13258	3.4
163.11211	3.4
171.11731	2.4
173.13185	3.6
175.11218	3.1
177.12732	3.1
179.10757	2.1
179.14330	9.3
187.11182	3.0
199.14825	2.1
251.12798	2.2
253.14348	44.6
257.18967	6.5
273.18597	18.1
275.20084	69.2
279.15805	2.4
291.19537	24.5
293.21072	4.3
329.21146	2.6
347.22214	13.5
349.23779	34.1
365.23215	35.0
389.69971	2.0
545.34656	6.5
621.41272	17.1
639.42596	100.0
640.42371	5.5
706.92511	2.3
784.63080	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	838.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04970	0.7
61.02934	7.1
62.96440	0.4
65.03896	1.3
67.05510	35.3
69.03442	3.4
69.07074	12.5
71.04996	4.5
73.02917	2.9
79.05501	24.1
81.03424	39.4
81.07063	42.9
83.04987	10.8
83.08626	19.1
85.02912	20.3
85.06543	2.5
91.03969	4.8
91.05489	21.6
93.07052	31.4
95.04977	17.9
95.08611	12.5
97.02350	0.5
97.02897	6.1
97.05981	0.4
97.06537	6.9
97.10169	2.5
99.04422	1.1
99.08070	1.3
101.02368	0.5
105.04485	1.6
105.07040	14.0
107.04946	3.7
107.08602	16.8
108.08842	0.4
109.02856	0.6
109.06538	3.3
109.10176	2.6
111.04415	1.8
111.07337	0.5
111.08089	9.3
113.05969	1.5
113.09586	0.6
115.05414	0.6
117.07039	4.9
119.08589	10.3
121.06479	1.8
121.10152	12.2
123.08012	1.7
123.11733	2.7
125.09589	0.8
127.03878	1.7
127.07534	0.9
128.06207	0.4
129.07013	6.7
129.53897	0.5
131.07666	0.7
131.08575	9.6
133.06453	1.8
133.09166	0.7
133.10127	10.2
135.08026	1.2
135.11719	4.3
137.09570	1.0
142.07744	1.7
145.04982	1.1
145.10078	1.3
147.08095	2.5
147.10574	0.7
147.11693	10.3
149.09619	3.5
149.12117	0.7
149.13271	14.9
151.11160	1.2
157.10129	9.4
159.11717	6.9
163.06058	2.1
163.11179	0.6
165.12811	2.2
175.11208	8.3
177.12740	2.6
193.12262	24.1
194.12547	0.7
195.13803	5.3
211.13300	30.5
212.13731	0.7
213.14865	0.9
227.12846	0.5
249.14873	0.6
267.15939	26.7
268.16269	0.7
269.17493	51.4
270.17850	1.0
285.16989	27.5
286.17349	0.5
288.95410	0.4
315.91827	0.5
369.24341	0.6
433.30023	0.6
435.27347	1.6
443.27997	1.2
461.29004	65.3
462.29440	1.9
479.30069	100.0
480.30347	4.0
623.34442	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89974	0.9
61.02940	1.4
65.03940	3.6
67.05505	51.7
69.03419	3.8
69.06709	1.9
69.07069	34.3
71.04991	2.4
74.59514	1.1
77.03955	1.0
79.05494	44.2
81.03425	10.4
81.07056	63.5
83.04978	9.9
83.08630	9.8
83.39648	1.0
85.06527	2.5
87.04456	1.8
91.05480	57.0
93.07045	48.0
93.97011	1.3
95.01328	6.2
95.04961	12.1
95.08607	34.4
95.09218	2.0
97.02898	2.9
97.06529	29.6
97.10162	4.7
99.08112	2.2
102.19668	1.0
103.05447	1.2
105.04537	2.2
105.07032	80.5
107.04951	16.7
107.08595	25.6
109.02823	1.2
109.06554	5.8
109.10158	10.1
111.08095	3.2
115.05468	2.4
116.06155	1.0
117.07033	16.4
119.08583	36.6
121.06517	4.1
121.10144	12.1
123.04424	2.3
123.08080	4.5
123.11700	1.9
125.09663	5.2
128.06203	1.5
129.07002	3.2
130.07877	1.4
131.08565	24.1
133.06540	1.8
133.10127	41.4
135.08047	5.0
135.11685	12.1
137.09581	1.8
139.07539	2.0
141.06975	2.1
143.08565	3.9
145.06516	2.1
145.10132	16.8
147.11699	17.0
149.09599	8.1
149.13286	7.4
151.11153	3.7
155.08589	2.3
157.10039	5.4
159.11720	13.7
161.13271	8.7
163.11163	6.4
165.09113	2.2
169.10136	3.4
171.11707	3.1
173.13258	5.2
175.11226	1.9
175.14828	1.0
177.12755	4.2
179.14308	10.3
183.11629	2.9
184.07298	1.1
185.13248	1.7
187.11177	3.0
195.13809	2.6
197.13289	2.0
201.12686	1.5
227.12738	2.5
229.19550	1.4
233.15370	1.1
239.18002	2.8
241.19591	2.1
247.20592	3.7
251.16403	2.9
253.14339	1.4
255.15871	4.7
257.18951	7.0
259.20593	2.5
269.17432	19.9
273.18613	1.9
275.20065	69.0
279.16043	1.1
291.19489	6.9
293.21121	3.7
331.22269	1.2
333.24124	2.9
349.23743	45.4
365.23151	4.2
367.24622	4.0
412.37436	1.0
413.21744	1.1
497.91034	1.1
503.33511	2.0
527.37061	1.5
529.35272	19.4
530.35358	1.4
543.36804	100.0
544.36761	2.5
557.88098	1.2
564.32080	1.3
605.41766	2.4
623.43097	30.5
624.43353	2.3
641.43823	8.0
687.40839	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05026	1.8
65.03937	4.8
67.05504	84.8
69.03439	11.4
69.06706	3.0
69.07067	48.6
71.04996	5.2
79.05489	81.6
81.03417	11.5
81.07053	84.8
81.42931	1.5
83.05001	11.2
83.08615	20.3
85.02922	2.7
85.06541	4.6
87.04478	3.0
90.31573	1.7
91.05477	85.3
93.06451	3.4
93.07042	72.0
95.01344	3.4
95.04968	19.5
95.05534	2.5
95.08603	46.0
95.51273	1.7
96.08942	1.8
97.02883	11.4
97.06532	22.0
97.10175	18.2
98.22679	3.5
103.05467	3.0
105.04520	4.2
105.07029	97.0
106.07386	2.3
107.04952	13.7
107.08591	50.7
109.06521	7.9
109.10139	23.9
111.08082	4.3
115.05455	3.9
117.07020	27.0
118.07822	2.1
119.08575	74.3
121.06481	9.1
121.10142	22.7
123.08064	7.8
123.11751	5.0
125.09621	14.8
126.28005	1.6
128.06232	4.0
129.07021	13.3
130.07771	1.9
131.08562	40.5
133.06462	3.4
133.10132	49.4
135.08023	9.7
135.11694	18.2
137.09601	3.9
141.06956	1.8
142.07764	2.9
143.08571	16.6
145.06479	3.0
145.10107	25.8
147.08058	7.5
147.11674	33.8
149.09627	8.0
149.13261	7.4
151.11172	2.6
153.09076	2.7
154.07788	1.8
155.08537	5.8
157.10103	16.5
159.08119	2.5
159.11694	20.9
161.09608	4.0
161.13242	17.9
163.11211	6.5
163.14854	2.9
165.09122	2.7
167.08656	2.1
169.10123	7.8
171.10301	2.6
171.11661	15.0
173.13252	11.6
175.11301	3.4
175.14786	9.3
177.12785	5.4
179.14180	4.1
181.10178	2.9
183.11642	5.2
185.13188	9.8
187.11234	1.9
187.14767	5.5
189.11198	11.1
189.12738	3.4
195.11682	3.2
195.13885	2.5
197.13258	3.9
199.14786	6.6
205.12248	2.2
211.14882	4.3
213.16425	4.1
223.13182	17.6
225.16472	2.0
227.12819	10.4
227.17941	2.0
231.21182	2.4
239.17915	4.2
241.19495	23.7
245.19078	3.4
247.20612	2.9
257.19067	7.9
259.20584	49.5
269.17432	6.5
273.18427	10.3
275.20062	41.5
291.19528	100.0
315.23187	8.9
327.31516	1.6
331.22815	1.8
333.24225	63.9
334.24564	2.0
349.23764	27.7
365.23203	45.5
367.24789	6.4
379.29938	6.8
525.35779	10.2
529.34979	7.0
531.38629	2.0
543.36829	34.2
544.36859	2.6
547.98425	1.7
549.38776	2.4
555.38129	1.7
605.41882	6.7
623.42969	86.0
624.43085	2.6
641.44025	29.1
780.45959	9.0
785.48041	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.2
65.03939	5.4
67.05500	56.7
69.03427	4.0
69.07066	42.7
71.04996	5.9
77.03928	1.4
79.05490	45.4
81.03419	11.7
81.07053	72.2
83.04977	11.0
83.08619	10.9
85.02898	2.5
85.06533	3.1
87.04476	2.8
91.05476	63.1
93.07039	52.0
95.01318	8.7
95.04967	14.5
95.08603	37.6
97.02872	2.0
97.06525	40.7
97.10158	6.4
99.04453	2.4
99.08095	2.1
103.05460	2.8
105.04547	3.4
105.07024	85.0
107.04953	22.1
107.08588	32.0
109.02912	1.4
109.06530	6.4
109.10142	11.7
111.08086	6.2
113.09653	2.6
115.05380	1.5
117.07013	20.6
119.08575	46.1
119.09425	2.5
121.06528	5.7
121.10136	14.0
123.04425	2.4
123.08083	6.2
123.11725	2.7
125.09614	4.0
127.17774	1.2
128.34897	1.0
129.06961	6.1
131.05006	1.3
131.08560	28.9
133.06458	1.3
133.10121	51.9
135.08066	5.8
135.11694	15.3
137.09659	3.2
138.58498	1.1
139.07578	1.9
141.06987	3.0
142.33682	1.1
143.08549	5.8
145.06508	3.2
145.10107	22.7
147.08076	2.0
147.11671	18.1
149.09608	15.9
149.13274	9.7
151.11192	3.2
155.08597	3.3
157.10173	4.7
159.08087	2.1
159.11682	19.0
161.09641	2.6
161.13235	6.5
163.11147	10.3
165.09114	3.1
165.12750	1.5
169.10178	4.2
171.11696	4.7
173.04488	2.7
173.13225	7.6
175.11197	3.6
177.12715	6.4
179.14301	16.8
183.11650	4.2
185.13249	2.1
187.11197	2.3
189.12808	1.4
195.13818	2.8
197.13371	2.3
205.12344	1.2
211.14806	1.3
219.17390	2.3
227.12756	5.3
229.19577	3.2
239.17928	2.9
247.20628	3.0
251.16463	3.7
255.15895	8.7
257.18967	10.7
267.15994	1.4
269.17474	21.0
275.20053	95.6
276.20340	1.3
279.16022	1.9
293.21039	5.8
321.24185	1.6
331.22635	2.4
349.23709	61.4
350.24045	1.2
367.24689	3.4
413.21793	2.5
529.35248	29.6
543.36798	100.0
544.37158	3.1
623.42963	46.8
641.44043	9.5
687.40546	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	838.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	4.0
66.72473	1.1
67.05511	55.7
69.03435	4.2
69.07076	39.9
69.27575	6.6
71.05001	3.7
71.08624	1.8
79.05499	48.4
81.03432	10.5
81.07061	72.9
83.05006	9.0
83.05418	1.6
83.08615	11.6
85.06544	3.1
87.04468	1.6
91.05485	72.4
93.07055	52.7
95.00810	1.1
95.01331	8.4
95.04963	14.4
95.08611	40.0
97.02892	1.5
97.06532	28.6
97.10162	5.8
99.04441	1.5
99.08116	1.8
103.05475	2.9
105.04542	3.5
105.07040	88.1
107.04974	16.5
107.08604	25.6
109.04520	1.2
109.06535	5.1
109.10146	13.1
111.08095	4.1
113.09653	1.5
115.05459	1.9
116.06222	1.6
117.07021	18.5
119.08588	53.8
121.06528	4.0
121.10161	14.4
123.04445	3.2
123.08052	4.2
123.11722	3.7
125.09630	3.2
127.07566	1.6
129.05515	1.8
129.07063	6.8
131.08577	30.3
133.10133	57.2
135.08087	5.6
135.11688	10.4
137.09639	3.9
139.07573	2.1
141.06966	1.9
143.08566	7.7
145.06528	3.9
145.10129	25.4
147.11697	26.2
149.09651	10.6
149.13245	9.4
151.11221	2.8
153.09169	1.9
155.08566	2.3
157.10152	7.8
159.08095	3.1
159.11710	16.4
161.09682	1.9
161.13254	9.9
163.11169	7.1
163.14949	1.6
165.09132	3.1
169.10115	5.4
171.11685	9.3
173.04530	1.9
173.13232	7.9
175.14909	2.7
177.12801	6.4
179.14342	17.0
180.33270	1.4
183.11711	2.4
185.13286	2.3
187.11191	4.6
187.14790	2.2
191.14339	2.4
193.12315	1.5
195.13831	3.8
197.13194	2.3
199.14929	1.5
217.15897	1.8
219.13783	1.5
227.12788	2.3
229.19548	2.4
239.17938	3.8
241.19527	7.6
247.20676	3.9
253.14433	2.4
257.18970	11.4
259.20636	12.7
269.17511	16.0
275.20084	100.0
276.20523	2.4
277.21625	2.4
279.15878	2.4
289.18100	1.7
291.19550	2.1
293.21179	5.0
315.23132	3.5
331.22525	1.4
333.24301	22.7
335.25806	4.3
349.23746	49.5
365.23495	2.4
543.36847	41.4
544.37598	1.9
607.43610	43.8
608.44330	2.7
623.43109	15.5
625.44531	4.5
641.44293	6.1
729.23914	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	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.8
63.36003	1.2
65.03941	5.0
67.05508	77.1
69.03426	4.5
69.07075	25.8
71.04996	6.2
79.05500	66.0
81.03430	8.2
81.07061	84.1
83.01321	1.7
83.04984	11.3
83.08614	11.6
85.02899	2.8
85.06543	7.7
85.74538	1.4
87.04457	2.2
91.05483	100.0
91.42953	1.4
93.07050	65.3
95.04972	17.7
95.08611	41.9
97.02895	2.5
97.06536	9.0
97.10172	4.7
98.22672	2.4
99.04440	1.5
99.08095	4.3
101.06034	1.7
103.05467	2.7
105.04537	4.2
105.07037	96.2
107.04978	8.0
107.08603	56.1
107.09345	2.1
109.06532	10.9
109.10165	53.5
111.08098	3.8
113.05985	2.4
115.05489	3.7
117.07029	24.2
119.08590	51.7
121.06536	8.7
121.10151	26.0
123.08076	6.7
123.11726	10.6
125.09646	3.3
127.07560	3.2
128.06223	3.3
129.07008	14.2
130.07799	2.3
131.08575	31.7
133.06505	4.4
133.10135	90.7
135.08073	10.9
135.11699	17.4
137.09627	4.6
141.06979	2.6
142.07762	2.1
143.08571	18.1
145.10130	27.4
147.08064	3.4
147.11693	34.9
149.09653	7.9
149.13287	9.1
151.11182	31.4
155.08534	3.4
157.10152	14.6
159.08122	4.1
159.11703	22.7
161.09604	8.1
161.13277	21.4
163.11168	6.6
163.14793	3.6
167.08553	2.8
169.10159	4.8
169.12262	6.4
171.08055	2.9
171.11694	15.3
173.09625	3.1
173.13289	9.8
175.11200	4.6
175.14818	8.8
177.12801	2.6
179.10716	2.9
181.10146	1.6
183.11719	5.7
184.58241	1.6
185.13255	10.1
187.14844	6.1
189.12758	2.6
193.10182	2.2
193.12125	1.8
195.11732	2.7
197.13312	4.2
199.11163	1.8
199.14821	8.2
201.12686	1.5
201.16452	1.7
207.13795	1.8
209.13329	4.0
211.14838	4.6
213.16397	5.3
215.12721	3.6
217.19597	1.9
227.17946	2.0
231.17384	2.7
231.21048	5.7
237.16451	2.0
239.17834	2.6
241.19543	24.9
244.56433	1.6
245.19063	2.3
253.14359	95.0
255.17519	2.4
257.19073	5.8
259.20578	63.5
261.22293	1.7
263.20093	4.2
269.18884	1.7
271.15347	2.9
273.18475	17.7
275.20132	5.6
277.21729	3.7
287.20059	3.1
289.18103	2.6
291.19537	23.8
297.22253	2.0
313.21530	2.6
315.23062	11.1
329.21451	1.7
333.24258	63.3
335.26001	2.9
347.22247	3.5
353.28531	4.2
361.24072	2.2
363.21561	2.1
365.23264	43.0
409.30978	3.9
419.29153	2.2
437.30576	5.5
455.31577	5.6
487.34503	1.7
501.35739	5.2
511.34302	22.8
513.36951	3.2
525.35406	2.1
529.35284	32.4
531.37903	5.1
541.35425	1.7
543.36969	2.5
549.39319	5.6
595.43518	2.1
605.41895	13.6
623.43103	62.2
624.43060	2.2
641.44446	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05027	2.5
61.02929	4.1
65.03943	7.5
67.05505	100.0
69.03424	11.9
69.07071	45.0
69.54797	7.7
71.04999	5.7
73.02911	2.6
77.03938	2.5
79.05496	84.4
81.03416	7.8
81.07059	95.2
83.04987	11.3
83.08611	23.8
85.02917	8.1
85.06538	4.5
86.09711	8.0
91.05483	91.4
93.07047	91.0
95.04965	13.6
95.08613	61.5
97.02890	7.7
97.06528	11.7
97.10168	17.5
98.23370	4.7
99.08073	4.7
103.05459	5.2
105.04529	5.9
105.07033	94.4
107.04977	10.5
107.08607	58.5
109.06535	6.4
109.10158	30.2
111.08086	5.6
113.09718	2.3
115.05481	3.9
117.07027	36.6
119.08584	72.0
119.09428	4.8
121.06512	6.8
121.10154	34.0
123.08071	7.7
123.11711	9.9
125.00000	3.3
125.09638	16.6
128.06252	5.0
129.05542	3.0
129.07010	26.2
130.07800	2.8
131.08585	44.6
133.06427	3.3
133.10136	54.2
135.08055	7.9
135.11720	24.1
137.09636	4.5
141.06995	10.9
142.07773	6.8
143.08562	29.7
145.10130	42.2
147.07982	2.5
147.11681	38.3
149.09630	10.9
149.13246	11.5
151.11192	3.2
154.07747	2.9
155.08554	12.6
157.10121	25.6
159.08058	2.1
159.11708	32.2
161.13277	17.3
163.11156	6.4
163.14848	5.4
165.12866	2.2
167.08630	4.2
169.10098	16.5
169.41388	2.1
171.11688	20.4
173.09589	3.2
173.11829	3.9
173.13303	15.5
175.11194	3.7
175.14868	9.5
177.12746	4.0
179.08548	3.3
181.10127	9.8
183.11674	17.8
184.07378	23.8
185.13255	16.9
187.11198	3.2
187.14810	6.2
189.11301	5.8
189.12857	4.1
189.16417	2.7
193.10161	3.1
195.11705	12.0
197.13281	11.7
199.14842	10.1
207.11678	2.7
207.13675	2.2
209.13324	5.0
211.14801	9.4
213.16408	9.6
215.17957	3.3
221.13231	2.8
223.14787	5.3
225.16414	2.7
227.12758	8.7
229.14368	5.7
229.19400	2.8
231.20988	3.7
235.14821	3.8
236.23692	2.5
237.16487	4.0
239.18059	5.2
241.19537	14.0
257.19028	8.5
259.20605	38.8
261.22128	3.2
263.17914	2.3
265.19427	2.2
269.17526	7.0
273.18427	4.9
275.20114	23.8
277.21777	3.3
291.19531	3.5
311.20016	2.5
315.23044	7.6
333.24289	39.9
335.25955	3.7
335.82263	2.8
349.23755	19.9
351.25308	2.9
365.28482	4.6
421.31216	4.0
435.32663	3.8
439.32233	3.2
487.33920	3.2
503.34958	2.2
513.35876	25.6
515.38556	6.1
525.35791	3.3
527.37512	23.5
533.40295	5.2
545.37665	3.4
551.41058	3.4
567.40039	5.3
589.42291	2.1
607.43530	46.3
608.43671	2.3
625.44574	45.4
626.44678	3.3
787.49506	2.5
840.49548	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.8
61.02934	6.0
65.03938	6.1
67.05509	95.4
68.05851	1.1
69.03433	11.5
69.07072	41.4
69.78907	3.1
71.04995	5.4
71.08636	1.4
73.02935	2.4
77.03934	2.4
79.05500	82.5
79.65167	1.2
81.03416	11.5
81.07062	100.0
82.07405	1.4
83.04993	14.1
83.08627	19.1
85.02908	10.3
85.06557	5.8
86.09709	1.9
91.03963	2.0
91.05485	84.4
92.05797	1.2
93.07052	90.9
94.07368	1.3
95.04976	19.3
95.08613	62.0
96.08134	1.0
97.02889	7.7
97.06542	12.6
97.10184	10.1
99.04456	1.4
99.08112	4.7
99.38335	1.1
103.05460	3.2
105.04550	4.9
105.07037	84.7
107.04992	5.0
107.08602	52.2
109.02859	2.4
109.06532	7.9
109.10165	27.3
111.04475	3.1
111.08089	6.7
111.11707	1.5
113.06024	1.5
113.09658	2.4
115.05476	4.7
116.06263	2.1
117.07027	40.0
119.06087	1.8
119.08590	62.5
121.06488	4.8
121.10155	38.0
123.08089	4.7
123.11737	7.7
125.05965	1.1
125.09626	8.3
127.03951	3.5
128.06223	6.7
129.05481	4.2
129.07008	27.2
130.07809	2.1
131.05034	1.0
131.08575	47.4
133.06471	3.3
133.10139	44.6
135.08066	6.0
135.11707	21.2
137.09647	3.0
137.13246	2.4
139.11201	1.6
141.06982	8.4
142.07808	4.7
143.08569	23.9
144.09300	1.9
145.05055	1.5
145.06456	2.0
145.08968	2.0
145.10130	42.9
147.08067	3.3
147.11705	38.9
148.12044	1.1
149.09633	9.1
149.13277	15.8
151.11244	3.3
153.07076	1.9
154.07855	2.0
155.08559	12.6
156.09387	1.3
157.06540	1.6
157.10150	22.7
158.10828	1.0
159.08089	2.5
159.11705	36.5
161.09616	2.3
161.13261	16.9
163.11171	5.5
163.14737	5.0
165.07022	1.8
165.12735	2.0
166.07793	1.4
167.08600	5.8
168.09393	1.8
169.10143	17.3
170.10799	1.6
171.11693	25.3
173.09648	2.2
173.11826	2.2
173.13252	17.9
175.11237	2.8
175.14845	7.2
177.12822	2.5
178.07846	1.3
179.08580	2.5
179.14371	2.9
181.10088	8.9
182.10927	1.9
183.11707	17.1
184.07349	3.9
185.09679	1.5
185.13266	16.0
187.11198	1.7
187.14783	8.3
189.11275	2.0
189.12808	2.4
189.16393	3.7
191.14383	1.7
193.10179	4.6
193.15791	1.0
195.11739	8.2
195.13638	2.0
196.12448	1.2
197.13263	13.7
199.14810	9.5
201.16437	3.9
203.17972	1.2
205.10072	1.5
205.15886	1.6
207.11760	3.0
209.13251	7.2
211.14825	8.2
213.16444	4.9
215.18073	2.0
219.39175	1.0
221.13303	3.9
221.15283	1.0
223.14980	6.4
225.16383	5.8
227.12845	3.5
227.17992	3.7
229.14349	4.5
229.19432	2.4
231.17523	1.4
231.21111	2.5
233.13300	1.7
233.19275	1.1
235.14848	3.1
237.16431	3.5
239.17996	5.4
241.15929	1.2
241.19543	11.6
243.17496	1.4
243.21040	1.1
243.57332	1.0
245.13577	1.2
245.19075	1.4
247.20522	1.4
249.16452	1.9
251.18036	2.8
253.19623	1.8
255.17503	1.7
257.19034	7.3
259.20590	23.9
260.21002	1.2
260.46652	1.1
261.22202	5.7
263.17941	1.3
267.15900	1.9
269.17282	8.5
271.17200	1.4
271.20477	0.9
273.18588	2.0
273.22263	1.4
275.20093	8.3
277.21738	3.0
279.21103	2.3
283.20660	2.5
287.20224	1.2
289.21649	1.3
291.19525	8.5
297.22229	2.7
299.20221	1.4
299.23840	1.9
301.21631	1.7
307.20419	1.1
309.22067	2.3
311.23761	2.6
313.21594	1.1
315.23221	3.9
327.23413	1.5
327.27011	1.6
331.22778	1.9
333.24271	19.1
335.25854	13.6
337.25125	2.0
339.26730	1.3
349.23703	5.5
351.26450	1.3
353.24713	1.5
355.26178	1.4
363.26816	1.4
365.23706	4.8
365.28204	1.5
379.29770	1.1
403.29568	1.7
417.31625	1.4
433.30426	1.6
435.32639	5.6
453.33606	3.0
471.34872	2.2
499.33585	1.8
501.35852	2.1
513.35846	5.2
515.37805	3.1
517.40601	3.6
525.35590	1.3
527.37372	18.6
531.36914	1.8
533.40558	1.6
535.41711	1.6
539.37360	2.2
545.38245	6.5
590.18799	1.2
591.44189	3.3
607.43579	9.0
609.45203	39.0
610.45551	2.2
611.44971	1.1
625.44690	14.0
643.45612	2.1
771.50568	1.7
841.46320	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08167	1.5
61.02922	3.8
61.91924	1.6
65.03951	4.3
67.05505	83.6
68.05849	1.9
69.03436	10.8
69.07069	36.5
71.04986	8.7
71.08605	1.9
73.02901	1.6
77.03970	2.5
79.05493	80.4
81.03429	13.0
81.07057	100.0
83.04980	11.8
83.08615	16.9
85.02907	7.2
85.06535	3.1
91.05481	77.1
92.05816	2.4
93.07047	89.1
94.07375	2.2
95.04968	17.3
95.08609	56.3
97.02915	4.1
97.06534	17.9
97.10180	9.1
98.23505	4.6
99.04464	2.1
99.08092	5.7
103.05432	2.0
105.04553	5.0
105.07034	82.4
107.04980	7.6
107.08593	50.5
109.06509	7.7
109.10161	20.0
111.08084	5.6
115.05466	2.4
117.07015	30.1
119.08585	60.4
121.06546	3.3
121.10139	33.8
123.08074	5.5
123.11730	6.0
125.09653	4.3
127.03976	3.9
128.06296	4.2
129.05511	2.5
129.07002	18.5
130.07745	1.9
131.08572	39.4
133.06499	3.1
133.10126	51.1
135.08061	7.1
135.11696	24.9
137.09642	5.1
139.11205	1.8
141.07011	7.1
142.07805	4.1
143.08577	17.2
145.06563	2.3
145.10133	36.0
147.08012	3.7
147.11684	36.7
149.09647	8.5
149.13264	19.1
151.11211	3.4
153.07047	1.6
154.07773	1.7
155.08539	10.4
156.09349	2.8
157.10124	20.3
159.11705	30.0
161.09691	3.9
161.13255	21.4
163.11215	6.4
163.14871	3.2
165.12790	2.9
167.08557	4.0
168.09433	1.8
169.10080	12.2
171.08078	2.3
171.11644	14.6
173.04518	3.0
173.13274	13.8
173.85472	1.7
175.11192	2.7
175.14838	7.0
177.12784	6.0
179.14307	1.9
181.10173	4.7
183.11748	12.4
184.07422	2.9
185.13272	10.4
187.14861	4.3
189.12752	3.2
193.10139	3.7
195.11765	5.0
195.13774	3.9
197.13274	8.7
199.14885	9.1
201.16446	2.0
203.14540	2.4
207.11790	2.2
209.13264	3.8
211.14835	4.5
213.14650	1.8
213.16441	5.7
221.13350	2.4
223.14871	3.1
225.16335	2.1
231.21141	4.5
233.13367	1.9
237.16431	1.9
237.73712	1.5
239.18002	2.8
241.19574	17.8
253.14267	2.8
255.15813	11.7
257.19101	7.5
259.20584	42.6
261.22205	3.0
267.15936	4.0
269.17429	23.1
275.20062	19.6
277.21588	2.5
289.21576	1.7
297.22195	2.4
299.23602	2.5
313.21677	2.4
315.23254	7.0
323.23611	2.0
333.24219	44.4
335.25803	3.9
339.23355	1.9
349.23755	11.5
365.23062	3.1
367.24866	6.8
417.31140	2.2
421.30762	2.8
435.32648	9.8
453.33609	6.3
471.34439	4.4
489.35806	3.3
491.34946	1.7
495.34421	1.9
509.36273	7.1
513.35779	18.4
515.37994	4.3
525.35657	2.7
527.37360	62.2
528.37653	3.2
531.37048	3.7
545.38458	13.4
607.43402	22.3
625.44379	24.7
653.40894	1.8
689.41882	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08179	1.8
60.81654	1.6
61.02928	6.0
65.03935	6.3
67.05505	92.6
69.03419	6.7
69.07065	34.5
70.55215	2.7
71.04985	6.5
73.02910	3.5
77.03937	2.6
79.05495	92.5
80.17990	1.5
81.03417	4.4
81.07056	81.8
83.04975	7.1
83.08621	18.1
85.02896	6.5
85.06543	7.4
86.09713	2.1
91.03951	3.0
91.05480	94.7
93.07047	90.4
95.04961	17.1
95.08610	69.0
97.02885	4.8
97.06545	12.4
97.10167	11.2
99.08086	9.1
103.05488	4.3
105.04518	4.9
105.07031	100.0
106.07334	1.6
107.04951	5.8
107.08595	49.8
109.06497	9.4
109.10155	27.1
111.08081	7.1
115.05450	8.5
116.06220	3.2
117.06197	2.0
117.07014	45.9
119.08580	67.6
121.06529	3.3
121.10139	30.6
123.08108	4.0
123.11714	6.5
124.99982	3.1
125.09627	7.8
127.07581	1.7
128.06201	12.4
129.05467	2.0
129.07001	35.4
130.07755	3.2
130.92152	1.5
131.08568	53.2
133.06520	3.4
133.10136	44.7
133.11142	3.1
135.08076	4.5
135.11705	17.2
137.09605	2.3
141.06979	11.0
142.07784	8.3
143.08568	34.2
144.09312	3.5
145.10127	51.1
147.08081	3.7
147.11679	33.8
149.09621	8.9
149.13293	9.3
151.11195	1.9
153.06970	2.6
154.07748	2.4
155.06018	1.9
155.08546	20.5
156.09309	3.0
157.10127	32.4
159.08076	2.5
159.11702	40.9
161.09660	4.6
161.13249	16.9
163.11194	5.2
163.14838	2.4
166.07785	2.9
166.10536	2.2
167.08578	12.6
168.09308	2.9
169.10127	24.4
171.11687	28.4
173.13255	16.4
175.11168	4.1
175.14841	7.8
177.12823	2.5
179.08533	5.0
180.09311	2.4
181.10109	16.5
182.10916	2.9
183.11723	18.7
184.07338	10.0
185.13258	24.4
187.11211	4.6
187.14841	8.3
189.12727	3.5
192.09273	1.8
193.10199	5.2
195.11697	14.8
196.12550	2.1
197.13248	17.2
199.14790	8.5
201.12738	2.6
201.16403	5.0
203.14311	5.0
205.15990	2.1
207.11719	5.0
209.13249	14.2
211.14891	10.2
213.12727	2.4
213.16406	4.8
215.17966	5.0
219.11562	2.5
221.13268	3.7
223.14850	9.7
225.16388	4.3
227.12761	4.2
229.14108	2.1
229.19495	3.9
233.13298	1.8
234.42798	1.9
235.14810	7.5
237.16455	8.4
239.17982	7.8
241.19563	5.5
247.14745	2.8
249.16388	3.4
251.17891	3.3
255.17575	2.3
257.18988	14.3
259.20547	17.3
261.21948	2.0
263.17725	2.7
273.18417	2.0
275.17947	1.9
275.20139	20.4
277.21405	2.9
313.21240	2.1
315.23187	4.5
321.21933	2.6
323.23712	2.2
331.22876	3.4
333.24274	26.9
335.26169	2.0
349.23712	14.4
363.26764	3.4
375.26764	2.2
379.26413	2.5
383.29584	2.5
407.29559	1.9
417.31778	3.0
435.32245	2.3
445.30301	2.9
447.32401	2.6
461.34192	3.1
473.32236	2.0
513.35815	7.2
515.38666	10.6
527.37140	7.7
533.39789	8.6
539.37238	7.4
541.38715	5.0
551.40735	3.3
553.38934	13.4
555.40283	2.8
567.40198	5.6
589.42114	3.3
607.43536	68.3
607.53516	3.4
608.43823	3.5
625.34979	3.0
625.44556	49.0
626.44757	1.9
769.48627	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.7
61.02919	2.7
65.03947	5.9
67.05506	100.0
69.03441	9.4
69.06706	3.1
69.07071	47.2
69.85685	1.4
70.69492	2.0
70.69817	1.9
71.04990	8.8
73.02897	2.3
74.80513	1.4
75.62299	1.4
77.03918	3.6
79.05497	94.2
81.03431	11.2
81.07057	94.1
83.04990	9.3
83.08621	24.2
85.02900	8.3
85.06554	6.2
91.05482	95.7
92.05796	2.4
93.07045	94.3
95.04971	20.4
95.08606	59.7
95.09219	3.0
96.08905	1.8
97.02876	7.0
97.06531	14.8
97.10163	15.2
99.04422	1.8
99.08098	3.9
103.05455	3.4
105.04527	6.1
105.07034	99.9
107.04958	10.5
107.08598	56.6
107.09328	1.6
109.02866	2.2
109.06530	7.8
109.10165	33.0
111.08086	4.5
115.05460	5.2
117.07023	35.7
119.08584	66.4
120.08943	2.0
121.06488	5.8
121.10148	32.5
123.08068	6.5
123.11718	7.6
125.09637	11.6
127.03917	4.1
128.06241	7.3
129.05519	2.0
129.07001	30.8
130.07756	2.1
131.08572	45.2
132.09280	1.6
133.06497	2.8
133.10136	59.5
133.11157	3.2
135.08037	6.2
135.11700	22.5
137.09618	3.0
141.07001	8.7
142.07796	6.1
143.08563	25.2
145.06464	3.4
145.10121	42.7
147.07982	4.1
147.11685	37.7
149.09633	13.7
149.13260	10.5
151.11208	3.6
152.85339	1.8
155.08588	15.0
156.09370	2.2
157.10118	23.7
159.08002	2.2
159.11684	31.9
161.09642	5.4
161.13286	20.4
163.11168	8.6
163.14824	3.7
165.12794	3.2
167.08524	6.2
168.09390	2.0
169.10138	18.5
171.10330	2.7
171.11707	22.6
173.04422	2.9
173.13268	17.6
175.11179	4.6
175.14832	6.8
177.12732	4.3
179.14355	2.4
181.10107	8.7
183.11696	15.0
184.07344	3.9
185.09567	1.9
185.13235	19.0
186.13925	1.9
187.11147	3.3
187.14847	6.2
189.11195	5.0
189.12723	2.8
193.10172	2.9
195.11728	9.1
195.13721	2.7
197.13264	14.0
199.14824	10.9
201.12737	2.6
201.16444	4.0
205.10228	1.7
207.11682	3.6
209.13269	6.9
211.14853	8.7
213.16426	6.4
215.17987	2.9
217.15808	2.0
221.13281	2.6
223.14848	5.8
225.16373	4.3
227.12695	9.3
229.14320	4.4
231.21021	2.6
233.13115	1.7
235.14902	3.7
237.16428	3.9
239.17967	5.4
241.19495	15.4
243.15976	2.7
245.13516	1.9
245.19023	2.1
249.16389	2.4
255.15855	3.0
257.19128	10.0
259.20560	41.0
261.22113	3.1
265.19531	1.7
267.16006	3.3
269.17368	7.7
273.18661	3.1
273.22067	1.8
275.20068	26.4
276.20538	2.8
291.19601	2.9
293.21005	2.5
311.23666	2.9
313.21591	2.4
315.23190	7.2
323.23633	2.5
331.22748	2.8
333.24243	39.9
334.24396	2.5
335.26117	1.9
339.23166	3.4
349.23801	21.3
350.24115	2.3
351.25259	1.9
363.26660	2.0
365.28558	3.5
367.25211	3.9
379.30084	2.0
409.31085	1.8
417.31412	4.6
421.30951	4.7
435.32559	4.5
439.31866	3.7
445.30048	2.1
453.33627	3.5
485.32086	2.8
495.34848	4.1
497.36655	2.1
501.34979	2.6
509.36301	3.3
513.35730	35.5
515.38300	7.6
525.35223	2.0
527.37323	41.2
528.37238	2.3
531.36407	3.8
533.39771	7.4
537.36047	2.9
539.37341	2.1
545.38129	6.2
551.40961	2.7
567.39868	2.3
597.44934	2.3
607.43579	52.2
625.44537	56.0
671.41248	2.9
787.49011	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.6
65.03942	5.3
67.05507	100.0
67.27009	2.1
68.61488	2.1
69.03426	22.4
69.06705	4.8
69.07069	58.0
71.04996	17.5
73.02914	5.0
77.03953	2.6
79.05494	83.3
81.03424	22.0
81.07059	91.3
83.04977	15.4
83.08614	14.1
85.02901	12.3
85.06552	5.4
91.05482	57.7
91.06059	3.6
93.06451	3.7
93.07048	82.5
95.04965	20.6
95.08610	60.1
97.02892	11.7
97.06531	91.0
97.10158	4.3
97.39878	2.0
99.04462	4.3
99.08083	7.9
103.05480	3.1
105.04531	3.7
105.07028	39.8
107.04935	11.5
107.08588	39.3
109.02869	5.0
109.06501	18.1
109.10163	23.0
111.08073	7.4
113.05983	3.0
115.07575	27.2
117.07033	21.3
119.08581	33.0
121.06534	5.4
121.10136	26.3
123.08093	5.7
123.11726	6.4
127.03947	7.0
127.07604	2.5
128.06277	3.6
129.05530	2.1
129.07021	7.3
131.08592	26.0
133.06509	6.3
133.10133	26.7
135.08032	10.1
135.11714	14.3
137.09615	4.4
143.08563	8.6
145.06508	3.1
145.10106	17.0
147.08064	6.5
147.11708	12.9
149.09650	7.9
149.13263	13.2
155.08545	3.4
157.10147	7.0
159.11722	16.9
161.09697	5.5
161.13301	6.3
163.11235	3.6
163.14919	3.1
169.10115	4.8
169.84758	2.4
171.11702	7.9
173.04500	8.6
173.13286	7.6
175.11227	4.7
175.14833	3.7
177.12796	6.2
182.69330	2.2
183.11743	4.6
184.07327	3.1
185.13309	6.9
187.11188	2.8
189.11153	2.1
195.13817	3.3
199.14755	4.4
201.12819	3.7
217.15921	7.4
233.15497	3.9
240.56613	2.4
245.18973	5.5
253.14467	3.1
255.17650	4.3
259.20547	4.4
261.22156	9.3
267.15857	2.2
269.17526	14.7
273.18491	33.4
274.18393	2.4
275.20325	4.9
279.15768	2.6
291.19537	18.0
307.19147	3.9
309.20660	3.3
335.25815	99.4
347.22128	12.9
365.23401	15.8
391.28546	3.7
515.37640	5.2
527.37360	3.1
529.38934	33.4
533.27649	2.3
533.39417	2.4
567.40320	4.5
571.31653	2.4
597.44586	2.8
607.43365	9.4
609.45007	3.1
625.44470	27.2
643.45502	15.4
787.49237	3.2
823.44446	3.0
841.32056	3.5
841.46924	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	2.2
59.07455	1.8
61.02924	3.0
65.03947	4.2
67.05505	67.0
67.05868	3.8
69.03413	7.4
69.07066	27.6
71.04982	2.7
73.02920	2.5
79.05490	61.0
81.03411	4.2
81.07056	56.6
83.04970	5.6
83.08617	24.8
85.02909	5.6
85.06539	3.1
86.09705	10.7
91.05479	50.0
93.07050	55.7
95.04987	9.4
95.08609	38.5
97.02869	1.9
97.06529	7.4
97.09589	3.1
97.10164	30.8
105.04469	3.0
105.07030	58.8
107.04939	4.4
107.08595	54.6
109.02905	1.8
109.06514	5.3
109.10160	23.8
111.08097	4.7
115.05452	2.3
117.07016	23.2
119.08584	47.1
121.06501	2.1
121.10141	18.1
123.08042	3.5
123.11720	11.2
125.00013	4.7
125.09634	25.6
128.06219	2.6
129.06996	12.8
130.07758	1.9
131.08568	30.9
133.06389	1.7
133.10133	37.3
135.08069	6.2
135.11685	11.9
141.07016	4.9
142.07845	2.1
143.08566	15.6
145.10130	29.3
147.08040	2.1
147.11687	25.1
147.12733	2.7
149.09621	7.9
149.13245	7.0
151.11176	3.7
153.09113	2.0
155.08559	7.7
157.10139	13.3
159.11693	21.3
161.13248	13.5
163.11148	2.0
167.08589	3.4
168.29515	2.0
169.10139	10.1
171.10283	2.9
171.11667	16.6
173.11844	2.7
173.13205	12.4
175.14896	5.2
177.12772	2.1
178.99185	1.8
181.10117	4.5
182.10864	2.8
183.11688	12.1
184.07370	23.3
185.13274	16.5
187.13313	4.0
187.14839	6.5
189.11220	12.6
193.10127	2.7
195.11668	6.5
197.13252	12.3
199.14813	7.7
209.13275	5.8
211.14822	6.5
213.16383	5.6
215.17972	2.6
221.13173	2.9
223.14795	4.4
225.16376	5.0
227.12761	20.1
227.17903	2.6
231.21030	2.0
235.14819	3.1
237.16414	3.0
239.17929	5.0
239.80708	1.9
241.19592	9.0
243.15941	6.2
245.13863	3.4
253.19559	2.2
255.17302	2.0
257.18982	5.6
259.20551	24.3
275.20102	19.9
277.21783	2.3
281.19101	1.9
311.24072	2.4
313.21741	2.5
315.23154	3.3
329.24576	2.0
331.22693	3.2
333.24252	22.6
344.26318	2.1
349.23730	14.9
351.25137	2.9
363.26819	2.3
365.28265	12.0
381.31592	3.1
383.29361	3.4
389.17941	2.1
421.31110	3.2
433.31009	1.8
439.31921	5.4
495.34576	3.1
503.33600	4.7
513.35785	17.6
515.38544	5.7
517.35199	2.4
525.35645	1.9
533.39917	10.3
551.40857	2.0
553.38544	1.9
578.74323	1.8
589.42474	3.6
607.43524	60.9
608.44489	3.3
625.44611	100.0
626.44977	3.7
727.56622	2.0
795.51117	2.0
840.45282	5.5
841.46747	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	841.4714
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02928	3.2
67.05510	8.2
69.03447	2.4
69.07078	4.9
71.01353	0.7
71.05009	1.5
71.08633	0.7
71.43227	0.5
73.02936	2.5
79.05497	8.0
79.12560	0.6
80.05866	0.8
81.03437	2.6
81.07068	9.6
82.07428	0.7
83.04991	1.5
83.08651	1.9
85.02931	3.0
91.03960	2.1
91.05479	7.5
93.07053	8.2
93.07523	0.7
95.04995	1.5
95.08608	5.1
97.02919	3.3
97.06552	1.9
97.10166	1.0
101.02380	0.9
105.07041	6.9
107.05003	1.8
107.08584	4.4
108.08970	0.6
109.06551	1.1
109.10181	2.1
117.07058	1.9
119.08612	3.1
121.06570	0.8
121.10187	2.2
122.10479	0.7
123.08048	1.2
123.11739	0.8
125.09687	0.7
127.03927	1.1
131.08603	1.5
133.10170	4.3
135.08109	1.0
135.11740	1.9
141.57486	0.6
143.08727	0.7
145.10121	1.5
147.11768	1.5
149.09682	1.8
149.13400	0.7
151.11234	1.3
161.13300	0.9
163.11212	0.8
171.11821	0.8
179.14401	1.8
184.07405	1.9
187.41856	0.7
215.25783	0.6
220.50081	0.7
227.12761	0.8
241.95317	0.6
243.08383	4.3
269.17584	1.0
270.17709	0.8
275.20270	1.8
277.21896	0.9
291.19751	0.9
295.80539	0.7
315.19376	3.7
331.18753	0.8
369.33987	0.8
371.22134	2.7
387.21378	0.8
416.64902	0.7
468.49213	0.7
532.37677	0.7
533.27234	9.9
546.39099	1.6
549.26764	7.6
625.44763	1.2
626.45404	1.6
698.35901	0.8
746.64502	0.9
841.47083	100.0
842.47485	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	841.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05015	0.5
61.02931	2.6
66.27377	0.4
67.05512	7.1
67.80364	0.4
69.03449	2.2
69.07074	5.2
71.05003	0.6
71.08636	1.3
73.02930	2.5
79.05495	5.8
79.06475	0.4
81.03420	2.3
81.07061	7.0
82.07390	0.7
83.05003	1.6
83.08636	1.8
84.55978	0.3
85.02922	2.6
85.06563	0.4
87.04498	0.5
91.03981	1.3
91.05478	4.3
91.34404	0.3
93.07050	6.2
94.07406	0.5
95.01363	0.6
95.04991	1.4
95.08610	4.1
97.02905	3.3
97.06557	1.7
97.10204	1.4
99.04512	0.4
99.08121	0.7
101.02406	1.0
105.04537	0.5
105.07037	4.7
105.57896	0.4
106.07383	0.7
107.04988	1.5
107.08596	3.4
109.02898	0.4
109.06542	0.6
109.10181	1.9
111.08115	0.6
115.05470	0.4
117.07040	2.1
119.08592	3.1
121.06526	0.5
121.10184	1.7
123.04365	0.4
123.08119	0.5
125.09668	1.2
127.03976	0.8
129.07085	0.7
131.08595	1.9
133.10150	3.1
135.08067	0.6
135.11742	1.6
137.09662	0.4
138.93655	0.4
143.08600	0.5
145.10094	1.8
147.08107	0.4
147.11749	1.4
149.08490	0.4
149.09676	1.3
149.13289	0.9
151.11205	0.6
151.62816	0.3
159.11783	1.4
161.13310	0.5
163.11215	1.0
171.11653	0.4
173.13275	0.6
179.14291	2.7
180.14740	0.6
184.07437	1.0
185.04221	0.6
185.13361	0.4
223.13385	1.3
243.08412	4.1
269.17706	0.5
275.20193	1.2
276.20740	0.4
277.21793	1.0
278.21976	0.6
278.85571	0.4
285.18347	0.5
286.68280	0.4
291.19708	1.5
297.85410	0.4
313.08859	0.4
315.19275	2.4
331.18942	1.5
335.25864	1.0
349.24265	0.4
351.25461	1.2
352.25732	0.8
371.22064	1.5
533.27222	9.4
533.35339	0.5
543.17633	0.4
544.37506	0.4
545.38367	1.1
546.38654	1.9
549.26819	4.5
626.44684	2.4
631.80029	0.4
841.47076	100.0
842.47333	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	841.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.3
65.03944	0.5
67.05497	4.6
68.01662	0.5
69.03439	2.7
69.07062	3.2
71.04948	0.6
71.87099	0.5
73.02914	2.5
79.05486	4.9
81.03431	1.8
81.07061	5.8
83.04976	1.0
83.08610	1.1
85.02896	2.7
91.03990	1.7
91.05489	4.5
93.02670	0.4
93.07034	4.0
95.04974	1.7
95.08597	3.9
97.02874	3.3
97.06548	1.8
101.02370	1.4
105.07030	4.7
107.04990	1.7
107.08625	1.9
109.02891	0.8
109.06498	1.1
109.10178	1.9
117.07041	1.8
119.08598	2.3
120.08979	0.6
121.06516	0.6
121.10179	1.3
122.55850	0.5
123.08138	0.8
127.03908	0.9
129.07030	0.8
131.08560	1.5
133.10143	2.9
135.08040	0.5
135.11682	1.0
143.08554	0.6
145.10175	1.8
147.11754	1.1
149.09624	0.9
149.13312	0.5
151.11214	0.5
156.12321	0.6
157.10147	0.6
159.11720	1.0
161.09708	0.6
161.13332	0.5
177.12770	0.5
178.98500	0.4
179.14412	0.5
185.26309	0.5
193.12253	1.2
203.05295	0.6
243.08450	2.8
273.18619	0.7
275.20218	1.0
315.19321	2.9
318.87726	0.5
331.18893	1.7
335.25974	0.7
371.22043	1.2
387.21338	1.0
451.19559	1.1
472.56274	0.5
531.25916	1.7
533.27191	8.4
549.26733	3.7
605.29553	1.2
740.00104	0.6
743.39514	1.9
772.40399	0.7
823.46008	6.6
841.46985	100.0
842.47308	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	842.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.3
60.08175	2.1
60.17142	1.1
60.42665	1.1
61.02929	3.1
65.03938	3.0
67.05507	100.0
69.03442	6.1
69.06705	2.2
69.07070	29.7
71.04986	3.4
71.07384	1.2
71.08637	1.5
73.02919	1.3
77.03933	1.3
79.05493	56.6
80.54881	1.0
81.03418	6.2
81.07056	77.7
83.04973	6.4
83.08616	16.8
85.02892	2.9
85.06548	3.3
86.09707	9.0
91.03965	1.9
91.05481	40.4
93.07048	64.8
95.04971	9.5
95.08607	48.6
97.02905	2.6
97.06537	11.5
97.10162	8.9
99.04491	2.5
99.08102	3.8
105.04533	2.7
105.07027	30.1
105.07730	1.5
107.04961	4.1
107.08590	41.8
109.06518	6.3
109.10157	48.6
111.08102	5.6
115.05486	1.7
117.07005	12.1
117.37366	1.2
119.08579	28.2
121.06537	2.1
121.10146	27.7
123.08093	3.3
123.11703	9.2
124.99994	6.0
125.09599	8.2
127.03943	1.7
129.07036	5.0
130.07713	1.5
131.08577	22.4
133.10133	23.1
135.08067	3.5
135.11681	16.0
137.09630	4.5
137.13261	1.5
141.07030	1.5
143.08566	5.9
145.10138	16.5
147.11676	16.3
149.09628	5.7
149.13277	14.6
151.11134	2.3
155.08536	2.6
155.10672	1.8
157.10118	6.9
159.11693	14.8
160.90282	1.1
161.09595	2.3
161.13242	10.1
162.09616	1.1
163.11212	4.6
163.14778	3.3
165.12808	1.8
169.10143	3.3
171.11693	5.2
172.79028	1.0
173.11755	7.7
173.13280	10.2
175.11172	1.4
175.14830	3.3
177.12689	2.9
177.16359	1.4
179.14371	1.6
183.11716	3.4
183.13403	0.9
184.07341	34.1
185.13284	3.8
187.14853	3.3
189.11263	2.0
189.16370	1.6
195.13829	1.9
197.13223	3.2
198.47649	1.0
199.13231	1.3
199.14885	2.5
201.16347	2.6
209.13225	1.2
211.14754	1.5
213.16508	1.3
225.16417	1.2
227.12773	8.0
229.14357	37.4
239.18050	2.2
241.19649	2.3
243.21155	3.4
247.20384	1.1
257.18961	3.3
259.20547	3.8
261.22192	13.1
267.16006	1.5
269.17487	22.5
275.20032	22.7
277.21765	1.8
293.21140	3.6
317.24722	2.9
333.24298	5.6
335.25803	71.7
336.26288	1.9
349.23724	14.2
351.25577	1.8
367.24875	12.8
435.32629	1.5
453.33380	1.9
471.34378	2.8
489.35788	23.2
490.36008	1.1
501.36041	2.0
507.36853	3.3
511.37802	1.9
515.37231	5.8
527.37390	11.7
529.38934	38.3
545.37585	2.0
547.39941	1.6
549.26508	1.5
569.41821	1.5
609.45178	26.0
627.46252	21.4
842.47058	9.7
843.48474	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	843.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09315	0.3
61.02927	7.7
67.05505	3.6
69.03434	4.9
69.07066	0.9
70.06603	0.5
71.01363	0.6
71.04993	0.9
73.02916	4.1
79.05102	0.4
79.05481	2.4
81.03417	4.1
81.07064	4.3
83.01376	0.6
83.04973	1.1
83.08649	1.1
85.02906	7.9
90.81001	0.4
91.03958	5.7
91.05482	2.9
93.07051	2.7
95.04942	0.9
95.08632	1.1
97.02900	8.0
97.06538	0.7
98.23553	0.6
99.04469	1.3
101.02369	2.2
105.07059	1.6
107.04979	0.5
107.08629	1.6
109.02901	1.1
109.06499	0.4
111.08059	0.6
115.03940	0.7
117.07020	0.7
119.08605	1.3
121.10171	1.2
125.32859	0.3
127.03908	2.3
129.07031	0.7
131.08585	1.2
133.10211	1.1
135.11746	0.4
145.05000	0.8
147.11748	0.8
149.13287	1.1
157.10118	0.9
159.11673	0.5
175.11197	0.7
177.12743	0.5
185.04314	0.7
190.37079	0.4
193.12285	1.6
195.13829	0.7
203.05334	0.8
205.45334	0.4
211.13408	0.7
229.13593	0.6
235.13150	1.7
238.44069	0.4
243.08418	2.9
251.12561	1.2
269.12521	0.5
269.17490	1.0
307.15189	0.8
326.45749	0.4
347.09555	3.8
363.09088	0.7
365.10678	0.6
405.13647	7.2
453.20972	8.4
469.20477	11.1
615.26233	6.2
631.25653	7.6
681.34338	3.1
843.39752	100.0
844.40143	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	843.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
71.43938	2.8
72.72372	1.8
85.02882	2.6
91.05525	2.1
95.05015	1.6
109.10178	3.1
131.00226	1.7
133.88095	1.7
140.79204	1.7
159.03352	1.7
171.03299	1.7
229.14560	2.1
267.09143	3.1
269.10419	2.0
285.10077	3.4
413.17816	3.9
501.16455	2.5
545.20154	5.0
589.22058	2.6
641.31439	24.5
673.34302	5.4
709.32660	1.9
715.33508	14.1
739.36566	26.2
757.33990	24.0
825.40271	3.9
843.41376	100.0
844.41931	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	843.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.0
67.05509	7.5
69.03426	2.3
71.04996	1.9
73.02914	2.2
78.41119	1.1
79.05488	3.3
81.03421	5.1
81.07050	2.1
83.08609	1.2
85.02919	5.2
86.09702	2.4
91.03972	3.3
91.05491	4.2
93.07056	1.9
95.04954	1.4
95.08625	1.9
97.02881	3.5
101.02407	2.4
105.07037	2.8
107.08620	1.5
109.10162	6.8
119.08614	2.3
121.10139	2.3
124.99998	2.0
127.03922	2.7
131.08531	1.2
133.10210	1.1
147.11703	1.1
149.09613	2.2
150.54028	1.0
157.10159	1.5
173.11775	1.4
179.47133	0.9
181.35834	1.0
184.07309	6.4
185.04282	2.0
193.12195	1.9
206.79147	1.0
212.50485	1.0
229.14359	2.0
243.08464	2.9
269.78143	1.2
283.15097	6.6
301.09076	2.6
381.18781	1.5
385.18320	1.4
399.19498	1.2
413.17874	16.8
427.19382	2.9
469.20346	1.5
501.23077	21.3
511.28577	1.5
529.22614	4.9
573.24994	3.0
643.32770	1.2
673.34082	100.0
674.33887	4.0
701.37128	3.5
729.36047	2.8
796.44989	1.1
843.43427	26.3
844.42255	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	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02827	4.1
61.03160	1.0
67.05398	5.2
69.03321	2.2
69.06966	2.4
69.65984	0.5
71.08564	0.7
73.02805	3.5
79.05379	4.6
81.03304	2.6
81.06943	5.3
83.04887	1.5
83.08533	1.1
85.02781	3.7
86.09653	0.6
91.03841	1.8
91.05359	5.7
93.06923	5.4
95.04855	1.5
95.08475	3.0
97.02760	4.2
97.06425	0.9
99.04379	0.8
99.07967	0.7
101.02251	1.9
103.03866	0.6
105.06904	5.0
107.04842	1.5
107.08443	3.2
109.02797	0.6
109.10064	1.2
117.06897	1.5
119.08582	3.4
121.10029	1.0
124.99895	0.5
127.03786	1.7
129.06937	0.9
129.76413	0.5
131.08437	1.8
133.10136	3.2
135.11595	1.1
136.76826	0.6
143.08508	0.6
145.10004	0.9
147.11668	2.7
149.13121	0.7
151.11070	0.9
159.11566	0.8
161.13120	1.2
171.11540	1.8
171.12851	0.5
172.68202	0.5
179.14308	2.6
184.07242	1.6
185.04048	0.8
193.12045	0.6
218.04012	0.6
243.08443	4.3
247.12984	1.2
249.93315	0.6
275.20035	1.3
277.21619	1.4
278.21506	0.5
301.08881	0.8
303.15616	0.8
315.19275	6.7
341.20929	0.7
352.25613	0.7
371.21890	1.1
411.01462	0.5
465.20993	14.9
527.49573	0.6
533.27209	16.9
535.28870	1.4
545.38477	0.9
546.38428	1.0
551.28064	1.8
557.58203	0.7
577.35016	0.7
595.36761	1.1
605.29791	0.7
623.35498	1.1
628.46552	1.1
677.35089	0.9
727.40314	2.2
728.40088	0.6
729.41766	0.9
745.41571	3.3
756.40704	1.4
757.41339	100.0
758.41925	3.7
825.47577	10.9
826.48322	1.3
843.47491	93.3
844.47412	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	843.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67382	0.4
61.02932	3.6
67.05502	4.7
69.03439	2.1
69.07063	3.8
71.01363	0.6
71.04988	0.9
73.02923	2.9
79.05489	4.9
81.03428	1.8
81.07057	4.7
83.04981	0.7
85.02905	3.8
91.03968	1.6
91.05490	3.8
93.07051	3.6
95.04994	1.4
95.08611	2.1
97.02907	3.7
97.06554	1.1
99.04467	0.6
101.02415	1.1
104.32180	0.4
105.07022	3.7
107.04977	0.4
107.08581	2.3
109.02918	0.7
109.06549	0.5
109.10166	1.0
115.03999	0.6
117.07037	1.0
119.08570	2.3
121.10166	0.5
123.08131	0.6
123.11830	0.5
127.03951	0.9
129.07076	0.7
131.08603	1.4
133.10144	2.0
134.65437	0.4
135.11732	1.0
145.10146	1.1
147.11699	0.6
149.09677	0.9
149.13312	0.6
159.11736	0.9
161.13324	0.5
163.11160	0.6
165.44341	0.5
179.14340	0.5
184.07434	1.5
185.04208	0.9
203.05463	0.5
231.87619	0.4
243.08434	3.4
259.08093	0.5
265.02679	0.4
275.20111	0.7
315.19278	3.8
323.68384	0.5
333.20486	1.5
371.22174	1.2
389.23343	0.4
439.19608	1.8
453.21127	1.2
469.20874	0.4
533.27155	7.2
533.34393	0.6
551.28302	7.5
616.97369	0.5
843.48602	100.0
844.49225	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20426	0.3
61.02934	3.7
65.03949	0.4
67.05509	8.8
68.05848	0.9
69.03445	2.4
69.07072	4.5
71.01359	0.5
71.04992	0.7
73.02931	2.8
77.03948	0.4
77.37971	0.4
79.05494	6.5
80.05859	0.5
81.03429	1.4
81.07059	8.5
82.07405	0.5
83.05003	1.2
83.08646	1.6
85.02914	3.9
85.06555	0.3
86.09736	0.7
87.89529	0.3
91.03954	2.2
91.05490	6.5
92.05837	0.4
93.07050	7.5
94.07388	0.4
95.04993	2.0
95.08614	5.5
96.08955	0.8
97.02902	3.4
97.06556	1.0
97.10189	0.9
99.04496	0.8
101.02409	1.7
105.04544	0.5
105.07050	4.5
107.04986	0.7
107.08598	3.9
108.08965	0.6
109.02917	0.7
109.06586	0.4
109.10162	3.5
113.43440	0.3
117.07044	1.4
119.08566	3.2
121.10145	2.1
122.10528	0.5
123.11744	0.8
125.09670	1.0
127.03952	0.8
129.05467	0.5
129.07019	0.7
131.08632	1.6
133.10127	2.4
135.08041	0.3
135.11656	1.9
143.08629	0.6
145.10181	1.6
147.11714	1.6
149.09689	0.6
149.13284	0.9
157.10178	0.5
158.10576	0.4
159.11751	1.5
161.13205	0.9
163.14841	0.4
171.11646	0.4
173.13405	0.7
175.15015	0.5
184.07425	1.1
185.04286	0.8
223.13383	0.9
229.14392	1.0
243.08394	3.4
259.20721	0.9
261.22217	0.7
269.17493	1.1
275.20123	1.1
291.19797	0.7
301.09177	0.9
327.10864	0.4
331.18903	2.4
333.24542	0.6
335.25708	3.3
336.26221	2.8
349.23932	0.6
350.24338	0.5
367.24924	0.5
368.25235	0.4
397.18661	0.5
414.15298	0.4
423.20404	0.4
465.21350	1.1
489.35818	0.6
490.36337	1.0
525.22876	0.4
529.39117	1.6
530.39117	3.4
533.27325	1.0
535.28882	6.8
549.26740	3.6
551.28656	1.0
609.45099	0.6
610.45752	1.4
621.29376	1.3
628.46790	1.5
635.31293	0.4
728.42163	0.4
773.40997	0.5
843.48633	100.0
844.48785	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	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.9
65.03945	0.2
67.05511	3.1
69.03432	2.2
69.07083	1.4
71.04994	0.4
73.02918	2.7
79.05499	3.4
81.03424	1.1
81.07050	2.9
83.04973	0.3
83.08642	0.6
85.02911	3.2
85.06572	0.2
85.64355	0.2
87.04449	0.3
91.03953	2.5
91.05480	3.5
93.07053	3.2
95.04988	0.9
95.08620	2.1
97.02895	3.2
97.06533	0.3
97.10133	0.3
99.04487	0.6
101.02390	1.0
105.04547	0.3
105.07031	3.1
107.04964	0.3
107.08589	1.6
109.02905	0.4
109.06543	0.7
109.10168	0.8
115.03934	0.2
117.07048	0.9
119.08588	1.7
121.06549	0.3
121.10149	1.1
123.08110	0.2
123.11758	0.3
127.03925	1.1
129.07066	0.4
131.08589	0.9
133.10141	2.3
135.11729	0.9
143.08580	0.3
145.10205	0.6
147.11681	1.2
149.09645	0.3
149.13333	0.4
151.11235	0.5
157.10170	0.4
159.11777	0.5
161.09656	0.4
161.13248	0.4
171.11777	0.4
175.11237	0.5
184.07390	0.5
185.04268	0.8
193.12320	0.6
195.13844	0.2
203.05307	0.3
241.06783	0.3
243.08401	2.7
256.56351	0.2
273.18533	0.3
301.08844	1.5
313.09036	0.2
313.17780	1.1
315.10629	0.7
317.20972	0.3
331.18820	2.5
341.12241	0.3
355.13834	0.3
357.15341	0.4
369.15436	0.3
371.16959	0.4
373.11078	0.5
383.16885	0.4
385.18268	0.3
387.21536	0.5
397.18683	0.3
429.17319	0.3
443.62750	0.2
451.19525	1.0
465.21021	0.7
481.77307	0.2
523.21375	0.2
531.25641	1.7
535.28741	5.2
549.26807	2.2
603.27820	0.4
607.30688	0.8
610.45685	0.3
621.28979	0.3
673.34033	0.3
745.41583	0.9
774.41760	0.5
825.47461	6.6
826.47748	0.4
843.48596	100.0
844.48956	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.1
65.03951	0.5
67.05505	5.9
69.03435	3.2
69.07063	4.7
69.17252	1.1
69.17649	1.0
71.04990	0.4
73.02917	4.0
79.05498	4.8
81.03407	2.3
81.07060	7.5
83.04998	1.0
83.08635	0.9
85.02913	4.5
85.06576	0.6
86.09718	0.4
87.04491	0.5
91.03961	2.9
91.05485	4.8
93.07044	4.9
95.01330	0.9
95.04981	1.3
95.08605	4.0
95.10054	0.4
97.02889	4.5
97.06541	1.3
97.10181	0.6
98.22658	0.7
99.04488	0.8
101.02389	2.1
101.21093	0.4
105.04575	0.4
105.07038	4.8
107.04987	1.1
107.08575	2.4
109.02895	0.7
109.06541	0.6
109.10154	1.8
113.09630	0.4
117.07047	1.5
119.08579	3.6
121.10161	1.5
123.08060	0.6
125.00041	0.6
125.09648	0.5
127.03961	1.2
129.07080	0.5
130.19435	0.4
131.08530	2.1
133.10120	2.7
135.08099	0.5
135.11720	1.6
137.09674	0.6
145.04939	0.5
145.10184	1.1
147.11743	1.3
149.09639	1.0
149.13257	0.7
157.10199	0.4
159.11740	0.8
161.13251	0.4
163.11206	0.8
173.13240	0.4
177.12779	0.4
179.14395	1.3
184.07300	2.3
185.04251	0.9
203.05266	0.7
243.08411	5.2
275.20135	1.2
285.18250	0.7
291.15805	0.4
301.09259	0.5
315.19308	5.0
333.20288	1.9
371.21841	2.0
389.22870	0.7
439.19565	1.5
453.20932	2.3
469.20514	0.6
533.27246	12.5
535.28796	1.0
549.26874	1.0
551.28168	6.1
745.42328	0.5
843.48584	100.0
844.48840	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	1.5
61.02939	3.0
67.05495	4.7
69.03431	3.0
69.07076	2.2
70.42059	0.8
71.04985	1.2
73.02920	3.0
79.05501	4.6
81.03407	1.2
81.07064	3.3
83.04987	1.4
83.08627	1.3
85.02896	2.3
85.06556	1.1
86.09710	6.4
91.03974	2.1
91.05493	5.1
93.07026	4.7
95.05003	2.5
95.08618	2.2
97.02909	2.7
97.06545	1.1
98.98492	1.4
101.02393	1.1
105.07054	3.8
107.08599	2.5
109.06551	2.2
112.90492	0.9
113.06023	3.4
119.08616	2.2
121.10139	1.2
125.00043	3.8
131.08614	1.8
133.10110	1.6
135.08075	1.7
144.94482	0.9
145.10115	1.1
145.33005	0.8
147.11742	1.6
149.09636	1.2
184.07352	18.1
184.08867	1.3
185.07733	2.0
218.40353	0.9
243.08475	2.6
244.17015	1.1
301.09088	1.4
315.10617	1.3
331.18777	4.3
387.21646	1.1
465.20953	1.2
535.28925	7.2
542.34192	1.0
549.26636	7.3
605.52911	1.0
621.27966	1.1
813.76251	0.9
843.48566	100.0
844.48914	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	843.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.2
65.03931	0.6
67.05508	5.2
69.03423	2.3
69.07064	3.9
69.08264	0.4
71.04975	0.8
73.02923	2.8
75.48857	0.4
78.16441	0.4
79.05489	6.7
81.03426	2.4
81.07056	6.5
83.04928	1.3
83.08578	1.0
85.02907	4.0
86.09685	0.9
87.04419	0.5
90.53663	0.4
91.03957	2.8
91.05482	6.0
93.06544	0.5
93.07039	5.7
95.04929	1.8
95.08604	3.8
97.02879	3.5
97.06490	1.3
97.10145	0.6
99.04411	0.7
99.08007	0.5
101.02348	2.0
105.06466	0.5
105.07027	4.6
107.04907	1.3
107.08618	3.1
109.06488	1.0
109.10101	1.4
111.08064	0.5
117.06953	1.0
119.08565	2.9
121.06451	0.5
121.10136	1.1
123.08069	0.8
124.99978	0.6
127.03876	1.3
129.05464	0.6
129.06961	1.2
131.08542	1.7
133.10117	2.5
135.11665	0.9
143.08492	0.5
145.10120	1.0
147.11656	2.4
149.09528	0.5
149.13222	0.7
159.11664	0.8
161.13141	0.7
163.11110	0.9
171.11655	1.0
179.14215	1.7
181.04732	0.5
184.07333	2.1
185.04216	0.7
209.25255	0.4
209.83101	0.5
222.34175	0.5
233.30751	0.5
243.08412	3.3
247.13103	1.3
275.20032	0.9
277.21606	1.3
278.21973	0.5
281.17383	0.5
287.16022	0.5
301.08997	0.8
315.10754	0.6
315.19318	5.8
351.25226	0.8
352.25497	0.7
355.22482	0.9
371.21896	1.4
465.20972	13.2
470.85452	0.6
533.27167	14.9
535.29236	0.7
537.22839	0.7
546.38678	1.8
549.25958	0.6
551.27875	1.8
577.35516	1.0
595.36157	0.9
621.31610	0.5
623.34668	0.4
628.46594	1.3
677.35480	0.6
727.40149	1.6
728.40356	0.5
745.41370	4.0
746.43207	0.5
756.41809	0.9
757.41302	95.8
758.41718	4.7
825.47546	10.7
843.47180	100.0
844.46875	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	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.7
65.03945	0.5
67.05502	4.0
69.03419	2.6
69.07053	1.6
71.04994	0.6
71.80843	0.3
73.02903	2.7
73.03225	0.3
76.98952	0.3
78.00892	0.3
79.05489	4.9
81.03439	1.6
81.07061	4.3
83.04997	1.0
83.08630	0.5
84.31182	0.3
85.02899	4.4
85.03353	0.4
85.06556	0.4
86.09700	0.3
87.04488	0.4
91.03957	2.8
91.05486	3.7
93.07042	4.8
95.05007	1.0
95.08603	2.7
97.02888	3.8
97.06546	0.3
97.10198	0.3
99.04459	0.7
101.02384	1.8
105.07027	2.9
107.04948	0.5
107.08580	2.5
109.02883	0.5
109.06528	0.5
109.10194	0.9
116.05870	0.3
117.07035	1.1
117.90590	0.3
119.08568	2.8
121.10138	1.7
127.03960	1.2
129.05588	0.4
129.06979	0.4
131.08595	1.1
133.10130	1.8
135.08038	0.3
135.11725	1.2
140.93953	0.3
143.08527	0.3
145.10190	1.0
147.11746	1.3
149.09692	0.3
149.13271	0.8
157.10115	0.3
159.11813	0.7
161.13307	0.6
171.11705	0.5
173.13359	0.4
184.07376	2.0
185.04269	0.9
185.13269	0.4
195.13721	0.4
203.05304	0.7
221.71207	0.3
228.86336	0.4
241.07098	0.3
243.08365	4.6
243.10468	0.3
259.20761	0.5
301.08917	2.2
313.09027	0.5
315.10739	0.9
317.20999	0.5
333.20355	3.1
333.23935	0.4
371.16956	0.4
373.11282	0.4
373.23727	0.7
386.89185	0.3
397.18448	0.5
429.17569	0.4
431.24377	0.6
437.21695	0.4
439.19540	0.9
453.21329	1.3
465.21158	1.3
469.20651	0.4
535.28748	8.8
535.37018	0.5
541.22247	0.6
551.28284	6.3
551.36578	0.4
586.47723	0.3
623.30334	1.6
651.33221	0.4
683.43835	0.3
747.42902	0.4
775.41309	0.4
845.50128	100.0
846.50470	6.2
854.95251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.5
65.03902	0.3
66.03590	0.3
67.05511	3.3
69.03436	2.1
69.07077	1.8
71.01377	0.5
71.05001	0.4
73.02934	2.7
79.05497	4.0
81.03429	1.7
81.07062	4.1
83.05010	0.5
83.08624	0.9
85.02911	3.8
91.03961	2.2
91.05481	3.1
93.07053	4.5
94.87688	0.3
95.04961	1.3
95.08607	2.4
97.02901	3.0
97.06545	0.5
97.10214	0.3
99.04467	0.5
101.02369	1.5
105.04556	0.5
105.07053	2.9
107.08596	2.3
109.02895	0.6
109.10177	0.8
117.07069	0.8
119.08614	2.0
121.06608	0.3
121.10192	1.2
127.03918	1.0
129.05548	0.3
129.07005	0.5
131.08595	1.4
133.10149	1.6
135.11742	0.9
142.87109	0.2
145.10109	0.6
147.11742	1.0
149.13257	0.3
157.10182	0.4
159.11768	0.6
161.13289	0.4
173.13235	0.3
184.07367	0.4
185.04294	1.0
189.48181	0.2
201.03917	0.4
203.05341	0.6
232.69626	0.3
243.08397	3.3
251.12772	0.3
256.82407	0.3
259.20602	0.4
268.86133	0.3
269.74792	0.3
301.08994	1.6
313.08951	0.4
315.10617	0.7
317.20963	0.7
333.20389	2.4
359.22150	0.3
371.17075	0.3
373.11084	0.5
373.23611	0.3
389.23050	0.7
397.18481	0.6
429.17258	0.5
431.24463	0.4
439.19696	0.9
453.21307	0.9
465.20959	0.6
469.19989	0.3
477.24695	0.4
535.28802	6.0
541.22699	0.5
551.28296	7.2
551.36591	0.5
576.22638	0.3
623.30646	1.4
651.33588	0.3
665.36121	0.3
666.41333	0.3
845.50226	100.0
846.50519	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	0.4
61.02923	3.3
67.05507	4.4
69.03432	2.9
69.07076	3.0
69.66657	0.9
71.01353	0.4
71.04993	0.6
71.07374	0.5
73.02917	3.3
79.05490	4.7
81.03433	1.6
81.07062	3.3
83.04987	0.8
83.08627	1.3
85.02912	3.8
86.09714	1.9
91.03973	1.9
91.05493	3.5
93.07047	4.9
95.04990	0.9
95.08627	1.9
97.02885	3.4
97.06565	0.6
97.10178	2.4
98.22822	0.6
99.04483	0.7
101.02390	1.8
105.04517	0.4
105.07017	3.3
107.08611	2.8
109.02903	0.7
109.06524	0.5
109.10186	0.8
111.08105	0.5
117.07006	0.8
119.08569	2.4
121.10190	1.3
123.08112	0.4
125.00032	1.2
125.09673	1.6
127.03955	1.1
129.07051	0.4
131.08618	0.6
133.10141	2.2
135.11746	1.4
145.10185	1.0
147.11739	1.4
159.11687	0.8
161.13318	0.7
165.77415	0.4
173.13365	0.4
175.14841	0.5
184.07349	6.4
185.04280	1.0
185.07814	0.9
189.11333	1.0
201.03755	0.5
243.08415	3.9
259.20685	0.8
286.33383	0.4
301.08960	2.5
313.09079	0.5
315.10629	1.2
317.21179	0.5
333.20374	8.7
333.24237	0.9
355.14053	0.4
369.15247	0.5
373.11160	0.6
373.23413	0.6
383.16574	0.4
385.18149	0.4
388.51382	0.4
389.22897	1.1
429.17627	0.8
431.24463	0.7
465.21075	0.9
481.20413	0.5
525.23315	0.6
535.28772	9.1
551.28290	8.5
551.36755	0.6
623.30621	1.1
665.34540	0.6
683.45453	0.6
747.43384	0.5
775.42706	0.5
845.50177	100.0
846.50623	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	1.2
61.02925	4.3
63.28691	0.2
65.03944	0.4
67.05502	4.3
69.03429	2.4
69.07066	2.0
70.00992	0.2
70.01324	0.5
70.95274	0.2
71.01368	0.4
71.04999	0.5
71.07379	0.6
73.02917	3.3
77.03931	0.2
79.05490	5.2
81.03422	1.1
81.07056	4.1
83.05000	0.6
83.08633	0.7
85.02901	4.2
85.06546	0.3
86.09706	4.5
86.10213	0.3
87.04463	0.3
87.10051	0.7
89.48145	0.2
91.03960	2.7
91.04500	0.2
91.05476	4.5
93.07040	5.2
93.07587	0.4
95.04970	1.4
95.08601	2.7
97.02889	3.6
97.03470	0.3
97.06548	0.4
97.10176	0.4
98.22794	0.3
98.98495	0.6
99.04482	0.5
99.08083	0.2
101.02371	1.7
103.03945	0.2
104.10767	0.8
105.04554	0.3
105.07030	3.9
107.04977	0.2
107.08581	3.0
109.02892	0.3
109.06524	0.3
109.10184	0.9
111.08112	0.3
115.03951	0.3
117.07015	1.3
119.08561	2.7
119.09295	0.2
121.10123	1.7
125.00003	3.4
125.09644	0.4
127.03925	1.2
128.06227	0.2
129.05492	0.3
129.07048	0.6
130.07762	0.2
131.08586	1.4
133.10129	2.6
135.08089	0.3
135.11668	1.1
136.65872	0.2
143.08597	0.7
145.10147	0.9
147.11719	1.3
149.13338	0.6
151.86356	0.2
157.10143	0.4
159.11745	0.8
160.11618	0.2
161.13321	0.7
171.11739	0.7
173.13348	0.3
175.14957	0.4
184.07333	16.6
185.04193	1.1
185.07666	2.2
185.13307	0.3
191.10497	0.2
201.03690	0.4
203.05397	0.6
241.06828	0.3
241.19696	0.2
243.08395	3.2
247.13173	0.5
259.07983	0.3
259.20721	0.5
300.71176	0.2
301.08972	1.4
313.09045	0.3
315.10602	0.6
315.19391	0.4
317.20990	0.6
327.10611	0.3
333.20343	4.4
355.13641	0.2
357.15463	0.2
369.15262	0.5
373.11093	0.5
373.23709	0.6
385.18552	0.5
389.23224	0.6
393.04251	0.2
397.18289	0.3
415.15759	0.2
429.17688	0.3
431.23962	0.2
437.21451	0.3
463.22824	0.3
465.20941	4.0
495.21951	0.7
525.23267	0.3
535.28778	7.7
536.29449	0.3
551.28131	4.7
552.28839	0.3
581.25934	0.2
623.30170	1.0
637.32001	0.4
651.33875	0.3
665.34686	0.4
707.39307	0.3
747.41559	0.3
759.43042	0.9
775.41986	0.3
776.54480	0.2
799.95190	0.2
827.52625	0.3
845.50116	100.0
846.50421	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	0.5
61.02929	4.6
67.05504	5.9
69.03430	3.6
69.07079	1.9
71.04987	0.9
73.02913	3.8
79.05495	4.0
81.03396	2.0
81.07061	5.0
83.05002	0.8
83.08623	0.7
85.02911	5.3
86.09708	2.1
91.03954	3.1
91.05492	2.0
93.07049	4.1
95.05002	1.5
95.08610	4.1
97.02898	4.4
97.06541	1.6
99.04478	1.2
101.02393	1.6
105.07053	1.7
107.08606	2.2
109.02897	0.9
109.10148	2.3
115.03954	0.5
117.07043	0.8
119.08630	1.0
121.10135	2.2
123.11684	1.0
125.00035	1.5
127.03948	1.4
131.08582	0.7
133.10120	1.1
135.11729	1.2
137.05783	0.5
145.10150	0.7
147.11661	0.5
149.13275	0.8
184.07338	7.3
185.04199	0.5
185.07741	1.1
199.33701	0.5
243.08401	2.1
335.26089	0.8
349.19843	9.3
349.23904	0.7
401.98444	0.4
405.22504	0.6
439.19672	0.8
453.20950	0.5
465.21011	0.6
519.29303	5.9
535.28882	0.8
567.27728	2.5
731.44073	0.6
759.43518	2.4
827.49133	0.5
845.50116	100.0
846.50232	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	845.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85399	0.4
61.02835	4.3
61.03169	1.0
62.80710	0.5
67.05400	5.9
67.05791	0.8
69.03322	3.6
69.06964	1.7
69.07282	0.6
71.01261	0.5
71.04917	0.9
73.02810	4.3
73.03247	1.2
76.61482	0.5
79.05380	6.0
79.05881	0.8
80.55781	0.4
81.03304	2.1
81.06943	5.9
81.07445	0.6
83.04881	1.2
83.08528	1.1
85.02788	5.5
91.03832	3.6
91.05363	5.2
93.06921	7.8
93.07558	0.7
95.04844	1.7
95.08485	3.0
97.02767	5.4
99.04356	1.3
101.02249	2.6
105.06904	4.7
107.04860	0.7
107.08583	3.1
109.06442	0.7
109.10052	1.1
114.70860	0.4
117.06906	1.1
119.08432	3.3
121.09999	1.9
127.03774	2.1
129.05399	0.6
129.06868	1.5
131.08434	1.6
133.10135	2.5
135.11598	1.2
143.08418	0.7
145.10020	1.0
147.11722	2.4
148.36554	0.5
157.10023	0.7
159.11597	0.8
161.13092	1.6
171.11552	1.8
173.13216	0.6
177.12575	0.5
184.07176	1.8
185.04013	1.7
189.12555	0.7
201.03468	0.6
203.05124	0.5
207.13602	0.5
243.08350	4.3
247.13065	2.6
259.20422	0.9
273.14383	0.7
281.17459	0.6
287.16241	0.6
301.08975	2.4
303.15475	0.6
315.10266	1.1
315.22726	0.5
317.20752	1.0
343.22351	0.8
357.14938	0.9
357.23703	0.7
371.16721	0.8
373.10916	1.1
383.16602	0.5
407.75693	0.6
429.17230	0.7
435.19122	0.5
437.21207	0.9
453.21085	0.7
465.20993	16.6
466.21808	0.6
481.20648	0.8
495.22076	1.0
509.16290	0.5
533.27277	1.4
535.28815	13.4
537.23022	1.7
537.30286	0.8
551.28033	2.2
565.27026	0.5
593.29108	0.9
597.37683	1.2
607.30896	0.8
621.32904	0.7
625.36975	1.1
637.31525	0.7
647.33252	0.6
661.34680	0.9
689.34998	3.2
707.36072	2.0
729.42279	2.5
733.41675	0.8
747.42981	4.5
758.41663	0.8
759.42834	100.0
760.43066	4.7
827.49005	12.6
828.50336	0.7
845.49280	62.3
846.49597	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	847.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.3
67.05512	5.0
69.03442	2.2
69.07067	1.6
71.01362	0.4
71.05023	0.6
73.02925	3.5
79.05498	3.3
81.03435	1.3
81.07059	5.0
81.07494	0.4
83.04975	0.4
83.08614	0.7
85.02917	3.7
91.03970	2.5
91.05505	2.5
93.07051	3.6
95.05002	0.8
95.08626	3.3
97.02907	3.7
97.10182	0.8
98.22626	0.8
101.02392	1.7
105.07047	1.9
107.08602	2.3
109.02885	0.9
109.10161	2.1
117.07069	0.7
119.08615	1.7
121.10134	1.6
125.09659	0.4
127.03948	0.8
129.99786	0.4
131.08624	0.8
133.10147	0.5
135.11734	1.0
147.11763	0.6
149.13246	0.6
160.75252	0.3
184.07404	0.9
185.04282	0.6
201.88176	0.3
203.05396	0.3
229.52695	0.4
243.08398	1.9
259.07904	0.5
265.05466	0.3
273.97797	0.3
283.06409	1.3
333.15268	1.1
333.20520	0.5
351.21765	1.0
373.11096	0.5
453.20810	0.4
482.81018	0.4
519.29309	2.4
535.29138	1.2
537.30481	2.2
551.28784	1.0
553.29944	1.4
569.29791	2.3
709.95526	0.4
847.51788	100.0
848.52228	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	850.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.1
67.05508	35.8
69.03429	2.9
69.07053	8.3
71.05002	3.3
73.02930	2.3
77.03899	2.1
79.05040	3.2
79.05495	57.2
81.03423	40.5
81.07063	40.8
83.04979	14.6
83.08622	14.9
84.21122	1.8
85.02907	15.2
85.06534	2.3
91.03927	2.6
91.05481	46.1
93.07046	50.7
95.04967	26.5
95.08607	20.2
97.02887	4.4
97.06536	4.6
97.10171	6.5
98.23403	1.8
103.05495	2.0
105.07032	32.2
107.04974	7.0
107.08600	15.3
109.06517	4.4
109.10164	4.4
111.04417	1.6
111.08059	8.3
117.07019	4.4
119.08588	20.4
121.06513	1.9
121.10134	7.1
123.08058	4.5
125.09698	1.9
128.06189	2.3
129.07004	13.3
131.08560	7.8
133.06505	2.3
133.10135	12.2
142.07745	1.5
143.08578	4.8
145.10124	4.9
147.08055	3.0
147.11696	33.1
149.09589	3.8
149.13313	2.2
151.03972	3.4
157.10110	7.2
161.09691	2.1
161.13219	6.4
163.11180	2.4
165.12704	1.8
171.11702	14.9
175.11198	5.4
189.12762	6.7
193.12257	21.9
199.03853	2.3
207.13812	21.9
211.13306	21.4
267.15921	26.2
269.17477	7.7
281.17471	84.7
285.16956	22.3
378.27737	1.7
423.16388	6.2
473.28986	100.0
474.29111	3.8
491.30081	86.1
492.30447	3.1
599.28259	3.7
617.29584	5.9
635.30328	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	850.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.2
65.03944	1.6
67.05503	30.3
69.03419	3.5
69.07079	7.9
70.88459	1.2
71.04972	3.1
73.02924	1.9
79.05492	39.0
80.44191	1.2
81.03416	37.2
81.07054	30.4
83.04977	13.4
83.08617	15.3
85.02904	14.2
85.06535	2.4
91.03948	1.4
91.05478	35.3
93.06449	2.1
93.07041	35.2
95.04967	25.2
95.08604	12.9
97.02876	5.1
97.06518	4.7
97.10171	2.9
105.04536	1.6
105.07032	27.7
107.04964	7.3
107.08582	12.4
109.06516	4.5
109.10143	3.8
111.08079	8.4
113.05996	1.4
115.05456	1.6
117.07021	5.2
119.08575	19.9
120.03935	1.2
121.10180	6.4
123.08058	3.6
123.11717	1.5
127.03917	1.5
127.73766	1.2
129.07004	15.4
131.08530	7.2
131.39395	1.3
133.06479	2.0
133.10141	11.4
142.07735	2.1
143.08559	3.2
145.10077	4.8
147.08032	3.0
147.11679	22.3
149.09578	3.8
157.10152	9.7
161.09621	1.6
161.13219	5.7
163.06017	1.3
163.11282	1.2
171.11665	13.3
175.11186	7.6
189.12740	5.0
193.12228	20.5
200.39987	1.3
207.13744	11.6
211.13293	23.0
267.15906	30.5
269.17514	3.4
281.17499	41.8
285.16962	23.9
337.01416	1.6
423.16449	4.1
455.27411	1.5
473.28979	100.0
474.29138	3.6
491.30029	71.4
492.30310	2.5
599.28058	2.1
617.29510	4.8
635.31061	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	852.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.5
65.03900	0.6
67.05508	12.3
69.03430	2.6
69.07064	3.2
69.07381	0.6
71.01362	0.9
71.04986	2.6
71.19820	0.7
73.02926	2.4
79.05493	15.3
81.03416	35.2
81.07052	17.3
83.01334	3.8
83.04984	11.1
83.08620	14.8
85.02906	15.9
85.03415	0.9
85.06544	0.9
87.04473	0.5
91.03961	4.6
91.04936	1.0
91.05483	16.1
93.07044	17.1
95.04352	0.7
95.04967	12.9
95.08616	6.7
97.02898	5.3
97.06528	3.1
97.10163	2.2
99.04460	1.7
99.08109	0.7
103.05481	0.7
105.04537	0.7
105.07030	12.9
107.04958	5.3
107.08591	8.3
109.02845	0.5
109.06522	5.3
109.10156	2.5
111.04436	2.4
111.08086	4.6
113.06015	1.7
115.05511	0.7
117.07012	3.8
119.04942	0.7
119.08581	11.0
121.06522	2.3
121.10143	7.2
123.08081	5.5
123.11730	0.5
123.27981	0.5
125.05993	1.1
125.09631	1.4
127.03931	1.5
129.07002	5.7
130.50475	0.5
131.08565	5.5
133.06502	1.3
133.10117	5.6
135.08080	1.3
135.11688	5.3
137.09634	2.0
142.07793	1.1
145.04942	1.3
145.06500	0.6
145.10115	8.0
147.08083	1.7
147.11705	7.3
149.09624	3.6
153.12767	1.2
155.08516	0.7
157.10112	7.0
163.06020	1.9
163.11182	12.0
165.12788	1.8
173.09666	2.2
175.11182	6.8
181.12250	1.6
191.10692	1.3
193.12242	20.8
209.11711	2.3
211.13287	26.6
227.12811	1.5
249.14838	0.6
265.14438	0.7
267.15958	6.7
269.17499	0.5
275.52423	0.5
283.15399	35.4
284.15662	0.5
285.16959	25.1
286.17380	0.7
383.22073	1.7
401.23364	1.1
457.25964	3.8
461.28842	0.7
475.26935	19.4
475.33737	1.1
493.27957	100.0
494.28397	3.1
598.10669	0.5
637.31921	1.6
810.44775	0.5
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
65.03925	1.2
67.05502	21.0
69.03422	8.3
69.07067	23.5
69.72975	0.5
69.73315	2.0
71.02697	0.5
71.04984	1.8
77.03929	0.7
79.05487	18.9
81.03397	3.4
81.07056	18.2
83.04980	3.3
83.08614	6.3
85.02902	0.7
85.06540	1.1
86.09737	0.7
91.05480	13.7
93.06451	0.9
93.07043	14.9
95.01320	0.6
95.04971	6.9
95.08603	8.7
97.02891	8.6
97.06532	3.9
97.10164	11.2
97.10740	0.5
97.36401	0.5
98.22768	0.8
105.04510	1.6
105.06354	0.8
105.07024	11.3
107.04945	7.0
107.08589	10.8
107.41655	0.6
109.02910	0.9
109.06522	2.6
109.10163	6.3
111.08089	1.9
115.05425	0.7
117.07009	7.0
119.04940	1.5
119.08569	9.4
121.06504	2.5
121.10141	4.4
123.04425	0.7
123.08056	2.1
123.11657	1.0
123.81235	0.5
125.09634	7.3
128.06215	0.7
129.07013	3.4
130.07811	0.6
131.08566	7.3
133.06494	2.4
133.10094	4.1
134.07343	0.6
135.08070	3.2
135.11681	2.3
137.09621	2.0
143.08566	2.9
145.06474	1.1
145.10071	4.1
147.08058	5.9
147.11685	2.0
149.09628	2.0
149.13263	1.4
153.09119	1.2
155.08487	0.7
157.10135	2.1
159.08061	0.9
159.11670	2.7
161.09595	2.5
162.10426	0.8
163.11174	2.0
165.09090	1.3
169.10034	0.6
169.12218	0.8
171.11652	1.4
173.13255	0.6
175.11189	2.2
177.12755	1.7
185.13187	1.0
189.11255	3.4
189.12733	0.9
195.13715	1.1
199.11134	1.0
205.12224	1.8
211.13304	0.9
211.83771	0.6
217.06841	0.6
223.13284	16.8
225.08846	0.6
227.12766	6.1
245.18976	1.0
249.14812	3.3
255.17470	1.2
262.15625	0.7
267.15887	1.7
273.18494	12.6
275.20056	1.7
291.19531	100.0
292.19778	1.7
347.22025	2.6
349.23535	1.7
365.23224	49.7
461.29529	0.7
515.45703	0.6
535.32684	0.8
557.34558	2.7
575.35565	1.0
587.35260	0.8
592.15997	0.6
623.42444	1.6
637.40747	3.0
655.41986	47.3
656.42450	1.4
669.47260	0.7
852.51807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	2.1
67.05509	42.0
69.03438	9.5
69.07070	21.1
71.04999	3.4
79.05500	30.5
81.03437	6.1
81.07058	41.4
83.04995	4.6
83.08625	8.5
85.02914	1.2
85.06549	3.5
85.11620	1.0
91.05488	37.6
93.07051	26.5
95.04971	11.4
95.08607	14.1
97.02902	5.7
97.06532	5.0
97.10165	8.3
98.23504	2.1
99.08112	1.2
101.58749	1.2
105.04550	1.4
105.07042	28.4
107.04948	8.9
107.08598	22.1
109.02921	1.2
109.06505	5.0
109.10163	28.5
109.10896	1.7
111.04413	1.2
111.08063	1.8
115.05436	1.2
117.07030	7.5
119.08578	12.0
121.06498	7.4
121.10161	6.5
123.08083	5.0
123.11719	5.1
125.09602	6.4
128.06198	1.6
129.07034	4.3
131.08562	10.1
133.06512	5.2
133.10141	36.4
135.08078	5.1
135.11710	4.0
137.09618	3.0
143.08586	4.1
145.10126	7.8
147.08083	7.8
147.11740	3.6
149.09602	5.4
149.13242	1.8
151.11171	19.2
153.09181	2.1
153.69753	0.9
155.08629	1.2
157.10150	4.1
159.08070	1.9
159.11696	3.1
161.09651	7.2
161.13284	2.5
163.11226	2.6
165.09082	1.7
169.12320	2.7
171.10353	1.2
171.11725	2.2
173.09625	1.6
173.13251	1.5
175.11203	1.7
177.09195	1.2
177.12712	1.3
179.10669	1.5
185.13379	1.8
189.11253	3.0
189.12822	1.3
195.13809	1.1
204.85759	1.1
223.13319	12.2
226.20558	1.2
227.12744	3.8
227.17973	1.5
245.19064	3.2
249.14964	1.8
251.12767	2.2
253.14363	80.0
254.14767	1.5
255.17500	2.5
263.20123	1.6
271.15668	1.3
273.18506	28.2
274.18930	1.3
291.19553	100.0
292.19818	1.3
309.20554	1.5
333.63800	1.1
347.22186	8.8
365.23273	52.7
423.23737	1.3
441.67493	1.1
543.33228	4.4
559.32782	2.5
561.34216	22.2
575.35376	1.4
637.40894	9.6
655.31677	2.0
655.42090	33.8
673.43207	1.2
816.91705	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	853.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47723	0.4
61.02934	6.1
66.68435	0.4
67.05506	6.9
69.03439	3.7
69.07077	1.9
71.01356	0.6
71.04996	0.8
73.02921	4.3
75.84310	0.4
79.05502	3.0
81.03401	2.2
81.07051	3.9
83.05012	0.6
83.08648	0.7
85.02914	6.6
85.06507	0.5
91.03951	3.8
91.05475	2.5
93.07054	2.2
95.05003	1.0
95.08613	2.2
97.02891	5.5
97.03370	0.4
97.06549	0.9
99.04482	1.0
101.02384	2.1
105.07059	1.7
107.04961	0.7
107.08629	1.8
109.02907	1.0
109.06595	0.4
109.10162	6.3
115.03977	0.6
116.36160	0.5
117.07045	0.7
119.08620	2.0
121.10197	1.3
125.09692	0.5
127.03959	1.8
131.08624	0.8
133.10190	1.1
135.11729	0.6
137.09564	0.5
145.04991	0.5
147.11646	0.5
159.11752	0.7
161.13318	0.7
173.11861	1.3
185.04326	1.7
195.09935	0.9
203.05276	0.6
214.35899	0.4
229.14291	1.0
243.08505	1.9
251.12746	0.7
253.14459	0.8
269.17752	0.5
291.19693	1.7
292.20032	0.9
325.94040	0.5
335.25650	0.6
347.09622	2.2
365.10767	1.2
365.23474	0.7
405.13690	6.7
413.17792	10.9
519.29211	4.4
559.36096	0.5
575.23090	8.6
656.42426	0.6
681.34583	4.4
691.40350	1.9
853.45502	100.0
854.45813	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	853.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.9
65.61307	0.3
67.05508	5.9
69.03431	3.3
69.07073	1.1
71.01357	0.8
71.05004	0.6
73.02914	4.8
79.05488	2.8
81.03420	2.2
81.07053	3.9
83.05006	0.4
83.08636	0.6
85.02905	6.1
87.04456	0.5
91.03954	4.3
91.05479	2.2
93.07043	2.9
95.04986	0.9
95.08601	2.3
97.02894	6.4
97.06557	0.4
98.23516	0.6
99.04483	1.1
101.02393	1.8
103.03973	0.4
105.04556	0.4
105.07060	1.5
107.08596	1.6
109.02906	1.0
109.10157	4.1
115.03996	0.5
117.07071	0.6
119.08603	1.3
121.10165	1.1
123.11692	0.4
127.03912	2.2
131.08609	1.0
133.10176	0.9
135.11714	0.8
145.04919	0.5
145.10185	0.6
147.11684	0.4
151.11278	0.4
159.11766	0.6
173.11786	1.0
185.04329	0.7
195.09981	0.7
203.05357	0.7
229.14362	0.5
243.08551	1.4
253.14531	0.4
257.13992	0.4
261.95630	0.4
273.18637	0.5
275.20029	0.5
291.19571	1.1
325.73059	0.3
329.15073	0.4
335.25879	0.6
347.09439	2.4
347.22205	0.4
349.23642	0.4
363.09189	0.5
365.10715	1.0
365.23572	0.5
405.13629	5.7
413.17804	5.7
429.32654	0.3
519.29266	6.3
559.36749	1.1
575.23029	4.3
581.32086	0.4
681.34766	6.4
691.39899	2.5
853.45483	100.0
854.45929	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	854.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	13.6
63.06121	1.2
65.03932	3.8
67.05505	77.5
69.03423	8.0
69.07066	24.3
71.01376	2.1
71.04993	6.7
73.02921	8.9
77.03908	1.3
79.05496	51.8
81.03417	21.5
81.07056	72.5
82.04202	3.5
83.01344	1.1
83.04980	16.3
83.08614	21.2
85.02901	20.8
85.06548	4.3
87.04456	1.4
91.03960	9.9
91.05479	32.9
93.06445	2.5
93.07044	51.4
94.80368	1.1
95.04965	19.6
95.08602	24.5
97.02898	13.6
97.06532	14.8
97.10172	13.7
98.07319	5.2
99.04474	2.9
99.08102	3.2
103.03971	1.4
105.04514	2.7
105.07018	16.8
107.04975	8.1
107.08595	33.0
109.02872	2.8
109.06525	4.6
109.10159	17.2
111.04452	5.1
111.08097	8.9
115.03945	2.0
116.04716	8.5
117.07021	11.3
119.08591	11.1
121.06519	3.5
121.10148	19.3
123.08069	4.7
123.11710	4.3
125.09639	11.7
127.03927	5.2
129.05473	17.6
129.07008	2.7
131.08556	13.5
133.06557	1.2
133.10127	14.9
135.08070	4.7
135.11702	11.8
139.11163	1.6
143.07080	4.0
143.10674	1.6
145.04944	3.7
145.10167	7.2
147.08044	2.1
147.11682	6.8
149.09657	3.9
149.13260	26.3
151.11197	1.7
153.12714	1.5
155.08511	1.4
157.08621	8.5
157.10156	5.0
158.05754	3.0
159.11684	12.9
163.06055	5.1
163.11171	8.6
165.12804	4.1
166.93459	1.2
167.10658	1.5
171.06525	4.4
171.10072	1.4
173.04408	1.4
173.09557	2.1
173.11800	3.7
173.16301	1.1
175.11206	3.5
177.12752	6.0
181.12254	3.4
185.13393	1.3
189.11243	4.7
191.10677	3.7
193.12224	9.5
195.13800	18.5
199.09698	1.5
199.13278	13.2
209.11708	8.1
211.13210	6.6
213.14851	2.7
227.12811	10.5
229.14395	4.1
239.16428	3.4
243.01915	1.2
255.15926	3.6
265.14423	3.1
266.84412	1.2
267.15973	12.8
269.17477	83.0
270.17889	1.5
283.15353	17.7
285.17072	6.7
301.16467	35.0
323.18439	3.1
323.22107	1.4
357.23868	1.3
370.52368	1.2
372.87653	1.3
385.23981	1.7
393.26382	7.4
411.27319	17.1
413.21835	2.7
423.27417	51.4
431.27634	1.5
439.26971	1.5
449.29053	4.4
459.27377	5.0
460.28091	1.4
461.28854	5.9
463.30399	1.6
477.28452	25.7
478.29193	5.5
495.29474	100.0
496.29697	3.4
550.20862	1.3
567.31342	1.3
621.32788	3.8
639.33588	8.8
855.37567	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	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	17.7
65.03942	2.9
67.05504	100.0
67.22258	0.9
69.03418	6.0
69.07067	21.8
69.43102	3.9
71.01364	1.1
71.04994	14.5
73.02913	7.1
77.03961	1.0
79.05492	39.7
81.03416	12.5
81.07056	98.4
83.04983	10.4
83.08620	21.3
85.02905	25.9
85.06550	7.4
87.04459	3.1
91.03961	14.9
91.05478	31.0
93.07043	49.1
95.04968	11.3
95.08603	21.9
97.02892	12.6
97.06532	11.6
97.10165	11.9
99.04422	2.6
99.08102	1.6
103.03933	2.3
103.05432	1.4
105.04553	1.1
105.07028	14.4
107.04954	4.6
107.08591	36.1
109.02895	1.3
109.06520	4.1
109.10156	43.3
111.04399	1.0
111.08082	9.9
117.07021	11.7
119.08577	11.3
121.06493	3.3
121.10151	15.3
123.08073	2.2
123.11707	9.5
125.09630	10.4
127.03902	5.5
129.05499	4.2
129.06998	1.4
131.08571	11.3
133.10126	21.1
133.61903	1.0
135.08070	2.8
135.11684	12.3
137.09627	2.7
143.10649	1.4
145.04985	6.0
145.10124	3.8
147.11668	4.2
149.09599	1.7
149.13261	17.5
151.11206	5.0
153.12761	2.7
155.10680	3.3
157.08565	1.6
157.10106	2.0
159.11674	8.4
163.06049	7.0
163.11154	5.5
165.12764	2.9
169.12279	1.0
170.23788	1.0
173.04424	1.3
173.11731	10.5
175.11160	1.6
177.12732	5.5
181.12239	2.6
183.13818	2.2
185.11765	1.2
187.13287	2.7
189.09470	1.0
191.10654	1.8
193.12224	3.1
195.09657	0.9
195.13795	13.7
199.13295	6.2
209.11699	5.5
211.13330	1.5
213.14886	2.9
213.19008	1.1
225.14955	1.3
227.12767	6.7
229.14339	38.1
239.16365	2.4
257.13885	4.9
257.17398	1.6
259.22882	1.0
265.14417	1.3
267.15973	8.9
269.17465	62.6
270.17902	1.7
283.15472	8.0
285.16983	2.1
297.16983	1.9
301.16458	12.9
301.20117	5.4
357.24533	2.2
366.83087	0.9
393.26395	2.2
411.27298	6.4
423.27405	40.4
431.28223	2.3
437.28986	29.1
449.28741	1.9
451.30634	2.6
459.27261	2.0
463.30515	25.4
477.28445	3.9
495.29556	66.2
496.29431	1.6
513.24097	0.8
513.30542	21.5
533.00354	1.1
607.34503	1.7
639.37097	3.3
848.23071	1.1
853.95685	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	854.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02629	0.7
61.02925	10.6
63.02355	0.4
65.03938	1.8
67.05504	28.3
69.03426	7.6
69.07067	9.0
70.68657	0.7
71.01353	0.6
71.04620	0.6
71.04993	6.2
73.02921	4.1
73.06542	0.4
77.03922	0.9
77.42366	0.3
79.05492	32.3
79.63919	0.4
81.03416	100.0
81.07055	35.0
81.07422	0.6
82.03753	0.6
83.04980	21.0
83.08620	37.2
85.02905	47.3
85.06536	2.4
87.04467	1.2
91.03965	7.8
91.05479	44.2
91.91872	0.3
92.05807	0.5
93.07045	22.8
95.04967	40.2
95.08604	14.1
97.02892	10.3
97.06527	5.3
97.10171	6.2
97.99168	0.3
99.04456	1.4
99.08083	1.9
101.06037	0.4
103.05466	0.7
105.04513	1.0
105.07030	31.2
107.04957	10.2
107.08594	9.4
109.02884	0.5
109.06514	7.2
109.10148	4.6
111.04437	3.7
111.07307	0.8
111.08082	15.6
113.06004	3.9
115.05452	2.1
117.06985	2.8
119.04945	1.4
119.08581	27.4
121.06510	3.3
121.10143	12.9
121.10887	0.3
123.08068	4.1
123.11670	2.4
125.05989	0.6
125.09605	2.4
127.03922	2.4
127.07549	1.0
128.06218	1.4
129.07005	17.8
131.08565	17.5
133.06473	4.8
133.10129	16.0
134.94189	0.3
135.08054	0.6
135.11710	1.1
137.09616	3.0
142.07764	3.8
143.08472	0.4
145.04945	2.4
145.06505	1.1
145.10110	2.7
147.08049	4.4
147.11681	23.4
149.09618	9.6
151.11172	0.8
155.08479	0.5
157.10132	22.4
159.11623	0.4
163.06012	3.5
163.11174	1.3
165.12741	4.8
174.60698	0.4
175.11186	24.3
189.11238	0.8
193.12241	65.0
194.12451	0.5
211.13284	83.2
212.13647	1.5
212.83522	0.3
229.14320	0.5
233.15385	0.5
241.14189	0.4
249.14882	1.0
267.15909	46.0
268.16183	0.8
273.14880	0.7
285.16956	83.2
286.17279	2.1
320.85815	0.4
339.22876	0.5
349.21503	0.9
367.22662	3.1
385.23682	3.9
403.24805	1.4
429.21265	0.6
433.25803	2.5
441.26407	1.8
459.27411	34.3
460.27594	1.2
477.28467	36.5
478.28757	1.3
495.29514	89.2
496.29904	3.2
621.32391	0.6
639.33972	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	854.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	14.4
64.32555	1.0
65.03931	2.8
67.05502	86.8
69.03434	5.0
69.07067	16.7
71.01344	2.4
71.04974	5.6
71.08627	1.0
73.02916	7.3
74.54311	0.8
77.03900	1.0
79.05492	37.1
79.62766	0.9
81.03418	17.0
81.07053	64.8
83.04979	8.9
83.08614	18.8
85.02901	27.5
85.06539	5.4
87.04468	3.5
91.03946	11.8
91.05479	27.0
93.07043	37.9
95.04972	8.3
95.08603	20.2
95.09204	1.1
96.29244	0.9
97.02882	13.9
97.06525	11.5
97.10167	10.8
98.22633	2.0
99.04454	2.1
99.08081	1.7
101.02342	1.0
103.03932	1.7
103.45296	0.8
105.04535	1.4
105.07022	11.5
107.04959	5.8
107.08593	24.3
109.02873	1.5
109.06513	3.1
109.10152	47.6
111.04433	2.2
111.08083	4.7
113.05985	1.3
115.03918	1.4
116.04707	1.2
117.06999	8.1
119.08573	10.5
121.06509	2.7
121.10122	12.0
123.08048	3.0
123.11694	4.2
125.09619	11.6
127.03899	5.7
127.40979	0.8
129.05482	5.1
129.06995	2.6
131.08549	10.2
133.10115	13.8
135.08025	2.3
135.11673	8.0
137.09605	3.1
143.06993	1.2
143.10641	1.4
145.04913	5.2
145.10161	4.5
147.08003	1.1
147.11679	5.3
149.09622	2.2
149.13225	9.8
151.11165	2.1
153.12701	4.2
155.08577	1.2
155.10620	3.3
157.10117	2.6
159.11705	6.6
163.05978	5.4
163.11177	7.0
165.12737	3.4
165.33450	0.9
167.14368	1.1
173.09604	2.0
173.11737	12.4
175.11217	2.7
177.12747	3.8
181.12193	3.4
185.11646	1.0
187.11081	0.9
189.11189	1.2
191.10699	3.1
193.12257	7.5
195.13771	10.6
199.13284	5.6
209.11720	7.3
211.13287	5.6
213.14842	1.4
227.12755	10.5
229.14330	47.9
230.14786	1.1
239.16472	5.0
250.87123	0.8
251.16525	1.4
257.13809	1.7
265.14352	1.4
267.15863	12.1
269.17459	55.4
283.15363	7.8
285.16925	3.4
301.16452	18.5
313.16431	2.7
323.18466	2.4
357.24374	1.2
393.26291	2.9
411.27301	4.2
423.27402	39.6
424.27744	1.3
431.27826	3.6
449.28922	4.1
459.27405	1.2
463.30539	2.7
477.28464	5.1
495.29471	100.0
496.29666	3.4
513.30573	29.9
662.10815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	13.2
65.03926	2.4
67.05503	79.6
68.24508	0.8
69.00622	0.7
69.03423	4.1
69.07069	13.2
71.04993	21.4
71.05846	0.9
71.08648	1.2
73.02906	6.1
79.05493	30.8
81.03417	8.4
81.07055	100.0
82.07397	0.9
83.01353	0.8
83.04987	6.4
83.08623	16.9
84.67934	0.8
85.02908	17.5
85.06541	8.4
87.04452	1.9
91.03954	9.6
91.05477	30.1
93.07043	42.3
95.04965	6.3
95.08607	18.9
95.28626	0.8
97.02888	9.7
97.06530	9.4
97.10168	5.3
99.04443	2.0
99.08080	3.2
105.04539	1.2
105.07027	13.9
107.04948	2.4
107.08589	26.9
109.06507	2.5
109.10156	22.3
111.04440	0.8
111.08063	5.3
113.05995	1.0
117.07005	8.2
119.06041	1.1
119.08555	5.1
121.06483	2.2
121.10137	11.0
123.08083	1.4
123.11697	12.7
125.09616	4.7
127.03932	3.8
129.05489	2.1
131.08546	7.9
133.10124	22.5
135.08081	1.7
135.11694	10.4
137.09612	1.4
139.07530	0.7
139.11195	0.8
143.10767	0.8
145.04939	3.5
145.10110	1.1
147.11665	2.1
149.09624	1.1
149.13255	16.4
151.11163	7.4
157.10175	1.1
159.11688	10.6
163.05988	3.9
163.11211	2.1
165.12767	1.4
173.11749	5.4
173.12985	1.1
177.12721	5.4
180.08846	0.9
183.13853	2.6
187.13271	2.8
191.10677	1.0
193.12251	0.8
195.13809	15.2
199.13377	1.8
209.11734	2.2
211.13237	1.2
213.14676	1.2
225.14781	1.0
227.12798	2.3
229.14325	19.7
233.19328	0.9
239.16389	1.8
251.16531	0.8
257.13934	1.2
257.17386	1.0
267.15884	3.5
269.17471	42.1
283.15393	2.6
285.16953	1.5
301.16412	8.4
301.20074	10.0
411.27472	2.5
423.27396	20.3
437.29004	46.3
438.29196	1.1
445.29398	1.1
451.30527	5.9
463.30542	44.2
464.30634	1.3
477.28091	1.3
495.33719	91.4
496.33282	3.1
513.30652	7.2
607.35077	4.2
639.37738	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	854.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.7
65.03933	2.4
67.05502	54.9
68.05823	0.6
69.03431	2.0
69.07065	10.5
70.19206	0.7
71.01363	0.6
71.04990	13.7
71.08656	0.4
73.02921	3.2
73.06562	0.5
77.03925	0.5
79.05489	22.8
81.03417	5.0
81.07053	75.1
83.04980	4.4
83.08620	11.0
83.09102	0.8
85.02901	8.6
85.06538	6.7
87.04458	0.5
90.10696	0.4
91.03951	4.1
91.05476	18.5
93.07041	36.1
95.04966	5.3
95.08602	13.9
95.74725	0.4
97.02894	5.2
97.06528	6.6
97.10168	3.4
98.23328	0.5
99.04462	1.5
99.08105	2.0
105.04536	0.9
105.07024	7.2
107.04961	1.1
107.08587	21.2
109.02861	0.9
109.06509	1.9
109.10153	11.5
111.04480	0.7
111.08087	5.2
111.11726	0.7
113.06005	0.9
113.09632	0.9
115.03993	0.5
117.07019	5.1
119.08556	2.7
121.06503	1.1
121.10141	12.2
123.08068	0.7
123.11699	8.0
125.09618	2.4
127.03947	1.7
127.07554	0.5
129.05461	0.7
129.07005	0.8
131.08568	6.8
133.10126	14.0
135.08075	1.3
135.11696	5.9
137.09621	0.8
139.07529	0.4
139.11195	1.5
145.04910	2.1
145.10107	0.7
147.11726	2.0
149.09610	0.9
149.13248	21.8
151.11176	4.7
153.12843	0.5
155.10703	0.6
157.10069	0.8
159.11685	8.7
163.06041	2.4
163.11209	0.9
165.12738	0.6
167.14297	0.6
169.12262	1.0
173.04501	0.5
173.11772	2.1
177.12730	4.4
181.12320	0.5
183.13818	1.7
187.13344	2.4
193.12279	0.8
195.13794	6.3
199.13329	0.5
201.14890	0.4
209.11763	0.9
211.13315	0.6
213.14879	1.0
225.14812	0.4
227.12794	2.0
229.14333	7.1
239.16460	0.6
251.16434	0.9
257.13623	0.5
257.17505	0.9
267.15833	3.0
269.17459	21.3
283.15329	0.7
285.17154	0.5
301.16510	2.8
301.20184	3.7
333.63815	0.4
404.98001	0.4
411.27405	0.8
423.27344	8.0
424.27475	0.5
437.29001	27.6
438.29083	0.6
445.24115	0.8
451.30621	3.8
463.30521	100.0
464.30716	2.1
495.33661	31.6
496.33929	0.9
513.30408	3.3
607.34766	1.2
639.37439	3.2
664.55542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81229	1.5
61.02924	1.6
61.30430	1.3
63.94744	1.4
65.03942	5.2
67.05508	82.5
69.03437	6.5
69.07070	52.0
71.04989	4.7
71.69408	1.4
73.02924	2.0
79.05496	50.6
81.03427	14.3
81.07059	71.1
83.04987	13.0
83.08614	10.7
85.02896	2.7
85.06543	2.6
91.05483	81.2
92.05756	1.3
93.07049	55.6
95.01328	8.8
95.04968	19.3
95.08612	51.5
97.02861	4.0
97.06531	38.9
97.10179	7.4
98.22672	2.2
99.08092	3.4
103.05471	3.5
103.31152	1.4
105.04528	3.1
105.07034	97.2
106.07423	1.3
107.04965	22.1
107.08592	32.2
109.06538	7.1
109.10162	29.0
110.82064	1.4
111.04440	2.4
111.08093	4.9
113.09663	3.2
115.05447	1.5
117.07027	21.6
119.04951	2.0
119.08585	43.1
121.06525	6.3
121.10149	14.7
123.04408	2.3
123.08054	6.0
123.11717	3.8
125.09615	6.0
127.03902	1.8
128.06114	1.7
129.05499	2.3
129.07018	5.8
131.08569	29.3
133.06509	4.1
133.10129	61.2
135.08061	6.9
135.11699	12.5
137.09596	12.3
139.40218	1.8
141.07013	2.8
142.07707	1.7
143.08563	9.7
145.06433	3.0
145.10121	23.1
147.08066	3.8
147.11687	17.9
149.09628	23.9
149.13249	5.2
151.11206	9.6
152.11583	2.4
155.08574	4.6
157.10141	6.5
159.08078	2.8
159.11693	18.4
161.09625	4.7
161.13286	6.8
163.11157	8.8
165.09117	3.2
165.12839	2.3
169.10112	5.0
169.12267	2.1
171.11713	5.2
173.11841	3.1
173.13289	6.2
175.11198	3.9
176.54161	1.3
177.12752	4.9
179.14323	17.6
183.11710	4.8
184.07315	2.3
185.11615	1.4
185.13297	2.6
187.11232	4.0
187.14867	1.6
189.92250	1.6
195.13841	2.4
197.13286	2.3
211.13319	4.6
217.16016	1.5
227.12756	2.4
229.14293	6.7
229.19447	2.4
234.74535	1.4
239.17946	2.4
247.20552	2.0
253.14342	19.3
257.19095	11.0
269.17474	4.8
273.18616	7.5
275.20071	100.0
279.15872	2.1
291.19592	10.1
292.19946	4.7
293.20993	8.3
316.07367	1.6
331.22766	2.6
347.22162	4.2
349.23727	44.0
365.23212	11.7
366.23807	3.1
367.24158	2.5
383.24203	1.8
445.29337	2.1
465.27979	3.8
503.33716	29.2
517.35400	2.6
541.34595	2.3
543.36584	2.1
545.35022	3.4
559.36139	9.6
623.43121	44.0
639.42145	4.9
641.43707	2.4
657.42725	5.6
701.98761	1.8
712.16614	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.2
65.03927	3.7
67.05505	64.4
69.03433	15.7
69.07069	43.1
70.95533	1.1
71.05010	6.0
73.02920	1.6
77.03898	1.3
79.05492	60.4
81.03420	13.7
81.07055	71.1
82.07398	0.8
83.04989	10.1
83.08617	16.7
85.02898	4.6
85.06541	3.2
91.03943	1.1
91.05480	52.3
93.07043	55.9
95.01282	0.9
95.04970	17.3
95.08603	28.3
97.02889	11.9
97.06528	13.8
97.10164	16.1
99.04476	1.6
99.08071	1.9
103.05466	1.8
105.04507	3.4
105.07031	37.4
107.04948	11.6
107.08592	36.6
107.09340	1.6
109.02852	1.9
109.06522	6.7
109.10157	22.3
111.08076	4.2
113.05968	0.9
113.09655	1.2
115.05473	1.9
116.06264	0.8
117.07014	18.4
119.04955	2.6
119.08577	27.9
121.06500	7.4
121.10142	16.0
123.04436	1.0
123.08105	5.9
123.11717	4.2
125.05993	1.0
125.09625	11.5
127.03905	1.9
128.06235	3.1
129.07007	8.4
130.07784	1.8
131.08571	19.5
133.06493	5.2
133.10123	25.8
134.07304	1.0
135.08051	6.8
135.11700	10.4
137.05916	1.0
137.09612	4.3
139.11148	1.3
141.06978	1.9
142.07774	2.0
143.08560	6.8
144.09235	0.8
145.06445	2.1
145.10133	16.1
147.08037	7.7
147.11676	11.3
149.09615	11.5
149.13246	10.4
151.11157	7.7
153.09082	1.5
155.08594	1.5
157.10106	7.5
159.08040	1.7
159.11690	11.7
161.09590	5.8
161.13248	2.7
162.10458	1.1
163.11189	7.6
165.09123	1.9
169.10121	3.2
169.12265	1.6
171.08087	1.0
171.10254	1.3
171.11694	4.6
173.04431	0.8
173.09631	2.0
173.13210	3.1
175.11182	2.8
175.14822	1.2
177.12767	5.5
179.10655	1.3
179.14270	1.9
181.10115	1.5
181.12225	1.4
183.11685	1.8
185.13237	2.3
187.11180	1.5
187.14835	1.5
189.09634	0.8
189.11200	4.5
189.12689	1.6
193.12196	1.5
195.11909	1.4
195.13794	5.4
199.11089	1.4
199.14914	0.8
201.12730	0.8
203.14131	0.9
205.12206	1.8
211.14923	0.9
213.14674	0.8
215.12662	0.9
217.15648	1.1
217.92404	0.8
220.70982	0.9
223.13275	19.0
227.12770	8.3
227.17986	0.8
229.19562	1.2
239.17960	2.1
245.13957	1.1
245.19029	2.1
247.20381	0.9
249.14891	3.6
251.16396	1.0
253.14319	12.8
255.15608	5.2
257.18967	5.5
263.20065	1.5
267.15836	1.7
269.17468	26.4
273.18488	18.9
275.20062	15.7
291.19540	100.0
292.19925	2.1
293.21118	1.1
309.20517	2.0
315.22861	0.9
331.22693	1.0
347.22281	6.3
349.23724	17.3
365.23242	48.0
366.23837	1.2
367.24896	3.4
413.21555	1.2
423.23495	0.8
447.27646	0.9
461.28738	1.5
465.28754	1.2
527.33582	1.4
535.33313	1.2
541.35242	4.7
543.56732	0.9
545.27100	1.2
545.34705	16.7
559.36310	71.8
560.36401	2.1
607.43066	1.2
621.41388	2.3
639.42493	18.7
657.43451	3.0
703.40076	1.6
854.45648	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	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.2
65.03938	2.0
67.05507	51.8
69.03432	13.0
69.07070	40.9
71.04426	1.0
71.05030	4.8
71.20003	1.0
73.02913	0.9
77.03915	1.8
79.05497	45.5
81.03427	8.5
81.07059	52.6
83.04976	9.8
83.08623	15.0
84.98192	0.9
85.02880	3.7
85.06535	2.2
91.05483	35.4
91.06061	1.7
93.07048	41.9
95.04412	1.3
95.04978	14.7
95.08022	1.3
95.08608	23.4
97.02895	12.3
97.06520	10.8
97.10171	16.8
98.51936	0.7
99.04436	0.8
99.08099	1.7
103.05452	1.2
105.04499	1.4
105.07031	31.1
107.04951	11.9
107.08595	29.4
107.09338	0.9
107.57584	0.6
109.02875	1.5
109.06522	5.7
109.10168	15.0
111.04391	1.4
111.08096	4.1
115.05453	1.3
116.06218	1.5
117.07026	15.2
119.04951	2.3
119.06060	1.1
119.08580	27.0
121.06512	4.8
121.10149	14.0
123.08058	4.8
123.11699	2.3
125.09646	14.0
127.03956	1.9
128.06219	1.7
129.06964	5.3
130.07753	1.1
131.08569	19.0
133.06493	3.7
133.10124	19.8
134.07254	1.5
135.08105	5.7
135.11696	9.0
137.09612	3.4
139.07521	0.9
139.11119	1.0
141.07019	1.6
142.07726	0.9
143.08549	4.6
144.35031	0.8
145.10123	13.2
147.08063	7.4
147.11662	8.5
149.09633	11.8
149.13251	7.2
151.11163	2.5
153.09050	1.9
155.08546	1.8
157.10135	5.6
159.08078	1.0
159.11699	10.8
161.09590	3.9
161.13258	3.4
163.11185	7.6
165.09062	2.2
169.10104	2.2
171.10248	1.5
171.11691	3.2
173.04507	1.6
173.09593	0.9
173.11908	1.0
173.13290	4.5
175.11200	3.2
177.12704	3.9
179.14307	1.4
181.12250	1.3
183.11697	2.1
184.07411	0.9
185.13258	1.2
187.11183	1.8
187.13286	1.0
187.14821	1.3
189.11226	7.1
189.12775	1.6
193.12277	1.0
195.12149	0.9
195.13863	5.3
197.13287	1.7
199.11174	1.0
199.14920	1.3
201.16382	1.1
203.14270	0.9
205.12311	2.2
223.13293	17.8
227.12767	16.1
229.14348	1.1
229.19539	1.8
233.15370	1.3
239.18001	1.9
245.18951	1.6
247.20590	1.1
249.14792	3.7
251.16441	1.4
253.14450	6.3
255.15784	6.4
257.18967	7.8
263.20245	1.0
267.15924	1.9
269.17462	19.7
273.18475	15.6
275.17035	1.3
275.20093	22.7
291.19547	100.0
292.19943	2.3
293.21085	1.8
309.20877	1.3
321.24283	1.4
331.22583	2.0
347.22128	3.5
349.23758	23.9
350.24255	1.0
365.23257	51.3
366.23593	1.3
367.24832	2.9
413.21835	1.0
423.23584	1.2
461.28714	2.0
527.33710	2.1
531.36420	0.9
535.32367	2.2
541.35498	4.0
543.36761	1.6
545.34662	17.4
559.36322	52.3
560.36420	2.2
561.33459	1.1
621.41309	2.4
639.42560	32.6
640.42645	1.0
657.43585	5.3
703.40582	1.1
854.45813	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.8
67.05504	82.2
69.03416	3.6
69.07069	14.6
69.55614	6.6
71.04994	2.6
73.02915	3.0
75.64782	2.0
79.05492	40.9
80.85966	1.7
81.03421	7.3
81.07054	56.1
83.04975	6.8
83.08615	9.1
85.02895	13.3
87.04459	4.1
91.05476	18.1
93.07044	32.4
95.04967	6.8
95.08600	34.1
97.02900	1.9
97.06509	4.4
97.10158	14.1
98.10787	1.7
105.04501	2.6
105.07024	13.4
107.04994	2.0
107.08587	23.1
109.06545	3.1
109.10145	46.5
109.10891	2.7
111.04475	2.5
111.08112	3.8
113.20324	1.7
117.07047	4.4
119.08566	12.2
121.10123	15.1
123.08089	4.2
123.11714	4.7
125.09633	15.5
129.05528	1.8
131.08574	8.3
133.10130	5.8
135.11702	10.8
137.09595	2.5
143.10660	3.3
145.10121	9.1
147.11678	4.8
149.09567	2.0
149.13261	5.0
153.12730	2.4
155.10649	4.2
159.11659	4.4
161.13187	2.7
163.11183	6.7
163.14825	2.2
171.10266	1.8
173.11748	16.5
173.13136	2.9
175.14925	2.0
181.12317	2.9
187.49918	1.6
191.10628	2.5
193.12274	1.8
199.13277	5.7
199.25336	1.8
209.11794	4.3
227.12679	8.4
229.14333	49.1
239.44104	2.0
243.21158	4.5
261.22119	16.8
267.15781	3.4
273.84821	1.9
301.16431	14.2
317.24582	3.2
335.25790	100.0
399.23856	14.2
457.71368	1.7
477.35666	8.9
489.35846	19.4
527.36859	2.2
543.36670	3.9
561.37909	7.2
579.38458	2.9
610.86029	1.9
659.45374	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	5.9
65.03936	5.6
67.05501	98.5
69.03421	9.5
69.07068	54.1
70.67550	2.2
71.01340	1.9
71.04996	8.8
71.08640	2.0
73.02925	3.0
75.56940	1.2
77.03931	2.7
77.13736	1.3
79.05490	79.9
80.05867	1.3
81.03419	14.6
81.07051	100.0
82.07378	1.8
83.04980	16.4
83.08614	20.8
85.02899	9.7
85.06543	5.3
91.05478	87.9
92.05806	1.8
92.31445	1.1
93.07038	85.3
95.04971	22.0
95.05532	2.0
95.08604	60.1
97.02902	7.1
97.06527	20.9
97.10158	14.8
99.04442	2.8
99.08089	5.2
103.05472	4.4
104.06223	1.4
105.04550	7.9
105.07025	83.1
107.04969	11.3
107.08588	49.9
108.08978	1.2
109.02891	2.3
109.06509	11.4
109.10152	33.6
109.92577	1.4
110.03233	1.1
110.10498	1.6
111.04466	3.0
111.08125	6.5
113.09674	3.4
115.05453	4.5
116.06228	2.4
117.07017	37.1
119.08575	62.5
121.06506	6.7
121.10143	29.9
121.10991	2.3
123.08047	6.9
123.11698	6.7
125.09602	13.4
127.03930	4.1
128.06236	4.5
129.05475	3.9
129.06992	19.5
130.07852	1.6
131.08565	39.7
133.06499	4.3
133.10123	49.2
134.10455	2.0
135.08054	8.2
135.11684	19.3
137.09598	6.4
137.13225	1.6
139.11183	1.8
141.06985	6.2
142.07791	3.8
143.08566	20.6
144.09372	2.0
145.04987	1.9
145.06477	3.3
145.10118	41.0
147.08029	2.7
147.11690	30.3
149.09605	19.1
149.13254	14.2
151.11194	5.0
155.08521	11.7
156.09360	1.8
157.08812	2.2
157.10103	17.8
159.08051	2.1
159.11679	27.2
159.12921	2.0
161.09586	3.4
161.13235	16.1
163.11172	11.4
163.14792	2.2
165.07027	2.1
165.09082	2.5
165.12790	2.9
167.08611	4.2
169.10091	13.2
171.10229	1.5
171.11662	20.6
173.04480	2.2
173.09714	2.5
173.11810	2.7
173.13208	16.2
175.09732	1.3
175.11227	4.7
175.14865	3.7
177.12726	6.8
179.14377	5.1
181.10112	4.5
183.11703	11.5
184.07330	1.7
185.13242	11.7
187.11180	3.5
187.14825	4.8
189.11186	4.1
189.12724	2.3
189.16252	1.2
191.14290	1.6
193.10162	2.5
193.12413	1.5
195.11879	6.0
195.13814	5.9
197.13226	8.3
199.14828	7.8
201.12737	2.6
201.16438	2.7
205.12204	1.5
205.15958	2.0
207.11705	4.0
207.13750	1.5
209.13264	6.2
211.14842	4.0
213.12769	1.8
213.16431	4.5
215.18001	3.2
219.17500	2.2
221.13307	2.7
223.14883	4.2
225.16422	1.7
227.12666	10.7
227.17947	2.2
229.14203	8.5
229.19434	2.9
231.17397	2.0
231.20967	1.7
235.14804	2.3
237.16406	2.3
239.17966	4.0
241.19560	8.7
247.20589	2.6
251.18013	1.6
253.14357	4.5
253.18033	2.5
254.14735	2.0
255.15883	4.4
257.19064	9.7
259.20587	19.7
267.15799	1.6
269.17346	15.1
273.18521	3.1
275.20065	37.8
276.20438	2.0
277.21753	2.0
283.20633	1.5
289.21555	1.3
291.19534	3.9
293.21033	7.4
301.21463	1.9
315.23203	4.1
323.23608	1.8
325.21542	1.6
327.23184	1.5
331.22791	2.8
333.24216	17.7
333.27939	2.0
335.26169	1.4
339.23175	2.0
349.23740	24.5
365.23352	2.6
367.24667	3.8
375.25647	1.7
377.28387	1.3
421.30887	4.1
433.30627	1.5
435.32364	2.0
449.29016	2.2
463.30621	4.4
487.34161	4.0
499.33881	1.7
501.35611	2.0
503.33612	1.5
509.35980	1.5
513.35809	25.4
515.37659	2.5
525.35370	3.7
527.37378	16.8
529.35254	1.8
533.39941	1.9
538.36304	1.6
543.36725	9.0
545.37860	1.7
555.36444	2.0
561.37445	3.7
565.07343	1.4
607.43475	18.5
623.42755	2.3
625.44470	19.1
635.94629	1.7
641.43896	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	6.7
65.03950	7.2
67.05511	93.5
69.03436	15.0
69.07072	48.9
69.09131	8.5
71.05003	6.8
73.02917	3.9
77.03941	3.1
79.05501	90.8
81.03417	17.9
81.07066	100.0
83.04990	14.6
83.08629	20.6
85.02901	11.2
85.06551	6.7
86.09697	1.7
91.03979	5.4
91.05489	97.0
93.07053	88.3
95.04975	22.5
95.08620	53.7
95.09225	3.5
97.02891	10.9
97.06530	12.8
97.10152	8.6
98.09726	3.4
98.23442	3.2
99.04495	2.6
99.08106	6.9
103.05502	5.1
104.74226	1.6
105.04520	6.9
105.07039	84.1
107.04980	6.6
107.08603	38.0
109.02869	3.0
109.06536	7.1
109.10167	18.2
111.04483	3.0
111.08099	7.7
115.05460	7.0
116.06225	2.0
117.07026	34.9
119.08593	58.6
121.06514	3.0
121.10147	30.1
123.08082	9.9
123.11746	6.3
125.09672	3.0
127.03929	5.4
128.06223	7.8
129.05498	5.7
129.06993	20.4
130.07802	3.6
131.08575	43.2
133.06525	3.2
133.10141	37.9
135.08080	7.3
135.11708	19.7
137.09644	4.1
137.13255	1.7
139.11192	2.3
141.07025	5.7
142.07784	4.2
143.08571	18.8
145.10139	32.7
147.08031	4.2
147.11682	29.6
149.09610	10.6
149.13243	17.4
151.11266	2.7
155.08588	10.3
157.10132	18.7
159.11700	23.0
161.09637	2.7
161.13266	16.0
163.11237	4.0
163.14809	2.4
167.08644	3.0
169.10117	10.5
171.10321	2.9
171.11705	17.4
173.04408	2.6
173.09651	2.9
173.13277	12.1
175.11234	3.1
175.14879	6.2
177.12762	5.0
179.14368	3.9
181.10110	3.7
183.11668	10.7
184.07428	2.1
185.13283	10.6
187.14867	6.8
189.11226	2.0
189.12776	2.3
195.11745	3.4
195.13741	3.6
197.13283	6.9
199.14883	5.1
201.12738	2.5
207.13815	2.3
209.13307	5.3
211.14853	4.0
212.28427	1.8
213.16443	3.0
215.14336	2.2
215.18060	2.4
217.16127	2.2
221.13225	3.4
223.15071	2.2
225.16376	2.4
229.14372	2.6
229.19489	2.6
231.21153	1.9
237.16458	2.8
241.19553	7.5
245.19218	2.1
257.19089	4.8
259.20596	17.3
261.22308	1.9
267.15961	3.1
269.17343	12.3
275.20081	12.4
277.21780	2.5
281.17661	5.0
315.23398	2.2
331.22870	1.8
333.24237	13.4
335.25916	7.1
349.23865	7.6
351.25095	1.7
513.35516	3.5
527.37372	12.8
561.37750	2.2
607.43646	4.4
609.45251	23.4
625.44403	5.3
641.43964	3.0
789.65759	1.9
849.14185	2.0
849.68329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.1
65.03945	5.1
67.05506	84.2
68.05824	2.8
69.03428	13.6
69.07069	37.0
71.01347	1.6
71.04996	7.6
71.08636	2.3
73.02943	1.7
77.03944	3.2
79.05492	76.2
81.03413	15.7
81.07056	100.0
82.07378	1.8
83.04987	15.8
83.07737	1.4
83.08606	16.1
85.02899	6.8
85.06548	4.1
91.03976	2.4
91.05482	79.1
92.05815	2.0
93.07047	75.7
94.07370	2.6
95.04977	21.3
95.08609	54.2
97.02898	6.0
97.06535	17.3
97.10172	8.8
98.23511	3.1
99.04513	1.7
99.08093	7.2
103.05465	1.9
105.04534	4.3
105.07033	69.2
107.04937	12.5
107.08596	47.2
109.02853	1.7
109.06499	7.3
109.10160	23.4
111.04469	2.7
111.08070	6.7
113.09655	1.9
115.05489	2.9
117.07018	28.7
119.08576	50.8
119.09427	3.2
121.06531	7.9
121.10133	28.1
123.08057	7.2
123.11714	6.1
125.09641	6.9
127.03943	3.8
128.06232	4.3
129.05473	4.7
129.07013	14.0
131.08575	28.8
132.08929	1.9
133.06496	2.1
133.10126	42.9
134.10521	2.8
135.08051	6.7
135.11682	21.0
137.09599	5.0
141.07018	4.3
141.09081	2.2
142.07764	2.6
143.08568	12.4
145.10123	26.8
147.08086	4.3
147.11693	25.9
149.09613	12.2
149.13231	12.8
151.11145	8.6
155.08556	5.0
157.10123	14.1
159.08113	1.9
159.11699	24.4
161.09598	3.3
161.13260	11.5
163.11238	8.2
165.12903	2.0
167.07030	1.5
167.08553	2.6
169.10103	9.0
171.10410	2.3
171.11652	10.4
173.04469	2.4
173.09662	2.7
173.13216	9.5
175.11197	5.1
175.14828	4.2
177.12769	5.7
179.08467	1.8
179.14304	3.0
181.10051	2.1
181.12273	2.3
183.11646	8.9
185.13258	5.1
187.14780	3.7
189.11203	3.7
189.12758	3.0
191.14415	2.3
193.12343	2.0
195.11754	4.2
195.13831	7.5
197.13277	7.2
199.14801	2.1
207.12033	2.0
209.13309	2.3
213.16396	2.8
217.15880	2.3
227.12761	2.7
229.14203	1.8
229.19490	2.7
239.17825	2.3
241.19489	6.7
247.20590	3.5
253.14290	11.6
254.14696	4.6
255.15881	13.1
257.19009	8.0
259.20584	18.8
261.22168	2.8
267.15887	3.4
269.17520	25.3
270.17944	2.7
273.18503	2.6
275.20065	23.7
277.21741	2.4
285.16879	2.1
291.19553	5.0
293.21106	13.6
315.23138	2.6
331.22632	2.5
333.24313	16.9
339.23383	2.3
349.23712	17.8
365.23447	4.1
367.24594	9.5
387.24069	1.7
435.32462	2.0
449.28738	4.8
451.31815	2.1
463.30612	9.1
501.35748	2.1
513.35565	7.8
515.38013	2.2
527.37500	13.9
531.36603	1.9
543.36755	9.0
545.38708	1.8
547.35480	4.7
559.36371	2.5
560.36273	1.9
561.37518	12.4
607.43268	5.9
625.44659	7.9
641.43365	4.5
856.47504	2.0
857.46393	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	0.9
61.02937	2.7
65.03929	3.4
67.05508	82.6
68.05851	1.5
69.03434	10.3
69.07072	37.1
69.24818	4.3
71.01373	2.0
71.04981	7.5
73.02909	1.7
77.03914	1.9
79.05492	72.0
80.05818	1.0
81.03414	14.2
81.07058	100.0
83.04984	13.4
83.08625	15.7
84.08978	1.1
85.02895	7.4
85.06528	5.4
91.03994	1.4
91.05479	56.7
93.07048	72.8
94.70724	1.1
95.04971	19.6
95.08607	43.3
95.09218	2.2
97.02879	3.7
97.05942	2.2
97.06530	18.1
97.10164	6.3
98.23444	2.7
99.04447	2.0
99.08101	4.6
103.05519	1.9
105.04520	3.2
105.07033	44.9
107.04953	13.1
107.08593	44.3
109.02898	2.3
109.06523	8.4
109.10162	17.2
111.08066	6.3
111.72272	1.2
113.09678	2.0
115.05473	3.9
117.07014	23.5
119.08587	33.6
121.06478	5.7
121.10146	24.2
123.08113	6.4
123.11707	6.4
125.09641	4.9
127.03960	3.3
128.06223	2.5
129.05463	1.6
129.07010	7.5
131.08562	26.8
133.06458	1.5
133.10130	30.7
135.08022	6.4
135.11687	19.1
137.09608	5.7
139.11177	1.6
141.07004	4.4
142.07797	1.8
143.08562	6.6
145.06503	2.9
145.10127	22.5
147.08057	3.0
147.11682	14.1
149.09622	17.7
149.13260	17.9
151.11209	4.6
155.08578	4.0
157.10184	7.4
159.08069	2.6
159.11687	20.0
161.09598	2.0
161.13257	4.1
163.11153	10.3
163.14845	1.3
167.08597	1.8
167.14328	1.4
169.10118	5.5
171.08090	1.3
171.11694	5.1
173.04460	2.6
173.09639	1.3
173.13240	7.8
175.11176	2.5
175.14717	1.5
177.12740	6.6
177.54195	1.3
179.10690	1.3
179.14337	4.1
181.12285	2.2
183.11678	5.5
184.07339	2.7
185.13251	4.0
187.11156	2.6
187.14798	2.2
189.11160	2.9
189.12738	1.7
195.11942	2.2
195.13768	10.1
197.13289	4.3
199.14928	1.2
201.12720	1.3
205.12244	1.6
207.13995	1.2
211.14960	1.3
213.14818	1.6
215.14336	1.2
227.12796	5.0
227.18036	1.1
229.19615	3.1
237.16446	1.3
239.17961	3.6
241.19527	1.5
247.20566	2.7
251.16478	1.5
253.14355	3.2
253.18163	1.3
255.15924	17.9
257.18985	10.2
259.20612	2.9
267.15936	4.2
269.17474	65.5
275.20081	40.4
291.19543	2.0
293.21121	4.0
331.22696	3.7
349.23724	42.5
365.23331	1.4
367.24738	9.6
371.17151	1.7
413.21683	1.9
433.30820	1.7
435.27246	4.2
445.29492	2.0
449.28998	32.9
451.32166	3.1
463.30573	53.2
464.30789	2.0
469.33307	2.7
515.37335	1.6
525.35712	6.1
529.35626	5.9
543.36792	39.0
547.35645	2.3
550.04321	1.3
561.37616	9.4
607.34930	2.4
623.43066	5.9
641.44434	5.5
659.44116	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	856.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.6
65.03948	4.7
67.05511	86.3
69.03435	9.2
69.06703	2.6
69.07074	43.7
69.63983	1.1
69.64307	4.5
70.50995	1.1
71.01369	1.4
71.04999	8.1
73.02930	1.6
77.03937	1.3
79.05501	64.6
81.03426	16.3
81.07062	100.0
83.04987	17.4
83.05452	2.1
83.08622	17.2
83.09078	1.2
85.02906	6.3
85.06556	5.4
91.05488	60.5
93.07053	81.4
95.04984	19.8
95.08614	43.6
97.02915	4.2
97.06538	21.0
97.10172	11.2
99.08125	4.7
103.05495	1.3
105.04499	5.7
105.07034	50.0
107.04973	12.3
107.08601	47.4
109.02897	2.3
109.06526	8.1
109.10160	18.2
111.08071	7.4
113.05984	1.2
113.09689	2.0
115.05482	3.6
117.07018	20.3
119.08589	34.4
121.06528	6.2
121.10151	25.4
123.04530	1.0
123.08076	6.9
123.11732	6.5
125.09642	7.4
127.03950	4.2
128.06206	2.2
129.05484	1.9
129.07018	11.1
130.07776	1.8
131.08569	29.6
133.06548	3.0
133.10132	32.2
135.08055	7.7
135.11693	22.2
137.09645	4.6
141.07013	3.6
142.07802	2.1
143.08566	7.3
145.06479	2.9
145.10139	22.9
147.08073	3.3
147.11693	17.5
149.09634	17.1
149.13252	17.4
151.11200	4.5
155.08585	4.5
157.10126	9.1
159.08116	1.7
159.11710	20.1
161.09665	2.0
161.13258	8.3
163.11186	12.3
165.12842	2.4
169.10178	5.2
171.10393	1.6
171.11758	5.5
173.04482	3.5
173.09647	1.4
173.13261	7.7
175.11320	2.7
175.14787	1.4
177.12776	6.7
179.14348	5.0
181.10146	1.9
181.12285	1.5
183.11746	6.8
185.13226	3.2
187.11163	2.7
187.14928	3.3
189.11246	3.9
189.12759	2.2
195.11899	2.5
195.13873	8.2
197.13329	3.8
199.14810	1.3
201.12817	2.1
207.11737	1.4
209.13179	1.4
211.14932	1.6
213.14862	1.9
215.14281	2.1
217.15854	1.9
225.56946	1.1
227.12729	7.4
229.19542	3.3
235.16966	1.7
239.17949	5.5
245.13556	1.3
247.20670	3.0
251.16457	2.6
253.14429	2.5
255.15955	16.3
257.19052	14.2
267.15952	4.0
269.17490	51.6
273.18460	1.7
275.20096	47.0
291.19446	1.6
293.21054	3.3
331.22836	3.8
339.18594	1.2
349.23743	38.1
367.24945	8.3
433.30853	1.7
435.27460	3.6
445.29581	2.7
449.29071	28.8
463.30579	38.9
469.32993	2.4
503.33124	1.9
515.37396	1.8
525.35535	5.0
529.35571	10.7
543.28455	2.4
543.36816	47.5
544.37195	2.2
547.36072	3.4
561.38086	8.8
593.33594	1.4
607.34479	3.3
623.42944	5.7
641.43671	7.2
687.41449	1.4
705.41870	1.7
736.00208	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.4
65.03941	4.8
67.05506	80.6
69.03432	8.9
69.07070	39.2
71.01363	1.4
71.04997	7.2
73.02915	2.8
77.03945	2.2
79.05495	73.3
81.03423	16.1
81.07059	100.0
83.04984	15.0
83.08620	22.5
85.02920	6.8
85.06567	5.1
91.05481	68.8
93.07043	71.6
95.04965	18.6
95.08605	48.3
97.02905	5.9
97.06532	22.3
97.07119	1.8
97.10173	10.4
98.22691	2.0
99.04504	3.2
99.08103	3.2
99.96515	1.1
103.05470	2.2
105.04539	4.7
105.07032	55.4
105.63335	1.3
107.04958	13.1
107.08596	48.1
109.02894	2.8
109.06520	9.2
109.10159	18.4
111.04445	1.9
111.08075	7.2
113.06039	1.9
113.09673	2.3
115.05462	2.9
116.06246	2.0
117.07018	24.8
117.07796	1.7
119.08578	39.7
120.08909	1.0
121.06493	6.5
121.10149	21.8
123.04468	1.5
123.08075	7.7
123.11721	6.7
125.09655	8.6
127.03931	3.9
127.06523	0.9
128.06239	3.1
129.05487	1.7
129.07002	12.1
130.07809	3.5
131.04962	1.1
131.08572	29.3
133.06485	2.5
133.10127	29.8
135.08073	8.3
135.11693	24.1
137.09630	5.7
137.13252	1.2
138.04048	1.0
139.11191	2.5
141.06963	3.6
142.07774	2.4
143.08577	9.2
145.05025	1.5
145.06459	2.3
145.10129	26.8
147.08113	3.0
147.11690	17.7
149.09625	19.4
149.10806	1.3
149.13268	12.5
151.11197	4.5
153.09178	1.1
155.08548	6.1
156.09254	1.0
157.10109	11.0
159.08012	1.6
159.11685	23.6
161.09659	4.7
161.13232	7.5
163.11182	13.5
163.12434	1.2
165.12755	2.4
167.08583	2.3
169.10136	5.2
171.08044	1.2
171.11671	7.8
173.04512	4.4
173.09706	1.4
173.13263	7.9
175.11176	2.8
175.14832	2.4
177.12740	6.9
179.14339	4.5
181.10161	2.9
181.12222	2.5
183.11714	4.9
184.07344	1.6
185.09726	1.1
185.13280	5.4
185.50890	1.0
187.11261	2.0
187.14854	2.1
189.11267	3.8
189.12801	2.3
191.14503	1.0
193.12331	1.6
195.11894	2.4
195.13844	7.5
197.13258	4.2
197.14969	1.0
199.14943	3.0
201.12750	1.4
201.16479	1.3
205.12320	1.2
207.11818	1.4
211.14862	2.9
213.14821	1.7
215.18010	1.7
221.13370	1.3
227.12730	12.7
229.14389	2.2
229.19524	3.2
231.17448	1.1
233.15437	1.6
239.17993	4.8
239.45972	1.0
245.13760	2.5
247.20651	3.4
251.16396	1.6
253.18076	1.1
255.15840	13.8
257.19031	16.3
259.20474	1.2
267.15930	3.9
269.17477	43.6
269.20319	2.4
273.18723	1.8
275.20068	58.7
293.21170	6.4
309.20349	1.3
313.21722	1.6
321.24457	1.8
331.22775	3.6
333.24307	1.4
349.23727	48.2
365.23404	2.0
367.24835	10.4
395.20551	1.3
413.22110	1.6
423.27423	1.5
433.30780	1.8
435.27652	3.1
445.29358	2.4
449.29004	23.6
451.31949	1.9
463.24329	2.2
463.30527	26.2
466.93112	1.2
472.10306	1.3
503.33966	2.0
515.37238	2.1
519.32776	1.3
525.35754	5.0
529.35168	11.7
543.36816	46.6
544.37140	2.3
547.36261	2.5
561.38208	7.0
593.32996	1.7
595.43976	1.3
607.34833	1.3
623.43170	9.1
641.44244	5.9
651.38995	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	857.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24136	0.5
61.02929	3.2
67.05505	6.9
69.03425	3.1
69.07072	4.7
71.04993	0.9
71.45860	0.5
73.02924	2.0
79.05499	4.5
81.03431	1.8
81.07060	5.7
83.04992	1.4
83.08650	1.4
85.02901	3.6
90.18463	0.5
91.03960	2.5
91.05477	4.3
93.07051	3.6
95.04995	2.2
95.08628	2.5
97.02882	3.5
97.06566	0.6
97.10159	1.4
99.04460	0.6
101.02401	1.4
105.07031	3.3
107.04960	1.1
107.08609	2.7
108.43148	0.5
109.02888	1.1
109.06529	1.1
109.10188	1.8
111.08038	0.6
117.07059	0.9
119.08613	2.1
120.26163	0.5
121.06506	0.6
121.10183	1.0
123.08084	0.7
123.11732	0.5
125.09591	1.3
127.03938	1.0
128.06294	0.5
129.07048	0.7
130.16887	0.5
131.08618	1.8
133.10162	2.2
135.08095	0.6
135.11723	0.6
135.62268	0.5
141.07034	0.7
143.08562	0.9
145.10164	1.3
147.11736	1.1
151.11229	0.8
182.72462	0.6
193.12370	1.2
197.74913	0.5
223.13350	1.1
243.08287	3.3
253.14392	0.7
273.18341	0.6
275.20236	0.8
291.19592	1.6
301.09134	0.9
308.11545	0.5
313.17819	0.6
331.18842	2.9
335.25958	0.8
349.23917	0.7
355.14035	0.5
357.69125	0.5
387.21423	1.0
451.19470	0.7
531.25848	1.6
549.26654	9.5
621.28766	1.5
642.44385	0.6
653.97443	0.6
759.38873	1.7
817.57819	0.6
839.45374	5.8
857.46515	100.0
858.46460	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84516	3.0
60.08158	5.1
61.02925	3.2
65.03950	5.1
67.05505	100.0
69.03431	4.7
69.07070	33.2
69.79704	3.1
71.04996	5.6
77.02129	3.4
79.05495	67.2
81.03414	5.9
81.07059	75.4
83.04985	5.4
83.08608	19.0
85.06523	5.1
86.09704	18.0
88.07600	3.1
88.33212	3.0
91.04947	4.4
91.05482	65.7
93.07050	56.6
95.04949	14.9
95.08620	45.2
97.06535	9.3
97.10156	11.9
98.23488	8.6
105.07024	67.2
107.04935	5.6
107.08591	45.7
109.02882	3.6
109.06534	7.3
109.10168	55.7
111.08055	7.0
117.06995	18.7
119.08582	60.7
121.06485	5.1
121.10170	27.6
123.11698	5.2
125.00026	10.8
125.09608	12.0
128.06227	4.7
129.07002	17.2
131.08571	30.7
133.10130	39.1
135.08017	4.2
135.11719	15.8
137.09566	4.1
143.08597	16.4
145.10121	25.0
147.11668	31.2
149.09647	5.6
149.13206	8.4
155.08508	5.4
155.10709	4.5
157.10153	14.3
159.11716	20.2
161.13269	19.2
163.11201	6.6
169.10197	5.7
171.11697	15.8
173.11691	9.6
173.13248	14.2
175.14799	6.4
177.12836	4.1
181.10097	3.2
183.11691	8.9
184.07364	68.7
184.08932	2.2
185.13251	12.8
189.11232	6.7
195.11778	4.2
195.13638	5.0
197.13258	8.9
199.14844	5.3
209.13280	3.7
211.14784	6.4
227.12726	16.3
229.14352	38.7
231.21246	4.9
241.19446	19.9
257.18945	4.0
259.20587	53.9
269.17340	15.5
275.20114	23.9
293.21042	4.9
315.23413	5.9
333.24246	54.6
349.23669	10.1
351.25211	4.7
367.24701	22.6
453.33295	3.7
465.94528	4.0
487.34158	19.3
505.35114	32.9
513.35565	6.6
515.37628	10.4
527.37347	37.9
533.39771	6.7
543.36670	3.2
545.38062	14.0
546.28906	4.1
607.43585	28.3
625.44391	45.9
643.45209	5.2
844.32886	4.2
859.48511	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	859.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.8
65.03939	0.3
66.06340	0.2
67.05509	1.2
69.03431	3.4
69.07080	0.4
69.36139	0.5
69.36553	0.6
71.01368	0.5
71.05013	0.4
73.02917	3.4
79.05502	2.1
81.03416	3.9
81.07063	1.4
83.05003	0.7
83.08626	0.7
85.02905	6.6
85.03411	0.3
87.04506	0.5
90.37900	0.2
91.03949	3.1
91.05476	2.2
93.07053	1.1
95.04986	1.5
95.08693	0.5
97.02901	5.1
98.97692	0.2
99.04464	0.9
101.02370	1.5
105.07016	1.3
107.04991	0.4
107.08620	0.4
109.02888	0.8
109.06523	0.3
111.04483	0.4
111.08110	0.6
115.03915	0.3
117.07037	0.3
119.08587	1.2
121.10193	0.3
123.08080	0.3
127.03924	1.8
129.07048	0.7
131.08604	0.9
133.10165	0.9
145.04990	0.4
147.11734	0.9
149.09598	0.5
157.10187	1.0
165.12807	0.3
175.11223	1.0
175.92038	0.2
185.04268	0.5
193.12251	2.2
202.68385	0.2
203.05418	0.4
211.13327	1.0
243.08348	1.9
251.12566	1.5
269.12344	0.3
285.17087	0.5
307.15305	0.9
347.09467	2.6
365.10843	0.9
405.13678	4.8
405.18677	0.3
458.47412	0.2
469.20471	12.8
535.28741	0.4
562.04156	0.2
631.25665	12.0
632.26782	0.2
697.34015	2.5
704.78992	0.3
859.39270	100.0
860.39612	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	859.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.3
63.21262	0.3
63.30363	0.3
66.92102	0.3
67.05502	3.6
69.03432	3.5
69.07078	0.8
71.01365	0.7
71.04996	2.3
73.02918	4.3
74.15611	0.3
79.05482	2.0
81.03438	1.9
81.07062	5.4
83.05005	0.6
83.08613	0.7
85.02901	5.5
85.06557	0.4
87.04469	0.6
89.01879	0.4
91.03947	3.7
91.05480	2.0
93.07040	3.0
94.07353	0.4
95.04977	0.4
95.08562	0.7
97.02894	6.0
97.06553	0.9
99.04458	0.8
101.02380	2.2
105.07044	0.9
106.73839	0.3
107.08570	2.1
109.02912	1.3
109.10192	0.6
111.08118	0.9
115.03944	0.7
115.43471	0.3
117.07046	0.5
119.60919	0.3
121.10159	0.7
123.11755	0.8
127.03898	1.7
131.08603	0.4
133.10156	1.6
135.11778	0.7
139.07510	0.3
145.05034	0.6
149.13283	2.0
151.11185	0.9
159.11768	0.8
183.13885	0.6
185.04286	0.8
187.13345	0.8
195.13899	0.4
203.05316	1.0
218.39133	0.4
235.13036	0.9
243.08345	1.7
257.17557	0.7
267.15891	0.8
269.17606	0.9
291.15741	0.6
301.08902	0.5
323.18646	0.6
347.09402	2.7
363.09109	0.7
365.10437	0.9
405.13644	5.9
453.20959	8.5
453.26944	0.6
454.21527	0.4
485.23575	7.8
575.23157	0.7
615.26233	6.6
647.28882	6.8
697.37640	2.5
717.03632	0.4
729.37152	1.1
755.40601	1.0
758.36981	0.7
787.37244	3.3
859.42920	100.0
860.43311	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	859.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.5
67.05506	3.5
69.03444	2.0
69.07066	2.0
73.02924	1.8
79.05498	2.6
81.03423	1.9
81.07060	3.7
83.05006	0.8
83.08639	0.8
85.02908	2.9
90.41101	0.3
91.03951	2.4
91.05480	2.8
93.07047	2.4
95.05009	1.3
95.08631	1.3
97.02910	2.6
97.10091	0.4
98.23445	0.8
101.02409	1.3
105.07039	2.8
107.04985	0.8
107.08616	1.4
109.02876	0.4
109.06563	0.4
109.10180	0.9
117.07037	0.6
119.08637	1.8
119.09348	0.3
121.10155	0.5
125.09740	0.4
127.03955	0.8
129.05540	0.4
130.98834	0.3
131.08611	0.9
133.10182	1.4
135.11711	0.6
145.10161	0.7
147.11739	0.6
149.09610	0.5
151.11264	0.3
159.11740	0.7
161.37070	0.4
184.07312	0.8
185.04321	1.4
201.03758	0.8
203.05397	0.3
243.08406	3.2
251.88069	0.3
263.12589	0.5
270.95905	0.3
271.44916	0.4
275.20166	0.7
292.86328	0.4
301.08978	4.3
315.10724	1.3
315.19360	3.5
331.18881	0.5
337.46701	0.3
343.13821	0.5
355.13699	0.8
355.22580	0.4
357.15305	0.6
369.15570	0.5
371.21957	0.6
373.11258	1.6
379.21527	0.4
380.62042	0.4
385.18307	2.8
387.12991	0.6
413.17996	1.2
413.23138	1.0
415.16330	0.6
429.17685	0.7
443.18842	0.5
457.20572	1.0
459.23813	0.4
481.20538	3.0
495.22046	2.4
497.32571	0.5
533.27185	6.9
549.26489	1.0
550.28107	0.4
551.28253	1.2
563.25153	0.8
565.30261	0.9
567.26910	0.4
579.31671	1.6
592.28448	2.0
605.29291	1.8
621.31512	0.4
633.32574	1.2
647.33661	0.6
675.36859	1.8
676.37762	2.5
693.38513	1.4
705.38519	1.8
731.39404	0.9
747.42688	1.0
761.39966	0.5
773.40833	18.2
774.41278	0.7
813.45007	0.4
841.47534	2.1
859.47235	100.0
860.47388	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	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02930	2.8
64.25468	0.3
67.05506	5.1
69.03426	3.4
69.07071	3.8
71.05018	0.8
73.02921	2.9
79.05499	4.0
81.03413	2.0
81.07055	3.9
83.04987	0.9
83.08635	0.9
85.02905	3.2
86.09673	0.3
88.77707	0.3
91.03964	2.1
91.05486	2.8
93.07047	3.0
95.04992	1.4
95.08614	2.5
97.02902	3.2
97.06543	0.4
97.10190	1.5
98.23454	0.7
99.04487	0.6
101.02400	1.1
102.73357	0.3
105.07049	2.1
107.04960	0.6
107.08616	2.4
109.02883	0.7
109.06578	0.9
109.10199	1.3
117.07063	0.9
119.08550	1.9
121.06496	0.4
121.10181	0.8
123.08089	0.4
125.09634	1.5
127.03922	0.9
131.08626	1.0
133.10164	0.9
135.08043	0.5
135.11740	1.0
145.04941	0.3
145.10156	0.6
147.11716	0.7
149.13226	0.6
151.11235	0.3
157.10104	0.4
159.11717	0.4
161.13397	0.3
184.07372	0.7
185.04242	0.8
203.05399	0.4
205.12177	0.4
223.13393	1.0
243.08426	3.9
269.17657	0.4
291.19504	1.9
301.08893	0.8
331.18707	1.6
333.20404	2.1
341.88544	0.3
377.30234	0.3
385.18408	0.4
387.21515	0.6
389.23230	0.9
439.19653	0.9
453.20972	0.7
458.56073	0.3
469.21045	0.3
535.29022	0.3
549.26733	5.9
551.28217	5.8
623.30865	0.5
813.43591	0.5
859.48077	100.0
860.48492	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	859.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.7
67.05508	4.8
69.03436	3.2
69.07076	3.4
71.01381	0.5
71.05007	0.5
73.02924	2.5
75.89378	0.2
79.05505	3.8
81.03430	1.8
81.07065	5.4
82.97297	0.3
83.05003	0.8
83.08642	0.7
85.02914	3.8
91.03961	1.9
91.05482	3.3
93.07049	3.2
93.07603	0.3
95.04987	1.3
95.08626	1.8
97.02902	3.9
97.06532	0.5
97.10179	1.1
99.04479	0.7
101.02382	1.7
103.03953	0.4
105.04522	0.3
105.07045	2.3
107.04979	0.5
107.08591	2.1
107.09117	0.2
109.02900	0.8
109.06549	0.5
109.10151	1.2
109.50033	0.2
111.08098	0.5
117.05582	0.2
117.07043	0.8
119.08559	1.1
121.06539	0.3
121.10180	1.0
123.08109	0.4
125.09661	0.9
127.03962	0.8
129.07069	0.5
131.08586	1.1
133.10146	1.9
133.10982	0.2
135.08058	0.4
135.11726	1.1
137.09636	0.4
145.04987	0.3
145.10181	0.7
147.08044	0.3
147.11655	0.4
149.09645	0.3
149.13345	0.3
151.11237	0.5
157.10152	0.2
159.11682	0.3
161.09669	0.3
163.11266	0.4
184.07405	0.6
185.04294	0.6
189.11279	0.3
195.13756	0.3
201.03740	0.3
203.05319	0.6
208.84879	0.2
223.13409	1.1
231.71307	0.3
243.08421	4.5
259.07928	0.4
276.54163	0.3
291.16754	0.2
291.19476	1.5
301.09058	0.4
313.08990	0.3
331.18768	1.3
333.20374	1.5
344.16925	0.3
387.21774	0.5
389.23230	0.7
439.19516	1.0
453.20990	1.5
469.20789	0.6
474.76581	0.3
491.55789	0.3
508.07199	0.3
549.26752	7.2
551.28308	6.4
566.46790	0.3
761.41870	0.3
859.48126	100.0
860.48236	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	861.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02861	1.8
65.02431	0.2
66.70922	0.2
67.05435	3.1
69.03423	1.6
69.07059	1.8
69.34509	1.2
73.02913	1.5
79.05487	2.5
81.03414	1.2
81.07050	3.0
83.04928	0.5
83.08559	0.5
85.02901	2.2
86.09653	0.3
91.03944	1.3
91.05463	1.7
93.07050	2.3
95.04874	0.6
95.08588	1.2
97.02896	1.9
97.06470	0.3
97.10098	0.5
99.04379	0.5
101.02293	0.8
105.07037	1.1
107.08585	1.2
109.02796	0.4
109.06474	0.3
109.10077	0.6
117.06953	0.4
119.08488	1.0
121.10044	0.7
123.41782	0.2
125.09576	0.5
127.03853	0.7
129.06915	0.8
131.08511	0.4
133.10052	0.9
135.11627	0.4
145.10091	0.4
147.11598	1.0
151.11099	0.3
161.13174	0.3
184.07260	1.2
185.04150	0.6
185.07703	0.4
243.08351	1.9
247.13135	0.5
252.02780	0.3
278.11874	0.2
293.20847	0.3
301.08832	0.8
315.10416	0.3
333.20264	1.0
371.16537	0.3
413.17853	0.3
421.07806	0.3
439.19058	0.4
453.20969	0.5
465.20908	3.9
495.21939	0.3
525.22839	0.5
535.28735	0.8
549.26416	0.5
551.28241	4.2
552.28143	0.4
553.30060	1.2
567.25598	0.6
607.30133	0.4
609.31812	0.3
613.36816	0.6
635.33795	0.3
637.31647	0.4
705.34705	1.0
707.37933	0.3
723.35065	0.6
745.41101	0.7
759.42755	0.3
763.42426	1.4
775.42322	32.0
776.42236	1.2
815.47510	0.3
843.48425	4.3
861.48041	100.0
862.48248	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	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.8
65.03944	0.3
67.05505	4.0
69.03435	2.5
69.07070	2.6
71.01363	0.4
71.05000	0.4
73.02909	2.3
77.73214	0.2
79.05496	3.6
81.03418	2.0
81.07054	4.5
83.04990	0.8
83.08614	1.0
85.02902	3.2
86.09702	0.3
91.03938	1.8
91.05479	3.2
93.07048	2.9
95.04981	1.3
95.08617	1.9
97.02890	3.3
97.06547	0.7
97.10169	0.4
99.04465	0.7
101.02372	1.3
103.03976	0.3
105.04533	0.2
105.07022	2.0
107.08596	2.1
108.47403	0.2
108.75520	0.2
109.02901	0.6
109.06546	0.6
109.10168	0.9
111.04436	0.2
111.08073	0.2
115.03914	0.2
117.07053	0.8
119.08569	1.5
121.06490	0.3
121.10156	0.8
123.08122	0.3
123.11696	0.5
125.09641	0.3
127.03893	1.0
129.07050	0.4
131.08620	0.6
133.10110	1.1
135.08090	0.3
135.11674	1.2
137.09634	0.3
145.10149	0.6
147.11754	0.7
149.09668	0.3
149.13258	0.3
157.10069	0.3
159.11729	0.3
163.11235	0.4
167.28017	0.2
171.11732	0.2
173.13293	0.2
184.07385	0.5
185.04285	0.7
203.05293	0.5
209.01425	0.2
243.08392	2.8
301.09094	0.4
333.20346	2.9
389.23248	0.8
413.17712	0.2
439.19345	1.6
453.21002	1.5
469.20639	0.8
469.66937	0.2
551.28247	10.6
552.28845	0.2
623.30072	0.4
699.44794	0.2
763.42017	0.5
861.49615	100.0
862.50006	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	861.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.9
65.03929	0.3
67.05505	4.6
69.03429	2.7
69.07068	2.9
71.01366	0.4
71.05003	0.6
73.02921	3.1
75.00629	0.2
79.05498	4.8
81.03417	2.0
81.07058	5.1
83.04992	1.0
83.08617	0.6
85.02910	3.1
91.03958	2.3
91.05482	3.8
93.07046	3.2
95.04972	1.3
95.08607	2.1
97.02888	2.8
97.06540	0.7
97.10143	0.5
99.04457	0.7
101.02399	1.2
103.03935	0.3
105.07026	2.5
107.04974	0.4
107.08583	1.9
109.02896	0.6
109.06532	0.5
109.10190	1.0
111.08107	0.3
115.03944	0.5
117.07032	0.8
119.08553	1.6
121.10137	0.6
123.08070	0.3
125.09653	0.3
127.03925	1.1
131.08545	1.3
131.84706	0.3
133.10118	1.4
135.08081	0.4
135.11667	1.3
145.04999	0.4
145.10194	0.9
147.11758	0.5
149.09619	0.5
149.13318	0.6
157.10130	0.3
159.11707	0.5
163.11185	0.3
173.13217	0.3
184.07404	0.8
185.04224	0.7
221.11472	0.4
241.06927	0.3
243.08389	4.1
301.08990	0.3
303.19257	0.3
313.09299	0.3
333.20319	3.8
389.22974	1.3
418.50412	0.3
439.19543	2.4
453.21042	2.1
465.21231	0.3
469.20480	0.6
551.28253	14.8
552.27905	0.3
699.44525	0.3
763.42474	0.4
861.49628	100.0
862.49988	4.8
873.91669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08178	0.8
61.02928	5.8
67.05515	6.4
69.03431	4.4
69.07086	3.1
69.17245	1.0
69.17531	4.2
70.32950	0.7
71.05016	1.1
73.02910	4.0
79.05492	8.1
81.03429	2.9
81.07058	7.6
83.05009	0.8
83.08633	0.8
85.02905	5.9
86.09729	3.3
91.03950	4.3
91.05478	5.6
93.07045	6.8
95.04990	2.5
95.08606	3.4
97.02893	5.8
97.06533	1.0
97.10252	1.1
98.22707	1.5
99.04485	0.9
101.02395	2.5
105.07041	5.0
107.08641	2.4
109.02898	1.1
109.06554	1.0
109.10185	1.5
113.54746	0.7
115.03907	0.7
117.07048	1.6
119.08617	2.6
121.10161	1.2
125.00053	2.4
125.83035	0.6
127.03972	2.1
129.07068	0.8
131.08638	1.4
133.10187	2.0
135.11769	1.7
143.08630	0.8
145.10170	0.9
147.11714	2.3
171.11760	1.6
184.07338	12.7
184.08820	0.8
185.04259	1.2
185.07722	1.6
201.03850	0.8
243.08444	5.1
243.10599	0.6
247.13206	1.5
281.18130	0.9
301.09113	2.6
303.15674	0.8
315.10794	1.1
333.20416	5.6
341.12375	0.7
343.22946	0.8
373.11313	0.8
385.18445	1.9
429.17337	0.9
453.21445	1.5
465.20990	16.0
481.20593	1.1
502.36157	1.0
515.14832	0.7
525.23541	3.2
535.28894	4.4
549.25964	0.8
551.28339	13.3
609.33014	1.3
635.34204	1.1
641.36829	1.0
689.35211	1.2
695.39905	2.4
745.40826	1.5
763.42664	2.8
775.42352	84.8
776.42651	3.1
843.48340	11.1
861.49084	100.0
862.48462	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	861.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.7
61.03152	0.4
67.05502	2.8
69.03436	1.9
69.07066	1.8
69.09191	1.9
69.09593	0.5
71.04978	0.8
73.02924	2.4
73.03300	0.5
76.56851	0.3
79.05494	3.4
80.44124	0.3
81.03436	1.3
81.07053	3.5
83.04990	0.8
83.08630	0.8
85.02892	3.8
91.03943	2.1
91.05480	2.9
93.07038	2.9
95.04991	1.4
95.08627	1.9
97.02892	3.7
99.04491	1.0
101.02405	1.6
103.03982	0.5
105.06987	2.1
107.08627	1.2
109.02927	0.8
109.06488	0.4
109.10182	0.8
112.83998	0.3
117.07045	0.7
118.10465	0.4
119.08598	1.0
121.06570	0.3
121.10204	1.3
127.03944	1.2
129.05475	0.5
129.07007	0.4
131.08609	0.4
133.10156	0.9
143.08525	0.5
145.10150	0.8
147.11728	1.1
151.11208	0.5
159.11833	0.4
184.07347	0.7
185.04288	1.2
201.03740	0.7
210.42883	0.4
243.08418	4.0
247.13182	1.2
301.08896	4.2
313.09021	0.5
315.10217	0.7
317.20950	0.5
333.20496	1.7
357.15112	0.5
371.16989	0.7
373.11087	0.9
385.18454	2.6
413.17902	0.8
415.24744	0.5
429.17587	1.0
439.19739	1.2
453.21426	0.7
457.20499	0.4
465.21051	5.5
475.53680	0.3
481.20407	1.9
495.21994	0.8
523.50940	0.4
525.22809	4.0
535.28778	5.1
549.27136	0.5
551.28210	5.5
552.28473	0.7
594.30139	0.7
607.31091	1.3
609.32275	1.6
621.32318	0.6
638.49066	0.4
649.36206	0.5
651.33856	0.4
677.38629	1.7
695.39734	4.8
705.34613	0.7
707.40021	1.3
723.36145	0.7
733.41864	0.8
745.41638	0.6
763.42957	1.9
775.42310	43.1
776.42761	1.8
815.45300	0.5
843.48242	6.5
861.48749	100.0
862.49030	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	861.498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02748	3.9
61.03105	4.1
67.05312	4.3
67.05723	3.6
69.03238	2.2
69.03644	1.6
69.06865	1.9
69.07288	1.3
69.11511	1.7
69.11937	1.8
71.01208	0.7
71.04855	0.7
71.05180	0.7
73.02717	3.0
73.03178	2.0
79.05279	5.2
79.05798	2.8
81.03197	2.1
81.03713	1.1
81.06832	5.6
81.07383	2.7
83.04777	1.5
83.05321	1.0
83.08438	0.7
84.30434	0.5
85.02677	5.5
85.03259	2.5
91.03728	2.9
91.04349	1.1
91.05247	4.7
91.05881	2.0
93.06810	5.0
93.07478	1.8
94.87205	0.5
95.04760	1.2
95.08360	2.8
95.09023	1.3
97.02647	4.4
97.03353	1.6
97.06329	0.7
97.10014	0.5
97.10594	0.5
98.22701	1.2
99.04249	1.1
101.02158	1.5
101.02842	0.9
103.03749	0.6
105.06770	3.6
105.07537	1.1
107.04781	0.7
107.08331	2.9
109.02664	1.0
109.09938	1.3
117.06755	1.4
117.07524	0.9
119.08302	3.0
121.09917	1.3
121.10645	0.5
123.07852	0.6
127.03629	1.9
129.06830	0.8
131.08331	1.2
133.09830	2.6
135.11380	2.4
143.08310	0.6
145.04613	0.5
145.09842	1.3
147.11397	1.6
149.12961	0.8
156.72101	0.5
159.11441	0.7
161.13052	0.9
171.11459	0.9
184.07005	1.8
185.03896	1.7
201.03630	0.7
203.05042	0.7
207.13429	0.7
221.11174	0.9
241.06543	0.7
243.08377	5.3
247.12827	1.4
259.07489	0.6
299.19586	0.5
301.08929	2.9
303.15521	1.1
315.10080	1.6
331.18195	0.5
333.20419	3.5
371.16486	0.9
373.10730	0.8
385.18234	1.2
425.79550	0.6
439.19360	5.9
440.19443	0.6
453.20898	2.7
465.20987	13.4
469.20187	0.8
481.20093	1.4
499.23129	0.6
525.22791	1.8
533.27649	1.3
535.28748	7.3
549.26758	1.0
551.28247	12.9
553.26819	0.5
567.27081	0.7
595.29102	0.7
607.30371	1.0
613.37085	1.1
637.31927	0.5
641.36829	0.8
649.35858	0.5
651.32648	0.8
663.33838	1.8
677.36261	0.6
681.34521	1.0
705.34338	2.4
733.41272	13.2
745.41351	1.9
747.42651	0.7
763.42279	3.8
774.42346	0.8
775.42334	93.7
776.42731	3.1
843.33160	0.5
843.48480	14.6
844.48083	0.6
861.49182	100.0
862.48889	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	863.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.1
62.98682	0.5
67.05502	3.6
69.03441	1.7
69.07086	1.8
69.95647	1.1
69.96007	0.9
71.05000	0.6
73.02930	2.1
79.05502	3.3
79.92450	0.4
81.03444	0.7
81.07054	4.0
85.02893	2.4
86.09740	0.6
86.39075	0.5
91.03975	2.0
91.05498	2.2
93.07037	3.0
95.04980	0.9
95.08623	1.9
95.65228	0.5
97.02903	3.0
99.04467	0.7
101.02415	1.2
105.07023	2.3
107.08638	2.2
109.02922	1.0
109.10181	1.4
117.07117	0.5
119.08636	2.0
121.10197	1.4
125.00043	0.6
125.09653	0.6
127.03920	0.6
127.76219	0.6
131.08601	1.1
133.10182	1.0
135.11757	0.7
147.11690	1.0
161.13310	0.6
184.07349	2.8
185.04256	1.1
243.08496	2.4
270.89108	0.5
301.09128	1.5
313.08768	0.6
315.10754	1.1
316.56232	0.6
351.21506	2.9
407.24005	0.6
411.12366	0.5
465.21118	1.0
499.21826	0.5
535.28876	5.7
541.22382	0.6
569.29309	7.4
641.31384	0.8
863.51178	100.0
864.51556	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	863.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	2.4
67.05515	3.7
69.03442	2.5
69.07083	1.4
69.70267	1.7
73.02932	1.7
79.05486	2.6
81.03431	1.5
81.07053	4.4
83.04999	0.5
83.08621	0.8
83.26036	0.6
85.02898	2.9
91.03962	2.0
91.05495	2.2
93.07045	2.6
95.04997	0.9
95.08623	2.4
97.02874	3.3
97.06556	0.8
97.10203	0.5
101.02368	0.5
105.07064	1.9
107.08614	2.1
109.02931	0.8
109.10180	0.8
117.07083	0.7
119.08591	1.1
121.10159	1.0
125.09630	0.6
127.03971	1.3
129.07011	0.7
131.08580	0.8
132.00201	0.5
133.10139	0.9
135.11746	1.0
184.07327	0.6
185.04335	0.5
185.07626	0.4
216.46295	0.6
231.14333	0.5
243.08376	2.5
294.59219	0.5
333.20361	1.1
335.22021	1.4
367.21173	0.5
419.04791	0.5
439.19125	2.2
453.21298	1.7
469.19769	0.6
525.15894	0.5
551.28143	4.5
553.29736	5.3
554.30286	0.5
666.22864	1.3
695.83264	0.5
775.41766	0.6
777.43079	3.9
827.37469	0.5
863.51135	100.0
864.51660	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	868.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	26.0
69.03426	4.5
69.07058	6.9
69.26151	12.5
71.04989	4.2
79.05493	27.0
81.03413	66.3
81.07061	26.8
83.04974	10.1
83.08607	21.7
85.02906	19.1
90.24734	1.9
91.04942	3.4
91.05481	38.4
93.07045	19.2
95.01315	14.4
95.04961	27.3
95.08601	12.7
97.02873	8.1
97.06487	2.9
97.10169	6.1
98.22697	4.4
103.73625	2.1
105.07028	28.1
107.04938	12.7
107.08590	13.0
109.02872	4.0
109.06501	6.2
109.10140	7.6
111.04436	3.0
111.08085	10.4
113.05994	2.5
115.05462	2.8
117.07022	6.5
119.08591	20.8
121.06506	8.0
121.10140	10.9
123.04456	4.5
123.08007	5.5
125.02354	4.2
125.09594	3.9
127.07603	2.5
129.06998	15.4
131.04878	5.1
131.08572	17.6
133.06491	6.4
133.10112	21.0
135.04359	3.7
135.08047	3.5
137.05974	3.4
137.09584	3.6
141.01831	4.3
141.07001	2.8
142.07742	2.4
145.06517	4.3
145.10040	2.5
147.08032	6.0
147.11674	19.3
149.05968	2.5
149.09648	7.1
151.03897	7.7
157.10138	17.9
159.11684	4.3
163.11249	3.1
175.11201	18.0
177.12682	2.9
185.05872	2.7
187.11183	3.3
193.12224	42.8
194.09140	2.3
201.09264	2.1
205.12148	3.3
207.13831	3.9
211.13274	40.2
241.12355	2.1
267.15900	45.7
285.16949	42.8
287.12952	2.2
323.14639	3.3
326.97824	2.0
351.14310	16.5
368.96512	2.2
369.15549	5.2
383.76526	2.2
385.23666	3.6
404.60892	2.2
407.17017	3.0
425.17972	17.4
443.19040	18.4
459.21307	3.3
459.27390	34.0
461.20132	5.4
477.28641	24.5
509.27536	4.8
543.25336	3.6
561.26581	4.8
599.28296	6.6
617.29431	22.2
635.30603	100.0
636.30774	2.6
653.31635	53.5
671.32605	11.6
744.43756	2.4
808.28802	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	868.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.1
62.09949	1.6
65.03933	2.7
67.05157	2.6
67.05503	38.4
69.03419	5.3
69.07068	11.8
70.66997	1.7
71.01374	3.2
71.04977	5.9
73.02911	3.5
79.05492	32.1
81.03418	69.6
81.07056	39.0
83.04983	15.7
83.08620	22.1
85.02900	25.2
85.06537	3.2
91.03918	2.3
91.05481	49.2
93.07044	27.8
95.01345	9.0
95.04967	34.5
95.08592	18.5
97.02895	13.1
97.06509	6.0
97.10152	5.3
98.22713	3.8
99.00816	4.2
99.08088	3.2
101.02352	1.9
103.05494	2.0
105.03374	1.8
105.07026	35.1
107.04947	18.1
107.08591	12.0
109.02875	6.4
109.06527	9.1
109.10151	15.8
111.04448	6.5
111.08077	14.4
113.02338	1.8
113.06039	2.4
115.05453	2.8
117.07028	8.6
119.04937	6.0
119.08578	29.6
121.02872	2.0
121.06495	11.4
121.10130	13.7
123.00800	2.0
123.04427	9.1
123.08078	4.7
123.11695	4.0
123.73882	1.7
124.11214	1.5
125.02354	3.0
125.09619	3.4
127.03896	3.3
128.06209	2.2
129.06993	19.9
131.04915	6.2
131.08565	18.4
133.06485	9.3
133.10127	29.9
135.04430	9.6
135.08047	5.1
135.11685	2.9
136.95126	1.6
137.05943	2.0
137.09610	3.9
139.03905	3.9
141.01846	3.4
141.06996	2.0
142.07813	4.5
143.08568	6.9
145.06453	6.5
145.10091	9.8
147.04424	14.5
147.08075	9.9
147.11679	21.1
149.05974	5.3
149.09634	10.7
151.03888	9.3
151.11145	4.6
153.05446	2.2
153.06998	2.2
155.08530	3.7
157.06483	3.7
157.10103	19.8
159.04405	2.6
159.08058	3.2
159.11699	4.8
161.05984	4.8
161.09583	9.3
163.03886	6.2
163.11179	2.2
165.01912	2.2
165.05469	2.8
165.12758	5.1
167.08527	2.8
169.04944	5.9
169.10143	3.8
171.08069	4.6
171.11726	4.8
173.05984	5.0
173.09557	3.8
173.11729	5.1
175.03935	13.0
175.11185	21.3
177.05484	3.4
177.12785	2.1
179.03398	3.5
179.10657	4.6
181.10207	1.7
182.15244	1.5
185.05942	3.0
185.09575	4.9
185.13263	1.7
187.07599	2.7
187.11186	7.5
189.05486	3.0
189.09103	4.8
189.12750	3.9
191.03406	3.9
191.10669	2.0
193.12219	37.8
197.05954	1.9
197.09636	3.1
199.03841	3.6
199.07526	2.6
199.11176	3.8
201.09140	1.8
203.03427	1.6
203.10658	3.6
205.12250	5.6
207.10063	1.9
211.13274	43.0
213.05513	3.1
213.09038	1.8
215.10654	3.9
217.12207	2.9
225.09061	2.6
225.11041	2.4
227.10675	3.4
233.11720	4.7
235.13364	2.4
241.12260	5.6
243.10130	6.7
243.13899	1.8
245.11713	3.8
249.14844	1.9
251.10588	2.1
251.12895	3.6
253.12379	1.8
255.10205	1.8
259.13248	5.6
261.11200	2.9
267.15921	56.0
269.11667	6.8
271.13263	3.9
273.11356	2.2
279.12402	3.5
281.13663	1.9
283.15359	2.1
285.16965	40.4
286.17435	2.4
287.12778	24.5
289.14264	8.1
297.11087	3.1
299.14847	22.0
305.13843	7.2
315.12173	9.6
333.13321	22.0
340.35474	1.5
351.14368	8.9
369.15216	2.0
389.15912	2.6
407.16989	30.2
407.72110	1.7
425.17908	15.9
443.19186	9.3
459.27194	5.3
477.28357	5.1
491.26505	9.6
509.27478	51.8
539.26495	2.5
545.27283	2.1
557.27460	12.1
561.27283	2.6
563.28027	3.5
571.28595	3.0
573.29303	1.7
575.28461	1.6
581.27429	6.1
589.29816	4.4
599.28491	57.2
600.28040	2.1
607.30731	2.6
617.29510	77.7
635.30566	100.0
636.30493	4.6
653.31659	37.5
671.32697	2.4
779.34332	5.0
797.35712	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	870.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87686	0.6
61.02626	1.2
61.02926	16.3
65.03937	3.0
67.05502	49.3
69.03430	11.5
69.07066	14.6
70.04207	0.8
71.01341	2.3
71.04991	7.1
73.02914	13.1
73.06541	0.7
77.03911	1.4
79.05492	45.1
80.06274	1.0
81.03416	97.0
81.07055	46.5
82.03766	1.0
82.04197	5.8
83.01347	1.0
83.04980	30.8
83.08617	36.9
84.02110	1.5
84.05771	1.1
85.02906	41.1
85.06543	4.6
87.04482	1.4
91.03959	10.2
91.05479	48.9
93.07044	34.6
94.04187	1.3
95.04967	48.8
95.08601	16.7
96.05743	1.0
96.09343	0.8
97.02891	17.4
97.06525	10.6
97.10170	21.3
98.07305	7.1
99.04452	3.5
99.08099	3.2
101.06004	0.9
103.05460	1.1
105.04491	2.0
105.07028	32.4
107.04944	14.6
107.08592	19.1
109.02887	1.0
109.06507	9.1
109.10155	16.1
110.07298	0.8
111.04442	5.9
111.08084	17.7
113.06004	3.8
115.03951	0.7
115.05454	3.1
116.04705	16.1
117.05522	1.0
117.07022	5.3
119.04928	1.6
119.08581	29.0
120.09411	0.7
121.06493	3.8
121.10151	14.8
123.04437	0.9
123.08070	7.9
123.11704	2.2
125.05988	1.3
125.09628	21.2
127.03919	4.1
127.07536	1.3
127.11171	1.8
128.06213	1.0
129.05479	37.5
129.06966	15.8
130.07774	1.4
131.04968	1.0
131.08563	22.2
132.09360	0.9
133.06508	4.7
133.10127	18.9
135.08070	4.0
135.11690	7.2
136.08829	1.2
136.77902	0.7
137.06001	0.7
137.09602	6.1
139.07544	1.0
142.07787	4.3
143.07037	9.7
143.10713	1.3
145.04938	3.9
145.10127	7.3
146.10950	0.7
147.08054	6.0
147.11679	21.9
149.09604	10.8
153.09132	2.1
153.12747	4.2
155.08504	0.7
157.08606	17.0
157.10127	22.7
158.05746	1.9
161.09665	1.1
162.83617	0.7
163.06050	4.6
163.11169	11.0
164.12047	1.0
165.12764	5.9
171.06554	4.1
171.07753	0.7
171.10164	5.9
173.04561	1.0
173.09608	2.0
173.11790	3.7
175.11183	23.8
181.12178	4.6
185.08192	1.4
185.11707	1.9
189.11250	9.6
191.10637	4.4
193.12236	78.2
194.12534	1.0
199.09608	1.5
199.13290	18.9
200.12332	0.7
200.13988	4.1
201.12833	0.8
201.14757	1.1
205.12167	0.7
209.11708	10.9
210.12454	1.4
211.13283	100.0
223.13316	1.0
227.12772	17.8
229.14354	5.7
242.15146	1.0
247.13243	4.3
249.14806	2.5
255.15932	4.1
265.14386	2.1
267.15906	33.9
269.17392	0.9
283.15411	17.7
283.18646	1.5
284.16101	1.4
285.16953	63.8
301.16446	70.5
302.16766	0.8
311.21814	1.3
321.16986	2.0
339.18042	4.1
367.21259	0.9
382.27274	0.8
383.21973	1.1
385.23782	1.3
391.24789	0.9
409.25827	7.4
421.25668	2.5
427.26886	8.9
439.26852	26.8
440.26810	0.7
459.27255	3.4
475.27151	5.3
476.27722	3.8
477.28445	7.5
493.27972	19.8
494.28601	8.4
511.29022	78.8
512.28912	2.4
655.32971	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	870.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	3.2
67.05506	58.2
69.03432	13.6
69.07072	50.7
71.05026	5.3
79.05495	45.5
81.03425	10.2
81.07056	47.4
83.04973	6.8
83.08627	10.4
85.02895	2.6
85.06548	2.4
91.05479	41.7
93.07045	40.9
94.04205	1.4
95.04971	17.4
95.08607	32.8
97.02897	9.8
97.06530	18.8
97.07103	1.3
97.10168	16.6
98.23544	1.9
99.04447	1.1
103.05477	1.8
105.04529	3.1
105.07037	26.6
107.04961	13.3
107.08595	21.5
107.09269	2.0
109.02903	2.2
109.06519	8.1
109.10162	19.7
111.04433	2.4
111.08041	5.3
113.09666	1.6
115.05431	1.9
117.07027	12.6
119.04943	2.2
119.08585	24.7
121.06542	4.7
121.10130	9.0
123.04458	1.3
123.08096	5.6
123.11707	1.8
125.09650	11.7
127.03883	1.4
128.06216	1.5
129.05487	1.1
129.07025	6.5
131.08583	16.1
133.06494	5.2
133.10132	14.3
135.08075	6.7
135.11705	8.0
137.09605	11.1
141.06987	3.2
142.07802	1.3
143.08546	5.3
145.06586	1.1
145.10133	12.0
147.07985	6.4
147.11717	7.3
149.09631	14.2
149.13275	3.1
151.07574	1.6
151.11256	2.8
153.09113	1.7
155.10637	2.0
157.10153	4.4
159.08118	1.5
159.11699	8.6
161.09647	5.0
161.13281	4.2
163.11195	8.4
165.09113	1.8
169.10127	2.9
169.12318	1.6
171.10228	2.0
171.11694	5.2
173.11769	5.1
173.13286	5.3
175.11183	2.5
177.12804	4.3
179.14304	3.0
183.11664	1.8
184.07458	1.3
185.13261	1.5
187.14825	1.6
189.11191	5.5
191.22504	1.3
193.12245	2.4
195.11868	1.2
195.13889	1.8
205.12193	2.5
211.13216	2.1
223.13290	19.3
227.12779	6.9
227.17996	1.4
229.14293	8.0
229.19606	1.4
232.15672	1.3
233.15408	1.4
239.17970	2.3
245.18929	1.3
257.18988	5.1
263.20203	1.4
269.17532	1.3
273.18518	16.5
275.20047	19.7
276.20425	1.5
291.19550	100.0
292.19766	2.5
293.21237	1.3
347.22220	3.1
349.23727	26.4
365.23242	30.4
365.27600	2.4
407.70673	1.0
461.29129	3.7
519.33331	11.3
543.36761	4.8
559.35742	1.6
587.36633	1.2
621.41016	1.9
639.42499	34.6
655.42603	1.4
657.43829	1.5
870.42865	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	870.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75647	3.3
64.44225	3.5
65.03944	5.3
67.05502	100.0
69.03428	10.1
69.07076	56.7
71.04988	11.5
73.78387	3.1
79.05498	62.7
81.03437	14.6
81.07058	86.7
81.07504	7.4
83.04988	19.4
83.08631	16.1
85.02925	9.2
85.06576	7.6
91.05482	84.9
93.07050	65.1
93.07598	5.1
95.04956	24.3
95.08598	54.3
97.02898	9.1
97.06545	17.4
97.10183	5.8
98.23459	7.9
99.04472	6.1
105.04514	8.6
105.07027	72.1
107.04951	20.9
107.08597	45.3
109.06531	12.0
109.10157	59.9
111.08109	11.5
113.06030	4.1
117.07037	19.6
118.07752	4.4
119.08579	35.5
121.06540	12.5
121.10143	18.6
123.08069	8.7
123.11699	8.3
125.09681	8.3
128.06265	3.4
129.07047	8.2
131.08577	34.7
133.10139	74.6
135.08040	7.6
135.11703	13.3
137.09625	20.3
143.08534	11.9
145.10136	19.8
147.11693	16.7
149.09605	25.7
149.13293	4.8
151.11185	31.0
157.10158	8.2
159.07988	4.8
159.11618	18.0
161.09669	8.5
161.13342	4.7
163.11227	14.9
168.01958	3.5
169.12190	4.2
171.11653	3.9
173.11862	5.0
173.13271	9.0
175.11224	4.9
179.14278	5.9
179.34013	3.8
181.12224	5.0
185.13373	4.1
187.11143	5.2
227.12868	9.0
238.43735	3.7
239.17912	4.2
245.19106	5.0
253.14366	71.4
257.19077	10.4
273.18549	20.9
275.20126	39.4
291.19531	28.6
316.58749	4.4
347.22290	6.5
349.23755	46.3
365.23318	22.1
383.23825	3.8
431.27771	7.0
519.33124	7.7
543.36792	10.9
545.35217	21.2
623.43115	4.9
639.42792	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	872.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.0
65.03954	1.4
69.03423	3.1
70.09222	0.8
70.09534	1.2
71.01360	1.1
71.04993	67.4
73.02926	2.3
75.04475	4.9
76.77641	0.8
81.03407	5.8
83.04972	9.2
85.02904	100.0
87.04465	1.6
90.55458	0.7
91.05477	21.2
93.65330	0.7
97.02899	9.5
99.04458	1.8
103.03951	1.5
105.07053	1.7
109.02892	4.1
111.04456	5.6
112.47623	0.6
115.03934	0.7
126.03125	3.1
127.03931	4.7
129.05475	47.1
133.06480	4.0
141.05495	3.7
143.08383	0.7
145.04953	4.3
145.06461	0.7
146.08127	1.6
147.06520	32.2
157.04962	5.5
157.06137	0.7
161.04393	0.8
163.05974	1.6
164.09184	15.5
165.07567	1.8
167.03395	87.8
168.03732	1.1
175.07512	2.2
178.31969	0.7
184.85199	0.6
185.04454	13.7
201.09152	0.8
225.07693	1.1
237.07732	1.0
237.10977	0.7
253.10689	1.8
255.08623	4.2
273.09692	6.2
288.14407	1.7
288.87164	0.8
309.11752	14.9
311.07684	5.8
325.03531	0.9
329.08673	21.7
352.53293	0.6
434.20209	3.5
455.12048	1.4
456.12848	0.7
544.25769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.4
67.05505	14.1
69.03425	3.3
69.07066	4.6
70.31586	1.9
71.04983	3.0
73.02908	1.0
77.46632	0.8
79.05492	14.1
81.03416	65.8
81.07051	14.9
83.04976	6.9
83.08615	16.4
85.02903	10.6
85.06526	1.4
91.03950	2.8
91.05479	18.8
91.99498	0.8
93.07039	9.9
95.04969	22.2
95.08604	6.1
96.21172	0.8
97.02890	5.2
97.06527	3.5
97.10165	5.4
104.39550	0.8
105.07032	15.1
106.96571	0.8
107.04954	7.7
107.08599	6.7
109.02937	0.9
109.06494	4.9
109.10155	2.2
111.04449	3.0
111.08081	7.9
113.06015	1.6
115.05453	1.7
117.07016	3.7
119.04945	1.1
119.08585	13.9
121.06507	4.6
121.10141	7.1
123.04406	1.1
123.08067	2.9
125.09638	3.6
127.03925	1.1
127.46032	0.8
129.07002	9.3
131.08577	9.0
133.06509	3.6
133.10132	7.2
135.08081	1.9
135.11667	1.0
137.09616	2.4
142.07759	2.1
143.08557	1.8
145.06468	3.7
145.10121	2.4
147.04402	1.8
147.08054	3.2
147.11688	9.8
149.09637	6.6
157.06505	1.1
157.10118	13.0
161.05991	1.0
163.11240	1.8
165.12759	2.2
169.06451	0.9
171.08055	1.1
171.11661	1.6
175.11183	11.1
187.14845	0.9
189.11269	1.1
193.12231	30.0
193.13962	1.6
205.12241	1.0
211.11307	1.1
211.13249	13.2
219.13806	1.0
227.12721	1.3
229.14352	1.6
237.12750	1.3
249.14813	2.1
255.13924	1.7
259.13367	1.4
265.13730	0.8
267.15903	100.0
268.16110	1.3
273.14902	3.2
285.16971	12.4
339.23300	1.0
341.21109	1.8
349.21674	3.1
367.22784	7.4
381.09552	0.9
385.23782	8.0
403.24811	1.5
433.25833	15.5
441.26343	7.4
459.27386	74.3
460.27783	2.2
477.28476	49.5
478.28442	1.3
495.29303	2.4
501.28400	1.2
519.29388	3.1
529.23706	1.9
535.48047	0.9
585.30377	1.6
589.26324	1.9
603.31104	2.2
607.27423	2.1
621.32214	1.2
774.10638	0.9
782.63062	0.9
787.44305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.4
65.03950	4.4
67.05508	100.0
69.03437	9.8
69.07072	70.1
69.60158	4.9
71.04995	6.5
72.23186	1.2
73.02910	2.1
73.06544	1.3
77.03937	3.8
79.05497	78.9
81.03415	13.9
81.07060	84.8
82.07424	1.5
83.04996	12.1
83.08628	14.8
85.02917	9.3
85.06570	4.1
91.05486	85.4
93.07048	75.4
94.07442	1.3
95.04974	22.2
95.08609	57.3
97.02891	9.3
97.06537	17.4
97.10180	13.7
99.04462	2.7
99.08125	3.3
101.02446	1.3
103.05488	3.7
104.06291	2.0
105.04529	5.5
105.07035	74.0
107.04971	11.9
107.08598	41.3
107.09328	1.9
109.02892	1.4
109.06526	8.9
109.10171	29.5
111.04501	1.3
111.08107	5.8
113.06052	1.6
113.09632	2.1
115.05475	3.1
115.07575	1.6
117.07026	30.7
117.07886	1.8
119.08580	50.3
119.09415	2.6
121.06534	5.8
121.10151	27.3
123.08093	6.0
123.11742	4.6
125.09637	8.3
127.03929	3.8
128.06227	6.0
129.05496	4.0
129.07011	15.6
130.07788	3.5
131.08574	34.7
133.06493	3.6
133.10138	37.0
133.11154	2.2
135.08089	5.5
135.11710	13.7
137.09615	11.9
139.11150	2.1
141.07016	3.5
142.07825	3.5
143.08551	13.5
145.06529	2.5
145.10136	26.0
147.08075	3.7
147.11688	24.3
149.09621	19.6
149.13268	11.9
151.11227	5.0
153.09175	2.0
154.07739	2.0
155.08553	7.9
156.09343	1.7
157.10133	15.0
159.11716	22.0
161.09621	4.4
161.13252	12.7
163.11182	10.1
165.09187	2.4
167.08629	4.5
169.10194	7.4
171.10271	2.4
171.11655	12.3
173.09677	2.5
173.11781	5.1
173.13292	11.6
175.11209	3.8
175.14850	3.8
177.12769	7.0
179.10709	1.2
179.14352	4.8
181.10178	3.1
183.11722	6.2
185.13316	7.8
187.11218	2.3
187.14853	4.7
189.11209	2.7
189.12773	3.7
189.16408	2.2
195.11739	2.8
195.13826	4.0
197.13287	7.6
199.13251	2.1
199.14848	4.6
201.12836	1.9
203.14351	1.8
205.12282	1.6
209.13356	3.8
211.14926	1.5
213.16420	2.8
223.13063	1.9
223.15045	2.4
227.12817	4.5
227.17928	1.7
229.14299	6.8
229.19543	1.6
239.18004	3.7
241.19562	3.5
247.20543	2.6
253.14371	3.8
253.17973	2.6
257.18936	6.8
259.20529	11.5
267.16058	2.8
269.17517	7.5
273.18582	4.1
275.17105	1.5
275.20105	25.5
279.21304	1.2
291.19470	9.2
293.20990	2.4
297.22101	1.6
313.21738	3.2
315.23438	1.8
333.24365	10.3
335.25772	3.0
349.23773	20.4
351.25522	1.4
365.23642	1.7
383.24368	1.8
393.27655	1.4
421.30978	1.7
447.31015	1.4
487.34204	3.4
495.34344	1.7
513.35913	24.0
515.38025	2.3
527.37079	2.2
543.36627	5.9
555.36987	2.2
607.43463	11.2
623.42615	3.2
625.44427	12.0
641.43774	2.0
681.01794	1.5
873.43732	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	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.0
65.03947	6.5
67.05505	100.0
69.03423	12.8
69.07069	55.4
71.01377	2.5
71.04999	6.7
73.02903	2.2
77.03886	1.0
77.43926	1.2
79.05494	71.7
81.03416	15.7
81.07057	93.9
83.04979	16.6
83.08620	21.4
85.02911	9.2
85.06547	6.6
91.05482	63.3
93.07046	71.7
94.04215	1.4
95.01350	1.9
95.04967	23.0
95.08607	45.0
97.02895	7.7
97.06526	20.3
97.10162	11.7
98.22637	2.7
99.04442	2.0
99.08079	2.6
103.05490	3.1
105.04531	5.6
105.07029	52.2
107.04955	12.3
107.08591	37.3
109.02895	2.5
109.06530	9.6
109.10153	29.6
111.04427	2.2
111.08083	8.7
113.09644	2.4
115.05470	2.5
116.04676	1.1
116.06259	1.8
117.07019	21.3
119.08582	36.3
121.06480	6.8
121.10143	21.0
123.04444	2.1
123.08080	7.3
123.11722	4.1
125.09628	10.3
127.03912	3.9
128.06216	1.4
129.05482	4.1
129.06981	8.2
131.08566	26.6
133.06525	2.5
133.10129	28.5
135.08076	7.8
135.11708	20.3
135.72838	1.1
137.09613	13.0
137.63803	1.0
139.11145	1.9
141.06961	2.8
142.07793	2.0
143.08560	9.4
145.06473	2.0
145.10129	22.3
147.08055	3.8
147.11681	15.8
149.09628	23.7
149.13272	14.4
151.11197	4.6
153.09232	1.5
154.07967	1.1
155.08534	3.6
155.10646	1.4
157.10115	7.2
159.11696	18.1
161.09619	4.9
161.13260	7.1
163.11163	14.8
165.09206	1.1
165.12802	1.6
167.10701	1.7
169.08844	1.2
169.10110	5.1
171.10280	2.1
171.11710	6.2
173.04446	2.4
173.09706	1.4
173.11765	6.1
173.13275	6.1
175.11194	3.1
175.14813	1.5
177.12711	6.6
179.14317	3.8
181.10095	1.5
181.12224	2.6
183.11638	3.2
185.09686	1.6
185.13292	3.9
185.65576	1.2
187.11224	2.2
187.14763	2.0
189.11227	5.1
189.12721	1.4
193.12227	1.8
195.11916	1.9
195.13817	5.2
197.13293	3.9
199.13187	2.1
199.14893	1.8
201.12787	1.4
211.13196	1.5
213.16411	1.8
215.18121	1.5
223.13286	2.2
227.12740	6.9
229.14305	8.7
229.19543	1.5
233.15338	2.0
239.17995	2.3
245.19299	1.3
247.20526	2.8
253.18019	1.7
255.15875	10.0
257.19003	9.1
267.15878	2.1
269.17419	17.8
273.18604	4.2
275.20062	34.7
285.16864	1.6
291.19571	7.7
291.22479	1.5
293.21097	4.9
313.21716	2.4
321.24625	1.6
331.22656	2.8
347.22220	1.2
349.23730	35.1
365.23270	4.1
367.24887	3.7
409.25873	3.2
423.27512	8.7
431.27396	1.1
437.29135	1.8
445.29703	1.0
447.31528	2.2
447.50519	1.1
449.28543	2.3
497.78116	1.3
503.33444	1.7
527.37213	1.4
529.35400	7.4
543.36877	17.2
559.36047	1.4
561.37421	2.2
623.42657	5.6
641.43591	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	872.536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	4.1
65.03951	6.5
67.05503	100.0
69.03429	14.6
69.07067	70.7
71.01351	2.1
71.04990	9.8
73.02927	2.3
73.06529	1.2
77.03908	2.5
79.05492	74.0
81.03418	17.1
81.07055	85.9
83.04979	16.1
83.08617	19.8
85.02901	8.7
85.06532	5.9
91.05477	72.7
93.07043	69.3
93.07490	1.0
95.04964	23.3
95.08605	53.2
97.02885	9.6
97.06532	26.3
97.10171	16.5
98.23489	2.6
98.29262	1.1
99.04439	3.0
99.08086	3.9
103.05460	3.1
105.04530	5.3
105.07027	58.0
106.07374	1.4
107.04948	17.4
107.08591	44.3
109.02881	2.9
109.06531	10.4
109.09416	2.1
109.10155	38.0
111.04453	1.9
111.08083	8.2
113.06036	1.3
113.09631	2.1
115.05453	3.8
117.05566	1.0
117.07018	26.0
119.04903	2.4
119.08575	44.2
121.06495	8.0
121.10143	21.1
123.04415	1.4
123.08060	9.4
123.11678	5.1
125.09624	13.0
127.03889	4.0
128.06207	3.3
129.05496	3.2
129.06998	10.6
130.07774	2.6
131.04936	1.0
131.08568	27.4
133.06509	3.6
133.10127	36.8
135.08058	6.7
135.11690	17.7
137.09616	15.2
139.11180	1.7
141.07018	2.2
142.07866	1.6
143.08536	8.5
145.04930	1.2
145.06442	1.9
145.10120	23.3
147.08025	3.2
147.11684	18.7
149.09615	32.1
149.13283	10.0
149.67493	1.1
151.11201	5.0
153.09125	1.8
155.08597	5.8
155.10626	3.6
157.09055	1.1
157.10127	7.4
157.77205	1.1
159.08040	1.8
159.11687	16.8
161.09644	4.2
161.13260	10.7
163.11166	17.3
163.14717	1.2
165.12767	2.7
169.10112	7.2
171.10181	3.3
171.11702	9.1
173.04428	1.3
173.09535	1.5
173.11711	7.4
173.13263	9.1
175.11183	3.5
175.14803	1.1
177.08989	1.1
177.12749	6.7
179.14281	6.2
181.10150	1.9
181.12219	1.9
183.11708	4.3
185.13275	4.3
187.11163	4.3
187.14828	2.7
189.11188	5.8
189.12759	2.9
193.12201	2.5
195.11957	1.3
195.13721	6.1
197.13266	3.8
199.13235	2.0
199.14932	2.2
201.12773	2.5
203.14235	1.9
207.13931	1.5
209.13269	2.1
211.13106	1.3
211.14937	2.5
213.16425	2.3
223.13200	2.0
227.12753	11.5
229.14297	13.5
229.19476	2.7
231.17439	1.2
237.16542	1.4
239.17944	3.3
245.13664	1.4
245.19028	2.1
247.16862	1.4
247.20523	4.2
253.14244	2.0
253.18019	3.1
255.15749	6.4
257.18997	11.0
259.20581	2.6
263.20016	1.7
267.15988	1.7
269.17459	15.7
273.18484	4.9
275.20068	47.1
276.20404	2.7
285.16989	1.4
291.19650	8.0
293.21164	4.1
313.21475	1.7
321.24176	2.1
331.22690	3.3
333.24182	2.6
349.23730	45.9
365.23242	7.1
367.24817	2.6
383.24246	2.4
409.25632	4.2
415.29346	1.5
423.27441	6.5
431.27881	1.7
445.29559	2.4
447.31036	1.4
503.33572	4.3
505.34445	1.6
525.35754	1.9
527.37555	5.4
529.35187	7.0
543.36908	18.8
544.37268	1.7
559.35760	1.7
561.37701	2.3
605.42896	1.4
607.43134	2.8
623.42914	8.5
641.43597	3.9
671.92523	1.1
769.06470	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	874.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.7
65.03947	3.7
67.05503	100.0
69.03441	5.2
69.07068	34.5
69.16901	12.2
71.04983	6.4
78.18239	1.8
79.05489	57.4
81.03413	8.7
81.07057	81.9
83.04988	10.9
83.08624	23.8
85.02890	2.8
85.06540	5.1
86.09686	2.4
91.05480	44.3
93.07044	57.2
95.04968	13.3
95.08604	38.1
95.15921	1.7
97.02884	2.0
97.06526	18.9
97.10158	20.1
98.23424	3.8
99.08096	5.0
105.04522	3.1
105.07029	44.0
107.04933	12.0
107.08595	43.3
107.09263	3.9
109.02940	2.0
109.03765	1.7
109.06532	10.2
109.10151	41.0
111.08070	6.4
115.05460	2.3
117.07019	22.0
119.08582	30.5
121.06481	3.8
121.10147	18.3
123.08064	5.4
123.11747	5.0
125.09637	13.0
127.03886	2.5
128.06174	2.0
129.07010	6.1
129.19254	2.0
131.08559	25.2
133.06487	2.9
133.10135	29.3
135.08034	6.7
135.11700	17.1
135.50011	1.8
137.09610	5.8
139.11180	2.4
141.07016	4.4
143.08554	7.5
145.10123	19.7
147.11688	16.7
149.09634	17.7
149.13216	14.6
151.11267	3.0
155.08554	4.5
157.10144	6.5
159.11691	15.1
161.13277	6.7
163.11203	13.1
169.10127	3.9
171.10199	2.6
171.11671	4.0
173.04321	2.2
173.11725	8.8
173.13269	8.9
175.11166	2.9
177.12714	3.9
179.14384	2.1
181.12247	2.7
183.11720	5.6
184.07335	7.5
185.13185	3.7
189.11224	7.0
195.11916	2.5
195.13869	6.8
197.13240	3.6
220.86307	2.0
227.12753	15.1
229.14340	25.4
229.19524	3.0
239.18050	3.0
244.96402	1.9
255.15768	4.3
257.19101	9.5
259.20474	2.0
269.17426	30.2
275.20081	44.6
278.87189	1.9
289.46255	1.9
293.21039	5.7
331.22693	4.9
349.23779	39.4
367.24634	11.1
409.25916	6.4
423.27386	23.9
445.29099	2.8
449.28922	12.5
463.30594	30.4
503.33664	20.8
519.33136	3.2
521.34644	6.2
525.35681	8.8
529.35400	5.9
543.36829	49.1
544.37158	2.7
547.36377	4.0
561.37976	13.7
623.42999	14.6
641.44110	9.4
676.36670	2.5
690.02069	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	875.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.9
67.05513	0.9
69.03444	0.6
69.27083	2.0
81.03445	1.4
81.07074	0.7
85.02924	1.0
86.54517	0.4
91.05527	0.7
98.22775	1.1
98.97611	0.8
101.02422	0.4
103.61251	0.5
107.04967	0.6
109.10199	0.8
110.61470	0.4
116.98589	0.4
126.22342	0.4
131.00266	0.8
149.01303	1.2
174.91040	0.5
198.67191	0.4
249.08102	0.7
267.09009	3.5
269.10757	0.6
285.10065	3.5
293.05731	0.9
328.90970	0.5
377.44250	0.5
448.27985	0.5
455.10641	0.6
471.20975	0.4
497.30252	0.5
543.28717	0.7
647.22571	2.2
861.93774	0.5
875.36829	100.0
876.36768	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	875.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.3
67.05510	1.3
69.03423	2.6
69.07084	0.6
70.43255	0.5
71.01365	0.6
71.04999	0.7
73.02911	3.4
79.05498	1.3
81.03410	2.3
81.07065	1.6
83.04989	0.7
83.08627	0.6
83.66123	0.3
85.02904	5.8
85.06602	0.5
87.04496	0.4
91.03956	3.7
91.05492	1.5
93.07039	1.2
95.04974	0.8
95.08643	0.6
97.02898	4.7
99.04476	0.8
101.02396	1.3
105.07061	0.7
107.04961	0.3
107.08603	0.8
109.02872	0.7
109.10188	0.5
115.03941	0.4
116.62460	0.3
119.08595	0.8
121.10172	0.6
125.09641	0.5
127.03902	2.1
129.05524	0.8
131.08604	0.4
133.10139	0.6
135.11717	0.7
141.05235	0.7
145.04985	1.0
147.11737	0.6
157.04881	0.6
157.10150	0.5
169.04791	0.5
175.11206	0.6
181.12204	0.4
185.04253	2.7
193.12297	1.0
201.03702	2.5
201.07365	0.3
203.05304	1.5
209.11873	0.3
211.13394	0.9
215.67850	0.4
227.05394	0.5
243.08437	1.8
251.12671	1.5
257.06433	0.9
259.08096	0.4
269.12439	0.6
274.63431	0.4
275.07480	0.6
277.14334	0.7
291.15851	0.7
299.07495	1.0
301.08932	4.0
307.15253	0.7
315.10583	0.6
319.10114	1.6
329.08575	1.0
347.09473	13.0
349.16025	2.2
357.15128	0.5
359.09589	0.8
363.08905	6.3
365.10562	1.7
367.17502	1.3
383.16925	1.6
385.18240	1.7
395.16864	0.9
405.13608	6.1
413.17889	0.7
433.25699	1.5
439.19763	0.9
443.18695	0.5
451.19464	0.6
463.07654	0.6
463.14172	10.9
464.15393	0.4
467.19211	1.0
469.20441	4.5
477.15845	2.8
479.26047	0.5
485.19653	0.5
489.15814	0.8
497.20792	0.5
503.17551	1.7
517.19006	0.7
527.21008	3.1
529.22565	1.9
535.16290	2.4
541.23071	1.0
545.22174	3.7
547.23694	6.5
549.18317	0.6
557.22144	1.6
575.22839	0.7
591.22687	1.1
593.46075	0.4
601.24341	0.6
603.26538	0.9
605.24054	4.4
611.30646	1.2
613.32587	0.7
619.25940	1.1
629.24719	0.5
631.25714	12.2
641.31396	0.7
645.27148	0.5
647.24377	1.8
661.26953	2.3
673.26874	1.0
689.33331	1.5
690.27075	2.9
703.27795	4.9
717.29572	1.7
731.31354	2.5
745.33838	1.8
773.35858	4.7
774.36298	1.9
787.36066	0.7
803.37988	0.5
813.37708	1.0
815.36298	1.0
829.38770	0.6
857.38513	1.8
858.39252	0.7
875.38715	100.0
876.38928	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	875.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.6
66.68270	0.6
67.05515	2.9
69.03430	3.4
69.07064	1.2
70.41158	1.2
70.90891	0.5
71.01360	0.8
71.04985	0.8
73.02906	3.1
79.05484	2.8
81.03407	3.5
81.07049	4.3
83.05003	0.9
83.08577	0.9
85.02906	5.7
87.04535	0.7
91.03957	3.8
91.05480	2.6
93.07050	2.4
95.04971	1.0
95.08635	1.2
97.02904	5.5
99.04465	1.1
101.02386	1.6
105.07015	0.9
106.24963	0.6
107.08620	2.1
109.02888	1.3
111.08084	0.7
119.08611	1.0
121.10171	1.9
127.03918	2.0
130.92406	0.5
131.08571	0.9
133.10129	1.1
147.11702	0.6
149.09662	1.3
149.13310	1.3
159.11711	0.9
175.11176	0.8
185.04344	1.0
193.12239	1.4
195.14090	0.5
203.05348	0.7
225.14954	0.9
235.13155	1.0
243.08479	1.3
267.16153	0.8
269.17737	0.7
283.15213	2.7
339.17984	0.9
347.09491	2.6
373.11023	0.7
405.13605	5.6
419.03732	0.5
453.21005	8.0
455.10620	0.6
471.52853	0.6
472.59125	0.6
501.23035	7.2
615.26202	7.9
622.46442	0.7
663.28564	7.1
713.37244	3.4
866.54187	0.6
875.42413	100.0
876.42560	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	875.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99815	0.5
67.05504	5.8
69.03461	1.0
69.07088	2.9
71.05004	0.5
71.08659	1.3
71.43423	0.5
73.02923	0.9
79.05499	4.7
81.03439	0.8
81.06655	0.7
81.07053	3.6
82.07404	0.6
83.04985	0.8
83.08628	1.5
85.02918	0.7
91.05485	3.4
92.05833	0.5
93.07053	3.5
94.07418	0.6
95.04987	1.4
95.08606	2.5
97.02930	0.8
97.06535	0.8
97.10172	1.1
99.08131	0.9
100.21762	0.4
105.07021	3.2
107.08589	2.4
109.02892	0.5
109.06515	0.5
109.10174	1.7
110.65041	0.4
117.06987	0.6
119.08607	2.2
120.08939	0.5
121.10162	1.3
123.11725	0.7
125.09666	0.6
127.03928	0.6
129.07013	0.6
131.08583	1.0
132.79070	0.5
133.10181	1.5
135.11723	1.4
137.09601	0.6
145.10184	1.0
147.11700	1.1
149.02393	0.7
149.09648	0.8
149.13196	0.7
151.11214	0.8
159.11754	1.0
161.13322	0.7
163.11075	0.6
173.11893	0.5
173.13284	0.5
175.11314	0.5
185.04294	0.4
190.46584	0.5
197.82014	0.5
203.88931	0.5
227.12883	1.0
230.78481	0.6
243.08418	0.9
269.17548	0.6
275.20071	1.1
276.20605	0.7
282.70392	0.5
293.21207	0.5
349.23859	1.4
350.24448	0.5
351.25439	0.8
567.26117	0.9
608.12476	0.5
626.44989	0.7
747.38989	1.0
789.39917	3.3
857.45868	0.9
875.45599	100.0
876.45972	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	875.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.7
67.05508	5.5
69.03429	2.1
69.07071	2.5
71.08629	0.9
73.02937	2.2
79.05500	3.7
81.03404	2.3
81.07050	4.3
83.04997	1.4
83.08624	0.8
85.02912	3.3
91.03966	2.2
91.05469	3.6
93.07038	3.0
95.04993	1.5
95.08604	2.7
97.02899	2.6
97.06542	0.6
97.10168	1.1
99.04478	0.7
101.02398	0.6
104.99376	0.5
105.07008	2.4
107.04929	1.0
107.08615	1.9
109.06551	0.6
109.10168	2.0
111.08132	0.7
117.07038	0.8
119.08607	1.2
119.61198	0.5
121.06532	0.6
121.10185	0.9
123.08091	0.5
125.09632	1.0
127.03938	1.7
129.05571	0.8
131.08612	1.2
133.10178	1.3
135.08075	0.4
135.11705	1.1
137.06059	0.5
137.09595	0.7
145.10143	0.6
147.11749	0.5
159.11777	0.7
161.13315	0.5
173.11766	0.7
177.12747	0.8
182.30405	0.5
184.03662	0.6
184.07335	0.7
185.04276	1.5
189.11206	0.5
201.03763	0.7
219.81241	0.4
223.13347	1.2
227.12794	0.5
243.08319	3.2
269.17606	0.8
276.20547	0.7
291.19675	1.2
297.69275	0.5
301.08884	4.8
315.10547	1.6
331.18817	2.8
341.12085	0.6
351.25546	0.6
352.25961	0.5
355.13904	0.6
357.15054	0.7
357.20352	0.7
369.15170	0.6
371.21988	0.7
373.11298	1.4
385.18292	3.3
387.21399	0.5
413.18008	1.7
429.17508	0.7
429.22736	1.5
439.19269	0.5
443.19009	0.8
455.19116	0.5
465.21124	0.6
475.23456	1.1
479.19122	0.6
481.20477	3.1
513.32617	0.8
539.20819	6.0
549.26678	7.4
559.32611	0.9
567.26776	0.9
569.86536	0.5
621.28766	2.2
623.30328	6.2
635.30402	0.7
649.32013	0.8
691.36823	0.9
721.37982	1.9
743.36047	0.8
789.40240	22.3
790.39874	0.6
829.44025	1.1
857.46277	2.1
875.46680	100.0
876.46600	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	877.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.9
67.05509	2.9
69.07069	1.2
70.97585	0.8
79.05492	1.3
81.07076	2.3
85.02929	1.8
91.05486	1.9
93.07068	2.8
98.22689	2.2
117.79342	1.1
131.08572	1.0
181.78065	0.9
301.09207	1.2
301.13452	0.9
304.24448	1.0
401.15848	1.3
541.20471	2.9
551.27338	1.1
590.66284	1.1
625.29968	1.8
707.39319	1.7
711.37628	1.4
761.38391	2.0
779.39380	1.2
789.90411	1.0
790.39825	1.3
791.39807	100.0
792.39954	4.2
859.46631	6.5
877.47028	96.0
878.48120	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	877.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.2
64.55832	0.2
67.05507	2.1
69.03429	1.6
69.07069	1.5
69.49580	1.0
70.12856	0.2
71.01352	0.3
71.05000	0.5
73.02916	2.0
78.41634	0.2
79.05492	2.2
81.03413	1.3
81.07057	1.9
83.04993	0.4
83.08606	0.5
85.02914	2.6
86.09715	0.5
87.04447	0.3
88.04509	0.2
88.53682	0.3
91.03955	1.8
91.05487	1.8
93.07054	1.7
95.04992	0.6
95.08617	1.2
97.02902	2.4
97.06538	0.5
97.10191	0.4
98.22628	0.4
99.04471	0.5
101.02373	0.8
105.07032	1.5
107.08606	1.1
109.02908	0.5
109.06532	0.3
109.10163	0.8
111.08120	0.3
117.05494	0.5
117.07050	0.4
119.08606	0.8
121.10186	0.4
125.09639	0.5
127.03919	0.7
129.05519	0.6
131.08604	0.4
133.10153	0.9
135.11710	0.6
145.04984	0.3
145.10141	0.3
147.11763	0.3
159.11760	0.5
177.28343	0.2
184.07297	1.6
185.04230	1.3
201.03618	0.5
203.05379	0.4
223.13329	0.7
243.08388	2.4
247.13017	0.3
251.09691	0.3
263.12534	0.7
301.08926	3.3
313.08884	0.4
315.10559	1.1
327.10696	0.2
333.20313	1.4
341.12112	0.4
357.15454	0.3
359.21875	0.3
365.23108	0.8
369.15225	0.5
371.16895	0.4
373.11096	1.2
383.16882	0.4
385.18362	2.4
413.17993	0.8
429.17368	0.5
431.24216	0.3
439.19247	1.4
443.18857	0.5
449.25272	0.2
453.21188	0.7
457.20291	0.3
463.26550	0.3
465.21024	0.4
469.20273	0.4
477.24402	0.3
481.20557	2.3
487.18661	0.5
498.21780	0.2
515.33948	0.5
527.27856	0.3
535.28851	1.4
541.22571	4.1
551.28296	5.0
567.26300	0.9
583.30762	0.9
593.29230	0.4
623.30200	1.1
625.32159	1.5
637.31409	0.6
651.33661	0.5
655.32574	0.4
665.35718	0.3
679.35321	0.3
693.38013	0.6
711.38574	0.6
723.38922	0.8
739.81525	0.2
749.40607	2.4
775.43549	0.4
791.41882	9.0
838.45435	0.2
859.47015	1.6
877.47888	100.0
878.48279	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	877.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.9
67.05499	2.4
69.03430	1.4
69.07059	1.7
71.04995	0.7
73.02934	1.9
73.63364	0.3
74.35934	0.3
79.05498	2.1
81.03423	0.7
81.07063	1.7
83.04993	0.6
83.08611	0.7
85.02902	2.1
86.09686	0.7
90.91380	0.3
91.03962	1.3
91.05460	1.5
92.82561	0.3
93.07040	2.1
94.45991	0.3
95.04978	0.7
95.08606	1.3
95.47066	0.3
97.02898	2.0
97.06522	0.5
97.10146	0.5
99.08079	0.3
101.02396	1.1
105.07032	0.9
107.08606	1.1
109.02880	0.6
109.10146	0.7
112.52926	0.3
119.08595	1.1
121.10159	0.6
126.18177	0.3
127.03923	0.5
131.08566	0.7
133.10150	1.0
135.11674	0.6
145.10030	0.4
159.11803	0.3
160.81238	0.3
171.27153	0.4
184.07314	3.0
185.04285	0.8
187.42583	0.3
233.76196	0.3
243.06380	0.3
243.08359	1.9
276.61694	0.3
301.08945	1.3
315.10641	0.5
333.20325	0.9
343.13724	0.5
365.22977	1.4
371.16837	0.5
373.10968	0.6
375.52472	0.3
385.18369	0.9
413.17856	0.4
439.19611	1.5
453.20798	0.4
465.21091	0.8
481.20657	0.8
525.23077	0.5
535.28888	2.6
541.22339	0.8
551.28497	1.6
567.26489	0.8
583.30804	1.9
585.25818	0.4
623.30255	0.5
655.33038	0.6
733.40930	0.6
749.40607	2.8
775.41705	1.2
791.41895	5.3
859.47797	1.3
877.47766	100.0
878.48181	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	877.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.4
65.03970	0.3
67.05520	3.5
69.03443	2.9
69.07071	1.8
71.01361	0.5
71.05003	0.9
73.02922	2.8
78.04300	0.3
79.05499	3.0
81.03426	1.7
81.07062	3.4
83.04983	0.6
83.08637	0.7
85.02919	3.5
86.09725	0.6
87.04472	0.6
87.10069	0.4
91.03976	2.9
91.05492	3.2
93.07056	3.8
95.04986	1.4
95.08611	1.6
97.02908	3.4
97.06549	0.8
97.10183	0.8
98.23616	0.3
99.04483	0.5
101.02405	1.1
105.07037	2.0
107.08645	1.6
109.02912	0.6
109.06544	0.5
109.10176	1.0
111.08063	0.3
116.35111	0.3
117.07045	0.6
119.08624	1.4
121.10165	1.4
122.14451	0.3
123.08134	0.3
125.00047	0.6
125.09622	0.5
127.03958	1.3
129.05527	0.5
129.07037	0.4
131.08607	0.9
133.10181	1.1
135.11734	0.9
139.69299	0.3
145.05006	0.5
145.10129	0.7
147.11739	0.8
149.13280	0.4
159.11771	0.8
169.10265	0.5
171.11671	0.4
184.07388	1.9
185.04297	1.0
203.05301	0.5
221.11664	0.4
241.06944	0.4
243.08429	3.8
301.08878	3.8
313.09329	0.5
315.10590	1.2
327.10327	0.3
333.20474	1.4
341.11893	0.4
349.20047	0.8
357.15375	0.7
365.23047	1.4
369.15146	0.4
371.17029	0.6
373.10999	1.4
383.16953	0.4
385.18445	2.3
387.12476	0.5
413.18100	0.9
429.17535	0.9
431.23798	0.7
439.19531	1.2
443.19159	0.4
453.21167	0.7
457.20465	0.4
465.21262	2.0
465.26999	0.4
469.20340	0.4
469.88104	0.3
477.24734	0.9
481.20425	2.6
489.44296	0.3
495.21826	0.5
499.21500	0.4
500.22452	0.5
515.33466	0.5
535.28906	3.5
536.85962	0.3
541.22723	2.9
551.28290	4.4
561.33972	0.4
567.27240	1.3
583.31104	2.6
593.29352	0.4
610.29138	0.5
623.30591	1.3
625.32220	1.1
637.31573	0.4
651.34393	0.5
665.35004	0.5
693.37793	1.4
711.39270	0.5
723.39093	1.1
733.41241	1.0
749.40552	1.5
761.41980	0.4
763.42120	0.6
775.42938	2.4
779.41388	0.7
789.44318	0.7
791.41907	19.4
792.42084	1.0
859.47986	2.6
875.47021	0.4
877.49652	100.0
878.49457	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	877.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.8
67.05514	3.9
69.03451	1.7
69.07066	2.1
71.01380	0.4
71.05008	0.7
73.02918	2.2
73.07922	0.3
79.05511	3.8
81.03447	1.7
81.07070	3.5
83.05026	0.5
83.08638	0.9
85.02914	3.1
86.09725	1.4
87.04542	0.4
91.03983	1.6
91.05503	2.6
93.07056	3.0
95.05000	1.4
95.08636	1.7
97.02374	0.6
97.02892	2.5
97.06573	1.4
97.10206	0.4
99.04520	0.4
101.02410	1.1
105.07033	1.9
107.08627	1.7
109.02953	0.6
109.06516	0.7
109.10213	1.0
111.08135	0.4
112.74200	0.4
117.07050	0.6
119.08629	1.0
121.06551	0.4
121.10187	0.8
123.08102	0.5
127.03970	0.8
131.08664	0.7
133.10175	0.9
135.11739	0.7
137.24590	0.4
148.30212	0.4
175.38855	0.3
184.07358	3.3
185.04330	0.7
185.07759	0.4
204.37517	0.4
209.85045	0.4
220.77277	0.3
243.08412	2.2
275.77179	0.4
301.09128	0.4
313.46185	0.4
333.20554	1.1
345.04089	0.4
349.19873	4.0
391.92627	0.4
395.29694	0.5
439.19144	1.8
453.21274	1.3
549.26849	0.9
551.28284	4.9
567.27600	3.3
569.29333	1.1
623.31232	0.5
634.98950	0.4
689.30652	0.5
699.20929	0.5
779.40723	0.6
877.49231	100.0
878.49139	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	877.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.8
67.05505	4.5
68.54147	0.3
69.03430	2.5
69.07075	2.6
69.75983	1.2
71.01359	0.5
71.05007	0.9
73.02909	3.0
73.88120	0.4
79.05495	3.5
79.93941	0.4
81.03433	2.3
81.07055	4.0
83.04989	0.6
83.08632	1.4
85.02908	4.4
87.04435	0.6
91.03975	2.5
91.05495	2.9
93.07051	4.0
95.05013	0.6
95.08595	1.8
97.02895	4.3
97.06554	1.2
97.10164	0.5
99.04463	0.9
101.02391	1.3
103.03932	0.8
105.07051	1.2
107.04964	0.5
107.08572	2.4
109.02902	0.7
109.10184	1.5
115.03935	0.7
117.05509	0.7
117.07044	1.0
119.08606	1.1
121.10159	0.6
127.03955	1.8
129.05530	0.7
131.08607	1.0
133.10175	1.4
135.11697	2.4
145.10143	0.5
149.13200	0.6
159.11734	0.7
163.11206	0.6
181.12257	0.5
184.07375	0.6
185.04295	1.5
201.03717	0.5
221.11537	0.7
223.13210	0.5
235.13437	0.4
243.08426	3.5
255.16127	0.8
263.12607	0.8
275.20059	0.5
301.08939	5.1
303.19461	0.4
315.10641	1.4
319.15311	0.5
327.10532	0.6
333.20377	4.1
343.14172	0.5
355.13577	0.7
357.15338	0.7
359.22141	0.7
369.15259	1.0
371.16949	0.6
373.11237	1.5
373.23615	0.7
385.18369	2.9
389.23108	1.1
413.17917	1.1
429.17493	1.2
431.24329	1.2
439.19415	8.7
439.25433	0.6
453.20981	1.9
457.20462	0.5
469.20331	1.0
477.24994	0.8
481.20496	4.1
499.21912	0.7
500.21881	0.6
511.21594	0.6
515.33557	0.7
533.27484	0.4
541.22498	4.9
551.28229	12.9
551.36554	0.7
561.33698	0.5
567.28107	0.5
584.31897	0.5
597.29980	0.5
610.29944	0.6
623.30841	3.3
625.31952	2.0
637.32062	1.3
651.33441	1.2
665.35132	1.1
679.34589	0.7
693.38232	1.1
711.39172	0.7
723.39764	1.3
737.41486	0.4
749.40735	24.0
750.41278	1.3
773.40363	0.5
791.41748	18.4
859.48181	5.0
860.48279	0.5
877.49078	100.0
878.48907	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	877.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.1
63.66518	0.6
67.05499	5.1
69.03433	1.6
69.07079	2.2
70.98933	0.6
71.04996	1.1
73.02929	2.5
79.05494	6.1
81.03419	3.3
81.07055	6.7
82.38811	0.6
83.04998	1.4
83.08616	1.6
85.02882	3.7
91.03968	1.9
91.05477	3.8
93.07041	6.0
95.04981	2.9
95.08601	3.3
97.02917	2.6
97.06547	2.4
97.10152	0.8
101.02393	1.4
105.04536	0.8
105.07077	2.4
107.08633	2.9
109.02930	0.8
109.10155	1.5
111.08092	0.7
117.07022	0.8
119.08613	1.5
121.06549	0.7
121.10178	1.6
125.00020	0.9
125.09618	0.9
127.03939	0.7
129.07022	1.0
131.08640	1.7
133.10152	2.0
135.11765	1.6
143.08781	0.7
145.10172	1.0
147.11771	1.0
149.09624	0.7
149.13239	0.8
157.10205	1.4
157.15353	0.6
162.13535	0.7
184.07333	3.1
185.04268	0.7
193.12332	1.3
194.12717	0.8
198.94453	0.6
201.54912	0.8
211.13344	1.7
233.19052	0.7
243.08397	3.0
267.15903	0.7
272.30432	0.7
285.17093	2.6
286.17313	1.1
307.22650	3.0
308.23203	1.9
323.86768	0.6
333.20529	1.3
349.19852	3.4
439.19525	2.6
453.21066	1.4
469.20398	0.9
500.34714	1.1
517.35394	2.3
518.35699	6.1
551.28564	4.3
567.27631	3.6
687.45074	0.8
733.33331	0.7
877.49097	100.0
878.49414	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	877.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.8
63.76617	0.3
67.05507	2.8
69.03434	2.5
69.07071	2.2
69.62251	0.6
69.62594	1.0
71.01361	0.4
71.05009	0.9
73.02918	2.8
79.05492	2.3
81.03435	1.6
81.07060	3.2
83.05006	0.6
83.08637	0.6
85.02905	3.9
87.04513	0.3
91.03960	2.7
91.05495	2.1
93.07041	2.5
95.05017	0.9
95.08628	1.4
97.02882	3.4
97.06539	0.4
97.10196	0.5
99.04488	0.6
101.02370	1.6
105.07040	1.6
107.05006	0.4
107.08621	1.5
109.02866	0.5
109.06484	0.4
109.10184	1.2
117.07057	1.0
118.98498	0.3
119.08615	1.0
121.06538	0.5
121.10178	0.8
125.09626	0.4
127.03972	1.5
129.05489	1.3
131.08626	0.7
133.10176	0.7
135.11736	0.7
143.08604	0.4
145.04977	0.6
147.11684	0.4
149.02376	0.4
149.09622	0.3
149.13336	0.5
159.11743	0.5
163.11240	0.3
171.06602	0.4
173.11746	0.5
183.06419	0.4
184.07364	0.9
185.04240	2.3
201.03802	1.0
203.05295	0.6
221.11697	0.4
223.13304	0.9
243.08405	3.4
243.58438	0.3
259.08093	0.4
263.12607	1.1
301.08951	7.6
303.19171	0.3
313.09152	0.6
315.10516	2.0
315.19406	0.4
327.10794	0.6
333.20355	4.8
341.12173	0.6
345.20966	0.3
355.13913	0.4
357.15372	0.8
359.22061	0.5
365.22906	0.4
369.15286	0.7
371.16895	0.7
373.11044	2.9
373.23672	0.9
383.17114	0.4
385.18347	4.8
387.12772	0.7
389.23126	0.5
413.17682	2.2
415.15723	0.5
429.17422	2.1
431.24219	1.8
439.19116	1.7
443.19174	0.6
449.25055	0.7
453.21255	1.2
457.20593	0.6
469.20468	1.8
477.24725	1.7
481.20404	4.8
499.21277	0.8
500.22437	0.9
513.22650	0.4
513.27344	0.5
515.33350	1.5
535.28809	1.4
541.22656	5.7
551.28290	9.3
561.33844	0.7
567.27960	0.9
579.28333	0.3
583.30981	1.6
584.31744	0.8
593.29883	0.7
604.28174	0.4
610.29645	1.3
623.30298	3.2
625.31763	2.3
629.36755	0.4
637.32111	1.2
651.33337	1.0
665.35352	0.7
693.38080	1.9
694.38507	0.5
711.39270	0.9
723.39459	2.3
749.41022	1.9
791.41815	24.9
792.42267	0.9
859.47852	2.2
877.49396	100.0
878.49896	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	877.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.4
65.03970	0.3
67.05520	3.5
69.03443	2.9
69.07071	1.8
71.01361	0.5
71.05003	0.9
73.02922	2.8
78.04300	0.3
79.05499	3.0
81.03426	1.7
81.07062	3.4
83.04983	0.6
83.08637	0.7
85.02919	3.5
86.09725	0.6
87.04472	0.6
87.10069	0.4
91.03976	2.9
91.05492	3.2
93.07056	3.8
95.04986	1.4
95.08611	1.6
97.02908	3.4
97.06549	0.8
97.10183	0.8
98.23616	0.3
99.04483	0.5
101.02405	1.1
105.07037	2.0
107.08645	1.6
109.02912	0.6
109.06544	0.5
109.10176	1.0
111.08063	0.3
116.35111	0.3
117.07045	0.6
119.08624	1.4
121.10165	1.4
122.14451	0.3
123.08134	0.3
125.00047	0.6
125.09622	0.5
127.03958	1.3
129.05527	0.5
129.07037	0.4
131.08607	0.9
133.10181	1.1
135.11734	0.9
139.69299	0.3
145.05006	0.5
145.10129	0.7
147.11739	0.8
149.13280	0.4
159.11771	0.8
169.10265	0.5
171.11671	0.4
184.07388	1.9
185.04297	1.0
203.05301	0.5
221.11664	0.4
241.06944	0.4
243.08429	3.8
301.08878	3.8
313.09329	0.5
315.10590	1.2
327.10327	0.3
333.20474	1.4
341.11893	0.4
349.20047	0.8
357.15375	0.7
365.23047	1.4
369.15146	0.4
371.17029	0.6
373.10999	1.4
383.16953	0.4
385.18445	2.3
387.12476	0.5
413.18100	0.9
429.17535	0.9
431.23798	0.7
439.19531	1.2
443.19159	0.4
453.21167	0.7
457.20465	0.4
465.21262	2.0
465.26999	0.4
469.20340	0.4
469.88104	0.3
477.24734	0.9
481.20425	2.6
489.44296	0.3
495.21826	0.5
499.21500	0.4
500.22452	0.5
515.33466	0.5
535.28906	3.5
536.85962	0.3
541.22723	2.9
551.28290	4.4
561.33972	0.4
567.27240	1.3
583.31104	2.6
593.29352	0.4
610.29138	0.5
623.30591	1.3
625.32220	1.1
637.31573	0.4
651.34393	0.5
665.35004	0.5
693.37793	1.4
711.39270	0.5
723.39093	1.1
733.41241	1.0
749.40552	1.5
761.41980	0.4
763.42120	0.6
775.42938	2.4
779.41388	0.7
789.44318	0.7
791.41907	19.4
792.42084	1.0
859.47986	2.6
875.47021	0.4
877.49652	100.0
878.49457	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	877.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.5
67.05502	3.6
69.03439	2.3
69.07091	2.3
73.02940	3.0
73.09940	0.6
79.05518	3.0
81.03413	1.2
81.07077	2.8
83.08636	1.5
85.02918	3.4
85.06580	0.7
86.09707	1.6
91.03969	1.5
91.05499	2.4
93.07068	2.1
95.05018	0.7
95.08658	1.7
97.02889	3.3
97.10200	1.4
98.29623	0.7
99.04507	1.1
101.02395	1.2
105.07054	1.0
107.08627	1.5
109.02841	0.8
109.10184	1.8
117.05544	0.7
119.08642	1.2
125.00024	1.6
125.09647	1.8
127.03948	0.7
131.08598	0.8
147.11778	0.8
181.04733	0.9
184.07314	8.3
185.04259	2.1
201.03767	1.1
203.05437	0.7
243.08533	2.2
263.12659	1.5
301.08847	6.8
315.10672	2.0
324.74561	0.8
327.10669	0.8
333.20328	4.9
345.09546	0.7
357.15198	0.9
369.15073	0.8
373.11224	2.0
373.23447	1.4
385.18338	4.8
389.23007	1.0
413.17856	1.2
429.17645	2.1
431.24191	2.1
439.19458	0.8
481.20383	5.3
515.34106	0.8
541.22864	2.0
551.28253	8.2
567.27692	1.1
610.29431	0.9
623.30817	2.3
625.32050	3.1
642.13818	0.7
651.33386	1.0
693.37976	1.6
711.39563	1.2
723.39691	1.9
775.43329	1.0
791.41718	18.9
792.42096	1.0
831.44183	1.2
859.47809	3.2
877.48450	100.0
878.48657	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	877.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.2
65.03947	0.3
67.05508	3.1
69.03426	2.2
69.07062	1.6
71.01369	0.4
71.04997	0.8
73.02920	2.2
79.05487	2.8
81.03419	1.2
81.07059	3.0
83.04951	0.3
83.08611	0.7
85.02901	3.5
86.09690	1.1
87.04434	0.4
91.03950	1.9
91.05479	2.6
93.07044	3.5
95.04970	0.7
95.08606	1.8
97.02893	2.9
97.06553	0.6
97.10173	0.8
98.22628	0.6
99.04478	0.3
101.02404	1.0
103.03940	0.5
105.07040	2.2
107.08601	2.0
109.02866	0.5
109.06539	0.4
109.10163	0.4
117.07050	0.6
119.08573	1.4
121.10151	0.8
124.99983	0.6
125.09608	0.4
127.03925	0.9
129.05458	0.3
129.06964	0.3
131.08562	0.5
133.10132	1.2
135.11717	1.2
147.11696	0.6
151.19408	0.3
152.05762	0.3
157.04799	0.4
159.11745	0.6
184.07346	4.0
185.04298	0.9
189.04475	0.3
197.93733	0.3
201.03648	0.3
221.11473	0.5
241.06888	0.4
243.08380	2.5
289.98703	0.3
301.08862	2.1
313.08893	0.4
315.10446	0.9
333.20453	0.9
343.13831	0.3
349.16608	0.5
357.14624	0.3
365.22870	1.9
371.16867	0.3
373.10773	0.6
373.23456	0.4
385.18393	1.3
424.65729	0.3
429.17117	0.6
439.19287	1.6
453.21338	0.4
465.20865	1.4
469.20465	0.7
481.20590	0.7
535.28851	3.9
541.22491	1.0
549.27155	0.4
551.28143	2.8
567.27319	1.5
583.31061	2.4
611.30389	0.7
623.30420	0.8
625.31818	0.4
651.33142	0.4
655.32623	0.4
667.32703	0.3
723.39001	0.7
733.40424	0.7
749.40643	2.8
775.42645	1.3
779.41443	0.5
789.41901	0.3
791.41803	9.1
859.48566	2.0
877.48523	100.0
878.47937	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	879.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.0
67.05509	7.5
69.03437	2.1
69.07084	4.2
71.43241	0.9
73.02932	2.7
79.05513	3.0
81.03445	2.2
81.07051	6.9
83.05016	1.3
83.08623	1.0
85.02892	4.5
86.02392	0.9
86.09694	1.3
91.03976	1.3
91.05505	2.9
93.07043	1.5
94.04069	0.8
95.08616	3.1
97.02908	4.3
97.06577	1.1
99.04485	1.0
101.02388	1.0
105.07072	2.3
107.08611	2.3
109.06561	1.0
109.10130	4.1
117.07085	1.5
119.08590	2.1
127.04016	1.0
133.10117	1.3
147.11758	1.7
159.11742	1.4
173.11885	0.9
184.07352	8.1
184.08672	0.9
229.14380	1.2
243.08646	2.7
298.57361	0.9
333.20557	2.7
349.17136	1.4
351.21439	1.4
439.19788	1.3
519.34180	0.9
551.28345	7.9
569.29083	7.9
879.50702	100.0
880.51068	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	880.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.9
64.95232	0.8
68.99798	1.4
69.03438	24.1
70.83746	1.4
71.01364	1.3
71.05003	4.1
73.02921	4.1
73.56101	0.9
79.01872	1.0
81.03426	46.4
81.73617	0.9
85.02919	20.7
87.04485	2.0
97.02898	18.2
97.80296	0.9
99.03904	1.1
99.04481	11.9
101.21047	0.9
107.04980	1.5
107.62869	0.9
109.02887	56.2
110.03678	2.0
111.04436	1.5
121.02843	1.0
123.00806	1.6
123.04485	1.1
125.02387	2.2
127.03925	32.5
133.02872	3.0
135.04436	2.3
145.04965	4.2
147.04442	2.4
151.04066	1.3
152.01056	2.2
153.01834	10.0
161.02354	3.9
161.05994	1.1
163.03917	9.9
165.01843	1.6
173.02428	1.7
173.04340	1.0
173.05913	0.9
175.03847	2.5
179.03442	4.9
181.01329	0.9
189.01813	9.5
191.03413	17.4
193.01393	2.6
193.05070	1.0
195.02859	1.2
201.01868	3.9
201.05516	2.6
203.03400	2.1
207.02893	12.1
209.57152	1.0
217.01346	38.0
218.02119	2.8
219.02905	26.5
221.00839	4.5
225.05499	1.1
228.52742	1.0
229.01329	3.8
231.02942	3.0
235.02379	54.1
245.00835	40.3
245.93066	0.9
247.02400	21.7
253.07095	2.7
257.00873	3.5
259.02411	2.1
263.01892	20.0
265.03503	3.1
271.08102	1.4
273.00308	29.5
274.01105	2.1
275.01886	17.3
275.34680	0.9
277.03467	3.8
291.01358	22.5
292.46088	0.9
299.05612	1.1
300.99823	12.7
303.01306	1.6
309.02444	2.6
319.00848	38.7
327.04947	2.1
337.01920	95.7
338.02176	1.2
355.03311	1.9
361.01932	1.3
379.03009	11.5
399.03409	1.6
405.70151	1.0
417.04547	1.6
421.04077	2.0
427.03104	2.7
429.04660	10.6
435.05725	5.3
439.05032	2.8
445.03992	14.3
463.05093	55.7
481.06186	100.0
482.06277	2.2
499.07272	5.9
537.05408	1.1
555.07556	1.5
561.39825	1.1
571.06580	2.1
589.08246	7.3
607.09326	13.9
625.10291	16.9
643.11267	9.7
753.14587	1.3
773.61908	1.1
848.87225	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	880.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.2
67.05505	11.3
69.03423	1.0
69.07063	7.0
69.85474	0.7
71.05003	1.4
71.08631	14.0
73.02923	1.0
73.98735	0.6
79.05493	12.6
80.05447	0.8
81.03423	1.6
81.07059	14.6
81.07499	1.1
83.04981	2.8
83.08616	9.3
85.02894	4.6
85.06525	1.0
85.10185	8.6
89.06046	1.2
90.66563	0.7
91.03959	2.3
91.05469	3.5
93.07041	18.7
95.04973	3.8
95.08601	29.4
97.02890	5.3
97.06541	2.1
97.10188	3.5
99.04466	2.7
99.11734	1.1
103.07522	0.7
105.07043	3.6
107.04938	4.4
107.08586	15.2
109.06541	1.4
109.10149	6.1
111.08067	1.0
116.04928	0.8
117.07026	5.0
119.08549	5.7
121.06520	3.6
121.10140	6.1
123.11705	2.0
125.06000	2.0
130.07790	0.9
133.10135	1.7
135.08098	1.2
135.11690	33.3
137.13231	0.8
139.07578	1.1
145.04971	1.7
145.10130	16.8
153.12733	1.2
163.11176	46.2
164.55716	0.8
181.12236	8.8
209.11708	1.0
227.12759	53.8
239.23747	1.2
257.24750	1.8
260.97748	0.9
271.73453	0.8
283.15384	93.5
284.15765	1.2
313.27344	89.0
314.27649	1.3
521.38367	100.0
522.38763	3.4
547.52478	0.9
692.42188	0.8
880.49884	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	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.5
67.05503	15.8
69.03429	2.8
69.06715	0.4
69.07064	6.8
69.28085	0.3
71.01311	0.4
71.04996	2.4
71.08630	17.1
73.02917	3.3
76.79699	0.3
77.03904	0.4
79.05492	11.8
81.03416	36.2
81.07055	21.0
83.04984	8.7
83.08617	19.0
85.02902	24.7
85.06519	1.4
85.10179	10.6
87.04423	0.8
89.05997	1.0
89.20902	0.3
91.03394	0.3
91.03956	7.1
91.05478	16.1
93.07045	9.3
95.04967	15.1
95.08603	18.0
96.04482	0.4
97.02261	0.4
97.02887	7.4
97.06519	2.4
97.09605	0.4
97.10169	5.4
99.04430	0.8
99.08053	1.0
99.11670	0.6
101.02339	0.3
101.05983	0.3
103.07546	1.0
105.03376	0.4
105.04510	0.4
105.07026	12.1
106.44509	0.3
107.04943	3.2
107.08572	4.0
108.55136	0.3
109.02834	0.7
109.06514	2.1
109.09426	0.4
109.10151	7.8
110.42961	0.3
111.04475	1.7
111.08078	6.1
111.11659	0.6
113.05964	1.5
115.03992	0.4
115.05431	0.8
117.06953	0.8
119.04949	0.4
119.07753	0.6
119.08581	10.8
121.06487	1.0
121.10145	5.2
123.08085	1.9
123.11698	3.3
125.09631	1.1
127.03902	2.4
127.07473	0.3
127.36706	0.4
128.06203	0.4
129.06996	6.0
131.07651	0.6
131.08568	7.0
133.06421	1.1
133.10120	6.6
135.11679	0.4
137.09586	1.1
137.13213	1.1
142.07748	1.3
145.04947	2.8
145.10089	1.0
147.08061	2.6
147.11671	11.1
149.09625	3.7
149.13208	0.4
151.14853	0.5
157.10133	9.5
163.06038	2.8
163.11044	0.6
165.12761	1.8
165.16415	0.4
175.11182	11.0
179.37589	0.3
184.07353	0.5
193.12242	29.3
211.13286	41.2
239.23679	1.4
249.14940	0.7
257.24759	1.6
267.15909	16.4
285.16962	61.0
286.17334	0.5
311.03329	0.3
313.27353	63.0
314.27634	1.3
417.01630	0.3
442.97302	0.4
505.38828	13.6
523.39935	100.0
524.40576	2.1
575.53430	0.4
795.19843	0.4
855.45081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.8
67.05504	14.7
69.03425	2.3
69.07068	6.6
71.04985	2.3
71.08630	17.8
71.94729	0.4
73.02920	2.5
79.05497	9.6
81.03416	30.3
81.07056	18.2
83.04521	0.6
83.04979	6.4
83.08618	14.4
85.02906	19.2
85.06497	1.2
85.10182	11.8
85.10935	0.5
86.09682	0.4
87.04443	1.1
89.06015	1.0
91.03460	0.4
91.03960	5.1
91.05479	14.3
93.06539	0.6
93.07043	7.1
95.04968	11.9
95.08607	16.5
97.02367	0.5
97.02895	7.0
97.06493	1.5
97.09612	0.4
97.10174	5.0
99.04408	0.5
99.08093	0.4
99.11720	0.6
103.07507	0.6
105.07033	9.6
105.73021	0.4
107.04963	3.1
107.08595	2.9
109.02837	0.8
109.06487	1.9
109.10148	6.8
111.04403	1.4
111.08073	5.0
113.05975	1.2
115.05402	0.6
117.06975	0.7
119.08584	7.8
121.06497	0.7
121.10139	3.6
123.08073	0.9
123.11719	3.6
125.06046	0.4
125.09602	0.6
127.03909	1.6
129.06213	0.5
129.07008	5.1
131.08565	5.1
133.06439	1.2
133.10124	5.9
135.11583	0.6
137.09615	0.8
137.13226	1.1
142.07716	1.4
145.04958	2.4
147.07977	1.5
147.11688	7.3
149.09622	2.9
157.10132	7.1
163.05992	2.3
163.11119	0.5
165.12718	1.9
175.11185	7.6
184.07344	1.6
193.12241	19.9
211.13290	20.7
239.23634	1.6
249.14867	0.7
257.24786	1.4
267.15903	13.3
285.16953	33.3
313.27362	65.1
314.27872	0.9
331.05066	0.4
403.59070	0.5
428.73935	0.5
445.78693	0.4
505.38843	15.9
523.39941	100.0
524.40308	1.8
667.44189	0.8
882.55811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42408	0.5
67.05518	1.7
69.03433	3.6
69.29089	1.2
69.29497	1.2
71.08642	1.6
73.02919	3.5
78.16682	0.5
79.05502	1.0
81.03416	1.2
81.07069	1.9
83.08626	0.9
85.02904	4.5
91.03939	3.3
93.07061	1.8
95.08601	2.7
97.02894	5.3
97.10250	0.7
99.04474	1.0
101.02390	1.7
105.07099	0.6
107.08617	1.4
109.02921	0.7
109.10194	0.7
119.08566	1.0
123.11655	0.5
127.03925	1.2
135.11705	3.1
145.04980	0.5
145.10179	1.5
150.23387	0.5
158.30923	0.5
163.11195	3.4
181.12282	1.1
184.07365	0.6
185.04227	1.6
227.12810	3.9
243.08479	2.1
249.10994	7.1
305.13684	2.6
313.27576	1.2
314.28271	0.5
347.09549	3.4
363.09094	0.8
365.10748	1.4
383.90851	0.5
405.13730	6.8
453.56311	0.5
467.18884	14.3
497.30716	7.5
561.37933	0.9
629.24292	9.6
659.36084	7.1
660.36938	0.5
723.42682	4.5
885.48090	100.0
886.47931	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	886.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.5
67.05505	43.1
69.03432	6.8
69.07066	11.1
70.10091	1.6
70.10436	2.2
71.01350	2.9
71.04987	5.6
73.02919	9.3
74.11555	0.9
76.36344	0.9
79.05490	37.8
80.06261	2.0
81.03419	31.3
81.07057	27.6
81.63331	1.0
82.04204	7.8
83.01344	1.5
83.04984	18.2
83.08620	15.4
84.02132	2.2
85.02905	17.5
85.06539	3.7
87.04508	1.2
91.03956	8.2
91.05479	27.2
93.07049	22.5
93.07592	0.7
94.04182	1.2
94.07836	1.6
95.04967	26.2
95.08607	13.1
96.05766	2.3
97.02892	14.3
97.06540	10.5
97.10167	24.3
98.07318	9.5
99.04469	2.4
99.08101	2.2
101.06012	1.1
105.04539	1.8
105.07030	14.0
107.04958	9.6
107.08594	19.7
107.09255	1.6
108.05750	1.0
109.02892	1.4
109.06516	5.8
109.10155	17.5
111.04440	3.9
111.08081	6.7
115.05466	1.1
116.04715	19.6
117.07028	7.5
119.08588	13.7
121.06477	5.5
121.10130	7.3
123.04369	1.1
123.08066	8.8
123.11710	1.4
125.06008	1.1
125.09633	30.3
126.10448	1.5
127.03895	3.0
127.07617	1.0
127.11206	1.7
127.23264	1.1
128.06285	1.0
129.05482	44.9
129.06920	6.3
130.07774	1.4
131.08560	11.4
132.09387	1.2
133.06520	1.6
133.10120	10.2
135.08063	5.2
135.11705	8.8
136.08861	1.3
137.09644	5.1
138.29292	1.1
143.07034	11.2
143.10690	2.2
145.04935	3.5
145.06187	0.8
145.10115	8.3
147.08070	2.9
147.11662	9.5
149.09630	4.1
151.11125	1.6
153.09070	2.6
153.12770	3.7
154.09842	1.5
155.08582	1.6
155.10715	2.0
157.08612	19.7
157.10127	6.8
158.05782	2.2
161.03941	1.0
161.09650	1.1
161.54608	1.0
163.06039	2.6
163.11166	15.2
164.11984	1.3
165.12773	2.4
171.06535	2.8
171.10139	6.0
173.09622	3.2
173.11768	5.7
175.11194	4.2
181.12268	3.5
183.06456	1.2
184.07329	1.1
185.11757	2.5
189.11221	14.6
191.10684	4.0
192.11461	1.3
193.12242	10.0
199.13309	14.4
200.14110	4.6
209.11755	11.8
209.13536	1.6
210.12595	2.7
211.13290	4.2
217.14372	4.0
223.13168	1.5
227.12781	20.5
227.15018	1.4
229.14349	7.8
247.13393	1.2
255.15958	2.3
265.14392	1.4
267.15945	13.3
269.17511	1.4
283.15445	15.3
284.16092	1.6
285.16898	1.9
301.16464	100.0
302.16714	1.5
321.16956	1.4
326.24637	1.2
355.17560	2.5
402.37454	0.9
404.76767	1.0
409.25473	1.3
425.25336	2.8
437.25232	1.2
438.26337	1.2
443.26440	4.2
455.26404	18.5
459.27002	4.6
475.26846	2.0
476.27695	1.2
477.28223	8.4
493.27942	5.5
495.29233	1.7
509.27280	6.8
510.28366	4.8
527.28503	78.9
528.28760	2.5
655.18439	1.0
829.20795	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	886.465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.1
65.71745	0.5
67.05159	0.9
67.05511	15.1
69.03440	2.6
69.07076	3.8
69.22639	1.3
69.23048	1.3
71.05000	2.5
73.02933	1.0
79.05498	15.1
81.03423	68.5
81.07062	14.3
83.04988	7.6
83.08626	18.2
85.02908	9.6
85.06582	0.7
91.03963	2.1
91.05484	17.8
93.07047	11.5
95.04974	21.6
95.08611	5.2
97.02912	3.0
97.06530	2.7
97.10184	4.8
98.22776	1.0
98.23432	1.1
99.04464	0.7
99.08099	1.4
105.07043	13.5
107.04958	6.5
107.08606	6.0
109.06530	3.8
109.10171	3.9
110.12850	0.5
111.04460	2.0
111.08084	7.6
113.06010	1.3
115.05460	1.1
117.07031	2.1
119.04938	1.2
119.08582	13.7
121.06510	3.1
121.10159	6.0
123.04463	1.2
123.08066	3.0
123.11684	0.6
125.09634	3.0
127.03937	0.9
127.07515	0.6
129.07004	9.0
131.04962	1.0
131.08574	10.8
133.06506	3.7
133.10127	6.4
135.08069	1.1
135.11658	0.8
137.09613	1.4
141.06964	0.6
142.07777	2.2
143.08562	1.3
145.04883	0.6
145.06488	4.0
145.10136	1.9
147.08058	4.0
147.11691	8.5
149.09627	6.5
153.09108	0.9
157.06514	1.3
157.10146	12.8
159.08011	0.7
159.11749	1.1
161.06007	0.5
161.09628	1.0
163.06013	0.8
163.11200	1.9
165.12762	2.2
167.08589	0.6
169.10233	0.7
171.08028	0.6
171.11652	0.5
173.09573	0.6
175.11188	12.7
181.10112	0.5
185.13257	1.0
189.11330	1.1
189.12772	0.6
193.12259	30.3
195.11717	0.9
197.13301	0.9
205.12178	0.7
211.11320	0.7
211.13286	13.5
213.12755	1.0
223.13220	0.8
227.12607	0.8
227.14584	0.9
229.14287	0.8
230.19135	0.5
231.13876	1.1
233.15526	0.9
237.12744	0.8
237.14893	0.8
249.14847	1.6
255.13828	2.5
259.13412	0.7
267.15924	100.0
268.16278	1.3
273.14917	4.2
285.16989	12.2
301.14197	0.8
309.16922	1.3
323.19775	0.5
339.23141	1.2
341.21024	1.9
346.21103	0.5
349.21490	2.7
357.24249	1.4
367.22736	7.0
385.23727	9.7
403.24863	2.7
405.24295	1.5
415.24817	1.4
433.25916	18.2
441.26462	7.2
459.27441	84.6
460.27737	1.9
477.28503	50.7
478.28973	0.9
491.29770	1.4
501.28415	2.8
509.30786	1.1
519.29645	3.3
543.29456	0.6
573.30988	0.8
585.30640	2.7
603.31586	2.3
621.32190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.1
65.16318	0.9
67.05506	58.1
69.03428	2.4
69.07067	8.2
70.54314	1.0
71.04994	48.3
71.44714	1.3
73.02897	2.6
79.05494	20.4
79.82579	0.9
81.03405	2.7
81.07057	100.0
83.04974	8.0
83.08622	8.7
85.02905	9.4
85.06551	10.6
86.32237	1.0
87.04452	1.1
91.03976	5.9
91.05477	33.4
93.07047	23.3
95.04951	3.6
95.08615	10.5
97.02881	4.0
97.06542	8.0
97.10145	1.7
99.08095	2.0
105.04518	1.1
105.07024	14.9
107.08588	15.9
109.06490	2.1
109.10173	9.5
111.08081	3.4
117.07014	3.9
119.08586	1.3
121.06504	1.4
121.10127	6.6
123.10902	1.7
123.11710	23.9
124.33409	0.9
125.09619	0.9
127.03904	2.1
130.63921	0.8
131.08531	5.7
133.10133	29.3
135.11691	6.0
145.04999	2.2
147.08130	1.0
147.11740	1.0
149.13254	11.5
151.11195	15.0
159.11707	9.3
163.06020	3.2
169.12236	1.8
177.12695	2.9
183.13812	11.8
187.13263	5.9
195.13753	5.8
197.78568	0.9
201.14816	2.2
225.14796	2.8
240.44327	0.9
243.15961	2.1
253.17921	1.2
257.17432	3.9
269.17444	3.9
283.19183	1.4
285.17093	2.0
299.18033	1.1
301.20102	16.3
425.29153	7.0
437.29007	4.9
451.30594	11.9
463.30484	10.5
469.31619	63.1
470.32245	1.4
477.32150	2.7
483.33194	7.7
495.33179	97.9
496.33185	3.4
527.35815	88.2
528.35907	3.6
581.32147	1.5
595.34515	1.2
607.35303	4.8
613.35675	2.1
639.37427	12.3
640.36511	1.0
651.31012	1.1
671.40076	1.9
886.44226	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	887.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.0
68.67885	0.3
69.03435	3.8
69.07060	1.9
71.01358	0.7
71.05000	0.9
71.08638	1.6
73.02924	3.3
79.05501	1.9
81.03425	2.1
81.07060	2.1
83.05029	0.4
83.08643	1.5
85.02910	6.6
85.10184	0.7
86.09708	0.8
87.04485	0.4
87.48881	0.3
91.03949	3.8
91.04416	0.3
91.05499	1.2
93.07066	1.2
95.04981	0.8
95.08601	2.3
97.02895	6.9
97.03484	0.5
97.06567	0.5
97.10183	0.8
98.22697	0.6
99.04470	1.0
101.02391	2.3
105.07053	1.1
107.04891	0.4
107.08598	1.1
109.02920	0.9
109.10162	1.7
115.03959	0.4
117.07051	0.5
119.08649	0.6
123.11787	0.4
124.06203	0.3
125.00014	0.6
127.03923	1.9
131.08600	0.8
133.10127	0.3
134.65755	0.3
141.88457	0.3
145.04982	0.4
145.10210	0.4
147.11797	0.4
155.22073	0.3
157.10210	0.5
163.11409	0.3
184.07359	2.4
185.04305	0.8
185.07745	0.4
188.67030	0.3
193.12247	0.5
203.05266	0.6
210.72392	0.3
218.64024	0.4
243.08382	1.8
251.12685	0.9
273.18533	0.4
273.67053	0.4
291.19632	1.0
292.20078	0.8
294.65674	0.3
311.95883	0.3
313.27502	1.3
347.09500	2.2
363.09387	0.4
365.10620	1.6
365.23370	0.6
366.23911	0.4
405.13635	4.8
442.26935	0.4
469.20346	4.3
497.30823	7.0
520.34314	0.3
543.97937	0.3
631.25732	3.9
659.25061	0.4
659.36127	7.8
725.43817	2.0
780.99603	0.4
887.49707	100.0
888.49622	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	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	3.2
67.05506	100.0
69.03438	7.3
69.07067	25.7
69.09144	12.5
71.04994	7.8
73.02923	3.5
79.05492	52.9
81.03410	20.2
81.07056	70.1
83.04977	14.4
83.08623	16.6
85.02902	16.2
85.06538	5.0
87.04467	3.4
91.05479	42.1
93.07042	45.6
95.04967	17.4
95.08607	25.1
97.02901	4.9
97.06530	12.4
97.10161	10.6
99.04462	2.0
99.08111	2.2
103.04060	2.1
103.05419	2.3
105.04531	3.8
105.07038	26.5
107.04975	8.9
107.08594	29.7
109.06514	6.9
109.10159	51.7
111.04501	1.9
111.08086	8.0
115.81450	2.0
117.07018	13.9
119.08581	22.7
121.06506	2.9
121.10133	14.0
123.08091	4.3
123.11727	3.3
125.09626	11.9
127.03898	3.0
129.05473	4.6
129.07028	4.0
131.08543	14.2
133.10135	16.6
135.08041	4.9
135.11703	13.4
137.09602	3.9
143.08548	3.4
145.10112	13.0
147.07974	3.6
147.11705	10.7
149.09613	8.4
149.13266	13.4
153.12833	2.2
155.08574	2.1
155.10693	4.0
157.10127	4.1
159.11696	13.2
163.11205	9.0
165.12788	3.1
171.11655	3.1
173.04529	2.8
173.11748	12.6
173.13141	3.1
175.11337	2.0
177.12782	5.0
179.14296	2.9
181.12227	4.3
184.40906	2.0
191.10664	2.6
193.12265	3.6
195.13766	8.8
199.13251	6.3
209.11775	4.6
210.12297	2.0
213.14774	2.3
227.12776	7.7
229.14334	39.9
229.19444	2.5
253.14276	2.7
255.15965	7.6
257.19049	4.2
267.15988	6.2
269.17447	30.1
275.20010	17.8
279.90530	1.7
283.15491	4.6
301.16516	10.1
335.25708	5.8
349.23782	14.8
367.24857	3.2
399.23944	19.5
409.25949	10.1
413.21405	2.0
423.27414	29.1
447.27399	1.9
460.32297	2.1
460.76639	1.8
477.28467	2.4
495.29333	7.2
499.63132	2.0
503.33469	6.5
529.38855	5.1
579.34979	6.2
592.12170	1.9
593.36737	33.4
607.90692	2.1
673.42822	5.4
691.43250	3.5
752.36011	2.1
888.48969	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	888.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36488	1.3
65.03949	4.1
67.05506	100.0
69.03426	8.7
69.07072	27.9
70.02881	1.7
71.04992	7.0
71.08605	1.8
73.02926	3.2
73.89153	1.6
79.05495	51.2
81.03426	20.2
81.07059	65.0
83.04992	13.4
83.08624	18.2
85.02912	15.6
87.04473	2.7
91.05483	41.6
93.07047	47.6
95.04969	12.4
95.08611	29.0
97.02886	6.2
97.06520	13.2
97.10176	16.7
99.08088	2.6
103.03970	1.7
105.04539	3.0
105.07030	30.7
107.04968	9.5
107.08599	29.8
109.02909	2.1
109.06529	9.4
109.10161	52.7
111.04441	2.6
111.08085	6.7
117.07018	12.8
119.08604	21.6
121.06504	4.5
121.10142	14.2
123.08063	4.5
123.11694	4.9
125.09637	16.3
127.03925	3.7
129.05498	4.0
129.07007	6.8
130.07718	2.4
131.08571	13.7
133.10123	18.1
135.08043	5.7
135.11694	12.2
137.09659	4.3
141.06995	1.6
143.08534	3.4
143.10664	2.0
145.06462	2.1
145.10132	12.3
147.08121	1.9
147.11681	11.0
149.09605	9.9
149.13301	9.6
151.11269	1.9
153.12804	2.2
155.08562	2.5
155.10652	3.3
157.10141	3.1
159.11649	10.5
161.13258	3.5
163.11223	12.2
171.10208	2.3
171.11638	2.6
173.09587	3.0
173.11763	11.7
173.13193	3.5
175.11194	3.2
177.12762	4.4
179.14349	2.2
181.12253	3.2
183.11688	2.3
189.11234	2.5
191.10625	2.8
193.12251	2.0
195.13799	5.3
199.13286	4.0
209.11708	4.0
227.12808	16.1
229.14366	41.2
239.18130	2.0
247.20857	1.8
255.15840	9.6
257.19049	6.2
267.15912	6.3
269.17526	22.7
275.20068	29.5
283.15369	3.4
293.21024	3.5
301.16464	8.9
335.25879	3.2
349.23752	23.0
367.24780	3.1
399.18295	2.1
399.23618	15.8
409.25870	8.9
413.21564	2.3
423.27472	17.9
495.29370	4.1
503.33554	11.7
521.34845	2.1
529.38708	4.0
575.36029	2.7
579.35114	3.5
593.36859	22.0
673.42737	7.2
691.44043	2.3
741.48102	2.1
888.47601	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	888.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	7.6
67.05504	100.0
69.03434	9.4
69.07069	75.5
71.01345	1.9
71.04983	7.6
73.02898	2.4
74.05979	1.2
77.03960	1.7
79.05491	55.7
79.05951	2.7
81.03414	15.4
81.07054	72.8
83.04976	11.4
83.08627	15.8
85.02905	8.5
85.06528	5.7
91.05479	64.5
93.07044	60.5
95.01329	1.1
95.04961	21.6
95.08603	50.8
97.02899	9.4
97.06528	20.9
97.10169	14.5
97.89786	1.2
98.23510	2.6
99.04443	1.3
99.08076	2.6
103.05457	3.0
105.04517	5.0
105.07029	48.3
107.04942	12.1
107.08594	34.2
109.02879	2.5
109.06522	7.7
109.10151	43.9
111.04456	1.5
111.08055	6.8
113.09642	3.0
115.05446	3.5
116.04738	1.4
117.07024	20.2
119.08575	40.2
121.06500	5.4
121.10142	17.9
123.08074	6.6
123.11678	3.9
125.09632	11.9
127.03921	3.7
128.06209	2.8
129.05502	6.2
129.06973	7.7
130.07780	1.9
131.08568	24.9
133.06459	2.8
133.10132	27.8
133.11133	1.6
135.08064	6.3
135.11694	12.6
137.09613	16.5
139.11140	1.7
141.06979	3.2
143.07010	1.4
143.08527	8.8
145.06465	1.5
145.10117	18.4
147.08040	4.0
147.11674	14.1
149.09621	26.3
149.13257	4.9
151.11162	3.3
155.08533	3.5
155.10646	2.6
157.08739	2.3
157.10126	8.7
159.08043	2.2
159.11684	17.4
161.09581	2.5
161.13284	9.3
163.11176	13.3
165.09114	2.7
165.12782	1.5
169.10117	5.0
171.10130	3.5
171.11708	7.8
173.04404	1.9
173.09474	1.3
173.11731	11.0
173.13254	6.9
175.11186	4.1
177.12794	5.6
179.14256	6.1
183.11700	4.5
185.13251	3.1
187.11150	3.2
187.14822	2.6
189.11179	4.8
189.12727	2.5
191.14293	1.5
195.13785	2.1
197.13266	4.0
199.13322	3.4
201.12874	1.5
205.12280	1.5
209.13316	1.6
215.17969	1.2
223.13303	3.6
227.12752	6.2
229.14337	14.6
229.19556	2.8
239.17924	3.4
241.19551	1.5
243.15919	2.1
247.20534	3.7
253.17924	3.4
257.19113	7.8
259.20581	1.9
261.15073	1.2
269.17499	3.4
273.18384	3.1
275.20056	36.3
291.19519	9.6
293.21036	4.8
313.21609	1.2
331.22638	1.4
333.24146	2.4
349.23734	38.7
365.23013	2.5
383.24265	4.5
399.23578	1.4
407.28000	2.9
423.27383	3.6
445.29446	4.6
451.50897	1.1
453.33221	1.5
458.08038	1.4
503.33542	7.0
527.37634	7.6
529.34814	1.3
543.36578	3.2
593.36743	1.6
623.43243	11.4
641.44012	2.8
888.52350	1.5
908.02686	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	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.8
65.67568	0.6
67.05505	60.6
69.03426	2.7
69.06705	1.1
69.07065	17.3
69.50439	1.7
71.05000	3.7
73.02915	4.7
77.03893	1.1
79.05491	41.1
81.03403	4.1
81.07056	70.6
83.04974	5.1
83.08621	13.6
85.02901	15.4
85.06544	2.6
88.58334	0.6
91.03954	7.3
91.05477	25.6
93.07042	54.7
95.04964	7.3
95.08603	33.1
96.04509	0.8
97.02897	7.9
97.06523	6.9
97.10165	3.7
99.04471	1.1
99.08084	2.0
99.74336	0.6
105.04522	2.1
105.07023	11.9
105.07722	0.7
107.05006	1.1
107.08594	30.2
109.02885	0.9
109.06514	2.1
109.10149	13.3
111.08066	5.0
115.03951	0.8
115.05458	0.8
117.07012	10.5
119.08567	8.7
121.06477	1.4
121.10149	17.1
123.08089	1.5
123.11726	6.2
125.09637	1.2
127.03880	2.8
129.06987	1.4
131.08565	11.4
133.10130	15.3
133.11130	0.9
134.88593	0.6
135.08037	1.5
135.11688	12.8
137.09560	0.7
137.13255	1.3
139.11185	0.6
143.08563	0.7
145.04964	4.2
145.10118	5.6
147.08018	0.7
147.11703	4.6
149.09613	1.6
149.13260	14.7
151.11250	1.7
151.98906	0.7
157.10216	1.0
159.11705	9.0
161.13252	2.7
163.06010	3.6
163.11182	0.8
163.14806	1.4
171.11719	2.0
173.11818	1.3
173.13297	4.3
175.11093	0.7
175.14818	1.5
177.12769	2.7
187.14803	2.1
195.13785	8.8
197.13342	0.8
201.16365	1.2
213.14857	1.6
217.73213	0.6
229.14365	2.7
243.21059	2.6
253.18080	0.7
253.77142	0.6
259.20645	1.4
261.22128	9.1
267.16037	1.7
269.17468	66.1
270.18021	0.7
275.20227	0.7
291.19653	2.6
291.69485	0.7
293.21136	0.9
299.23819	0.8
317.24829	2.0
321.60217	0.6
333.24255	0.7
335.25778	60.1
336.26117	0.9
339.24484	0.6
349.24045	0.6
365.23035	0.6
419.33548	0.8
430.46219	0.7
437.34241	3.0
455.35455	2.1
469.20587	0.9
511.37772	3.7
529.38867	100.0
530.39362	2.4
547.39905	4.1
606.73438	0.8
673.42816	1.6
691.44635	0.7
888.50043	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	888.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.5
67.05506	51.7
67.06030	1.5
69.03396	2.2
69.07072	15.1
70.51539	0.4
71.01324	0.7
71.04998	3.4
71.08617	0.6
73.02917	3.5
77.03916	0.9
79.05494	31.3
81.03394	1.6
81.07059	60.9
83.04985	4.5
83.08135	0.7
83.08624	10.9
83.09115	0.5
85.02911	9.2
85.06516	2.2
85.10143	0.6
90.49803	0.5
91.03964	5.4
91.05481	16.5
93.07047	50.4
95.04979	5.2
95.08608	28.6
97.02896	5.5
97.06528	8.2
97.10140	1.3
99.04424	0.5
99.08098	2.6
102.98944	0.5
105.04482	1.4
105.07033	10.0
105.30907	0.6
107.04923	0.6
107.08598	27.9
109.06485	2.1
109.10160	11.4
111.08084	4.3
113.09621	1.1
117.07021	7.0
119.08578	7.7
121.06494	0.8
121.10149	20.2
123.08071	1.1
123.11687	3.4
125.09579	0.9
127.03904	2.6
130.85724	0.5
131.08563	10.0
133.10138	8.4
135.08029	0.8
135.11700	9.6
137.13306	0.6
139.11171	1.1
142.07405	0.5
145.04936	1.8
145.10159	4.0
147.11687	3.6
149.09624	1.1
149.13263	22.6
151.11189	0.8
157.10112	0.9
159.11691	10.5
161.13211	2.0
163.06007	2.2
163.14874	1.1
165.12694	0.8
173.13231	2.5
175.14906	1.2
177.12775	4.1
177.16293	0.9
179.20448	0.5
187.14819	1.3
195.12123	0.7
195.13806	7.3
201.16304	0.6
213.14821	1.2
229.14334	0.7
243.21048	2.5
261.22128	8.2
267.15927	2.7
269.17480	90.0
270.17767	0.9
283.91971	0.5
317.24738	2.2
333.24219	0.9
335.25812	48.3
336.26501	0.5
405.14246	0.6
437.34088	2.0
455.35306	1.4
473.36517	0.7
511.37576	1.4
529.38904	100.0
530.39484	2.8
547.39917	3.1
632.26141	0.9
888.49774	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	888.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.6
67.05503	97.9
67.05869	5.1
69.03424	12.9
69.07069	47.2
71.01366	5.1
71.04994	17.6
77.03941	2.2
79.05489	66.5
81.03420	18.0
81.07055	100.0
83.04986	13.2
83.08625	18.4
85.02914	6.9
85.06551	8.8
91.05476	61.3
93.07042	74.1
93.07606	4.8
95.04964	20.8
95.08602	51.7
97.02882	5.6
97.06524	30.4
97.10153	14.5
99.08097	6.8
105.04512	3.6
105.07028	50.0
105.07729	2.7
107.04980	12.6
107.08593	44.9
107.09270	4.3
109.06534	14.9
109.10161	33.9
111.08093	10.4
115.07561	5.3
117.07009	23.8
119.08587	38.0
121.06513	6.1
121.10158	26.4
123.08083	8.4
123.11669	3.4
125.09568	12.6
127.03914	3.0
128.06229	2.9
129.05530	4.3
129.07010	12.0
131.08583	29.0
133.06470	3.9
133.10138	33.0
135.08076	7.8
135.11699	20.1
137.09627	6.7
141.06985	4.6
143.08565	10.0
145.10114	29.0
147.08058	5.3
147.11699	15.9
149.09634	18.5
149.13271	15.5
151.11214	8.3
155.08537	6.3
157.10155	10.2
159.08034	3.4
159.11711	16.7
161.09601	4.7
161.13280	6.7
163.11182	12.1
165.12733	3.6
169.10176	11.1
171.11763	8.1
173.04439	6.2
173.09581	3.6
173.11865	4.4
173.13307	8.8
177.12773	8.9
179.10713	2.8
179.14256	3.6
181.10117	2.9
183.11771	7.3
185.13318	3.2
189.11256	4.2
189.12918	2.6
189.16463	3.0
195.11816	4.0
195.13847	6.8
197.13249	3.4
199.14952	3.6
209.13286	2.8
209.15364	2.8
226.62338	2.5
227.12750	7.9
229.14359	8.7
239.17867	5.4
251.16417	3.7
255.15968	7.7
257.19067	11.1
267.15845	5.3
269.17435	25.3
273.18512	6.4
275.20056	39.5
331.22607	3.7
333.24152	3.4
349.23767	35.3
365.23349	4.4
409.26019	3.9
423.27484	17.2
431.28351	3.9
445.29379	9.3
449.28754	15.0
463.30493	26.4
503.33664	9.2
515.37469	3.2
519.33521	4.1
525.35651	16.8
529.35150	7.8
543.36859	75.4
557.38550	2.8
561.38098	12.2
575.39075	7.7
593.33075	4.7
607.34601	11.3
623.43195	13.6
641.43530	6.4
655.45764	3.6
687.40240	6.0
705.41553	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	890.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.1
67.05511	100.0
69.03438	5.9
69.06703	4.2
69.07075	50.2
69.69351	7.1
71.04996	7.9
79.05502	53.3
81.03415	11.4
81.07063	78.1
83.04986	11.1
83.08625	19.5
85.02917	4.5
85.06559	8.0
85.33913	1.8
91.05487	55.2
93.07055	55.8
95.04975	19.6
95.08609	48.2
97.02904	6.1
97.06536	23.8
97.10201	11.7
98.22662	4.0
98.23273	3.7
99.04430	2.9
99.08077	2.7
105.07043	41.9
107.04969	15.8
107.08602	39.3
109.06511	8.6
109.10164	45.5
111.08102	8.2
111.15530	1.9
115.05459	2.2
117.07043	18.3
118.29876	1.9
119.08600	37.6
121.06512	4.9
121.10144	21.0
123.08059	6.4
123.11705	4.2
125.09621	9.4
127.03951	2.3
128.06303	2.2
129.07036	7.6
131.08575	22.6
133.10130	26.6
135.08087	7.5
135.11682	11.7
137.09616	12.6
141.06949	3.5
143.08562	6.4
145.10138	19.8
147.08089	2.8
147.11688	18.0
149.09627	24.1
149.13266	12.3
151.11209	6.1
155.10690	2.8
157.10156	7.6
159.08107	2.7
159.11678	18.4
161.09641	3.4
161.13286	7.3
163.11189	9.3
165.09035	2.9
165.12822	2.7
169.10167	4.5
171.10315	2.2
171.11748	6.0
173.11774	15.2
173.13292	8.4
175.11203	5.8
177.12794	6.9
179.10782	2.1
179.14348	3.4
183.11800	3.5
185.13319	2.9
187.11177	3.3
189.11238	9.1
195.11987	2.3
195.13861	9.2
197.13326	2.2
199.13242	2.4
227.12709	10.2
229.14355	29.2
229.19513	2.8
239.18001	2.8
243.15787	2.6
247.20657	4.2
257.18973	11.2
267.15939	6.0
269.17484	20.1
273.18307	3.9
275.20087	51.6
291.19601	5.5
293.21228	7.3
341.70935	2.1
349.23785	45.2
365.23291	4.5
367.24765	8.0
374.41397	2.1
383.24332	12.5
399.23822	2.0
409.25967	2.6
423.27557	17.1
444.35352	2.3
463.30722	3.4
503.33630	18.8
521.34882	5.6
543.36816	23.0
557.34308	2.3
559.35724	2.5
561.37756	4.1
623.43213	10.1
639.42102	2.8
641.43848	6.9
875.77094	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	891.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	1.6
67.57568	0.3
69.03431	3.5
69.07065	0.5
71.01401	0.4
71.05017	1.1
73.02926	2.7
73.03304	0.4
79.05491	1.6
81.03416	3.4
81.07048	1.6
83.05008	0.9
83.08646	1.0
85.02912	5.4
85.06535	0.3
87.04485	0.5
91.03947	3.1
91.05489	2.5
93.07041	1.8
95.04997	1.1
95.08636	0.8
97.02898	4.8
99.23248	0.3
101.02370	1.9
103.04004	0.5
105.07028	1.3
107.05000	0.6
107.08632	0.9
109.02882	0.9
111.08109	0.6
115.03966	0.5
119.08591	1.6
121.10142	1.7
122.27135	0.3
123.08136	0.3
127.03914	1.6
129.07074	0.6
131.08629	1.0
133.10181	1.1
145.05000	0.4
147.11763	1.2
148.94278	0.3
149.09647	1.2
157.10130	1.3
165.12914	0.5
175.11224	1.0
185.04240	0.7
185.28198	0.3
193.12299	2.3
203.05363	0.8
211.13382	0.6
225.14925	0.3
231.68774	0.3
243.08394	1.7
251.12773	0.8
259.08041	0.3
267.16061	0.9
269.12274	0.5
283.15179	2.3
305.08652	0.5
307.15479	0.6
339.17978	0.9
347.09552	2.6
363.09390	0.6
365.10703	1.1
405.13644	5.5
427.05902	0.3
469.20459	8.2
501.23044	7.9
567.31110	0.3
631.25708	7.6
663.28339	7.5
729.36523	3.4
891.41943	100.0
892.42194	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	893.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09514	0.7
64.36028	0.7
67.05508	3.8
69.03435	2.5
69.07069	1.5
71.04995	1.2
73.02920	1.9
77.65618	0.7
79.05499	2.5
81.03454	1.1
81.07052	2.7
81.30676	0.7
83.08636	1.0
85.02930	3.3
85.26589	0.8
91.03968	1.8
91.05510	1.9
93.07066	2.4
95.04946	0.8
95.08614	1.3
97.02927	2.4
101.02333	0.9
105.07079	1.0
109.02837	1.1
109.10199	1.5
117.07035	1.2
119.08584	0.8
121.10126	1.5
127.03931	1.0
152.79054	0.7
153.31905	0.7
190.77010	0.8
243.08449	1.6
261.31958	0.8
301.09030	3.5
315.10678	0.8
319.60629	1.0
349.16876	1.0
369.15234	1.0
385.18292	2.2
401.16022	1.3
413.17654	1.3
439.19061	1.2
445.14810	0.9
448.58517	0.9
465.21225	2.5
481.20273	1.0
485.17529	1.0
493.21964	1.3
516.19659	1.2
525.23248	2.8
535.28979	1.7
551.28436	2.1
557.20050	3.9
567.25769	1.3
575.58502	0.9
583.30756	2.2
585.25018	0.9
599.30005	0.8
609.32404	1.1
611.30658	0.9
626.27277	1.3
641.29449	1.3
695.40051	1.3
707.39703	1.0
723.38971	7.7
765.38593	4.8
775.42621	1.1
777.42578	0.8
807.39496	31.5
808.38477	1.2
875.48401	3.9
893.47449	100.0
894.46936	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	893.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.5
69.03430	3.2
69.07084	1.1
69.56031	1.1
71.01373	0.7
71.05007	0.4
73.02927	3.8
77.83345	0.3
79.05497	1.7
81.03429	1.9
81.07062	3.5
81.07427	0.3
83.08645	0.7
85.02917	5.5
85.03405	0.3
85.14729	0.3
87.04517	0.4
91.03957	3.4
91.05482	1.4
93.07047	2.5
95.04980	0.6
95.08620	1.7
96.62744	0.3
97.02903	5.5
97.10200	0.3
99.04459	0.7
101.02390	2.0
105.07056	0.6
107.08643	1.2
109.02911	1.0
109.10197	1.0
115.03966	0.6
116.91160	0.3
117.07079	0.5
119.08627	0.6
121.10206	0.9
123.11719	0.3
127.03899	1.5
131.08656	0.5
133.10181	0.8
135.11740	0.6
144.73056	0.3
146.43069	0.3
149.13335	0.9
159.11771	0.7
161.13463	0.4
168.16605	0.3
170.48163	0.3
185.04311	1.3
195.13849	0.7
203.05391	0.6
235.13173	0.4
243.08409	2.4
269.17700	0.5
300.62555	0.3
347.09412	2.7
363.09433	0.4
365.10825	1.0
405.13690	5.8
413.17975	1.1
453.20993	7.5
465.21500	0.6
519.29266	4.7
607.30914	0.5
615.26294	7.3
637.32202	1.2
681.34558	3.9
709.34180	1.0
721.37268	2.4
723.38214	0.9
731.43091	2.1
749.41302	1.0
893.48700	100.0
894.48761	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	893.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31507	0.2
67.05499	2.5
69.03420	2.8
69.07068	0.8
71.01346	0.3
71.04993	0.5
73.02917	3.0
79.05499	1.6
81.03419	1.4
81.07056	2.8
83.08624	0.4
85.02894	4.3
87.04499	0.3
90.56030	0.2
91.03955	2.9
91.05489	1.0
93.07043	3.0
95.04999	0.3
95.08598	1.5
97.02888	4.6
97.06557	0.4
99.04495	0.5
101.02378	1.5
103.03961	0.2
105.07035	0.6
107.08595	1.6
109.02911	0.7
109.10181	0.6
111.08087	0.3
115.03939	0.3
117.07059	0.5
119.08646	0.3
121.10166	1.0
127.03901	1.4
131.08595	0.4
135.11734	0.4
135.97810	0.3
143.39662	0.3
149.13263	1.8
159.11679	0.4
177.12766	0.3
185.04314	0.8
202.26526	0.2
203.05266	0.6
206.88400	0.3
231.14122	0.2
235.13164	1.0
236.28908	0.3
243.08353	1.6
243.13884	0.3
264.00674	0.2
291.15643	0.4
335.26019	0.3
347.09451	2.2
363.09268	0.4
365.10681	1.0
405.13748	3.8
453.20908	7.0
453.26828	0.4
519.29303	4.2
615.26147	5.6
637.32397	0.4
681.34393	3.6
721.38184	0.3
722.38495	0.3
723.37341	3.6
731.43195	1.5
774.57782	0.3
893.48608	100.0
894.48901	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	893.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09252	0.6
67.05361	6.3
67.05759	2.2
69.03282	2.9
69.03699	1.4
69.06957	1.6
69.07275	0.7
71.04891	0.7
73.02766	2.5
79.05330	3.3
79.05826	1.3
81.03265	2.4
81.06894	4.3
81.07433	1.3
83.08507	0.9
85.02740	4.8
85.03298	0.9
91.03785	2.3
91.04309	1.1
91.05319	2.7
93.06874	2.5
95.04829	0.7
95.08436	2.2
96.65733	0.7
97.02720	4.6
98.22709	2.0
99.04330	0.8
101.02194	2.1
101.02821	0.7
105.06860	1.6
107.08444	1.6
107.09101	0.9
109.02682	1.0
109.09969	6.3
109.10788	1.4
119.08379	2.0
121.10024	0.9
127.03758	1.3
131.08441	0.9
135.11549	1.4
137.09436	0.8
144.02631	0.6
147.11598	0.8
173.11523	2.5
173.12836	0.7
185.04086	1.1
195.32503	0.7
217.40878	0.8
229.04303	0.6
243.08488	3.3
248.24371	0.6
301.08945	3.1
301.12836	0.6
333.20129	2.3
373.11053	1.3
385.18216	1.9
389.22702	1.1
413.17828	13.8
429.17258	1.1
439.19189	1.4
453.20630	2.2
469.20206	0.8
477.24255	0.9
536.59576	0.7
541.22736	5.9
551.28284	9.0
561.34167	1.1
610.29492	1.1
611.31024	1.0
623.30212	2.2
625.31775	2.8
655.32196	0.9
723.39197	100.0
724.39606	3.2
749.39874	1.0
751.42395	4.5
779.41309	4.7
807.39148	4.3
893.48651	29.1
894.48706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05380	5.2
67.05766	1.4
69.03298	2.6
69.03703	1.2
69.06941	2.0
69.10719	2.7
71.04916	0.8
73.02788	2.7
79.05358	2.3
79.05792	0.9
79.80359	0.5
81.03288	2.0
81.06924	3.9
83.08523	0.7
84.94433	0.5
85.02759	3.7
91.03810	3.1
91.05327	2.6
93.06892	2.2
93.73578	0.6
95.04858	1.1
95.08455	2.0
97.02735	3.7
97.10056	1.0
99.04341	0.8
101.02252	1.3
105.06864	1.7
107.04845	0.5
107.08431	1.7
109.02771	0.9
109.09995	6.9
109.10806	1.3
111.07975	1.0
115.03822	0.6
117.06902	0.9
119.08411	1.4
121.10023	1.1
127.03769	1.3
131.08453	0.9
133.09999	0.7
135.11623	0.7
145.09886	0.5
147.11565	0.6
155.10542	0.6
159.80600	0.5
163.11086	0.5
173.11525	2.4
185.04083	1.4
203.05078	0.9
229.14265	1.3
243.08470	3.2
244.45695	0.6
251.12451	0.8
301.08923	2.6
315.10339	0.7
333.20422	4.1
371.16858	0.7
373.10980	1.0
385.18079	1.7
413.17831	13.0
429.17050	1.1
439.19485	1.0
441.21262	0.8
453.20923	1.3
469.20377	1.7
477.24469	1.5
481.20233	0.7
500.21985	1.1
541.22711	5.3
551.28302	10.9
561.33728	1.8
583.28412	0.8
610.29718	1.1
623.30499	2.2
625.31653	2.3
637.30298	0.6
723.39215	100.0
724.39539	3.6
749.40039	1.0
751.42786	3.5
779.42371	3.5
807.40668	0.7
893.48669	27.9
894.48407	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	893.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	4.4
69.03427	2.4
69.07063	2.3
70.12306	0.6
71.05022	1.9
73.02911	2.7
79.05502	3.5
81.03445	1.5
81.07062	5.1
83.08630	1.4
85.02905	3.7
86.41783	0.6
91.03952	2.8
91.05475	2.5
93.07054	2.8
95.04967	0.8
95.08646	1.6
97.02883	3.4
97.06564	0.9
97.10221	0.9
98.23533	0.8
101.02427	2.0
105.07076	1.8
107.08631	1.6
109.06538	0.8
109.10196	1.9
117.07130	0.6
119.08611	1.1
121.10185	1.0
125.09650	1.2
127.03950	1.0
129.07130	0.5
131.08591	0.7
133.10201	0.9
135.11742	1.3
145.10205	1.0
184.07446	0.7
184.29198	0.5
185.04301	0.5
192.42612	0.5
193.68576	0.5
243.08469	2.5
301.08920	0.5
331.18829	0.8
333.20428	2.3
365.23181	1.9
421.25757	0.9
428.09943	0.5
439.19495	2.6
448.61331	0.5
453.21036	1.3
481.20663	0.6
485.24207	0.7
538.16876	0.6
551.28235	7.2
567.28174	0.9
583.30768	5.6
735.38708	0.6
749.41113	1.5
765.40656	1.9
795.45416	0.7
807.41565	1.7
847.44586	0.7
875.47449	1.4
893.52087	100.0
894.51904	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	894.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.3
69.49166	2.1
71.04993	58.1
73.02911	2.7
75.04479	4.0
79.01849	3.3
81.03409	1.5
83.04981	9.1
85.02902	97.7
87.04461	2.6
91.03954	0.8
97.02883	4.9
99.04457	2.3
101.06020	0.9
103.03947	1.5
107.01322	0.6
109.02863	1.5
111.04432	6.1
125.02345	1.5
127.03931	5.5
129.05479	42.2
133.02879	1.4
143.03394	5.1
145.04945	6.1
146.08064	1.1
147.06523	24.1
150.03102	0.9
151.03876	0.8
153.01826	100.0
153.02872	4.0
159.04404	1.0
163.06038	3.0
164.09192	11.1
165.07593	1.8
166.02559	0.5
171.06459	0.7
175.03914	1.2
177.01826	2.8
177.05411	0.6
179.03438	0.8
181.04964	8.2
187.03886	1.1
191.03397	2.1
193.04912	1.3
194.02132	0.8
195.02917	1.6
197.04428	0.9
199.03897	1.2
204.04282	0.8
205.04945	2.8
207.02872	0.5
209.04443	11.3
213.03943	4.1
215.03337	1.2
216.04196	0.8
219.02814	0.7
219.06569	1.6
221.04437	2.1
221.06552	0.4
225.07571	0.9
229.05014	1.0
232.03683	0.6
233.04439	2.9
235.15402	0.8
237.07629	2.0
247.06001	2.8
251.05464	3.2
251.14894	2.8
255.04999	2.4
255.08609	3.9
257.04291	0.6
260.03119	1.7
263.05569	2.8
268.17554	1.0
273.09631	6.1
275.05511	9.6
281.06647	0.6
293.06546	10.3
309.11798	15.0
311.07684	2.5
336.39615	0.5
379.22308	0.5
388.81097	0.5
397.20578	0.7
414.23337	0.8
445.07724	1.0
453.00858	1.1
463.08463	0.6
481.09772	24.9
578.64825	0.7
783.50708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.2
71.46673	0.1
79.01849	4.9
81.03406	0.4
83.04971	0.1
97.02903	0.8
102.79783	0.1
104.73005	0.1
107.01314	1.1
109.02864	0.9
113.27707	0.1
120.24772	0.1
123.00777	0.1
125.02345	2.8
127.03910	2.4
131.04892	0.2
143.03391	5.9
147.36467	0.1
153.01819	100.0
153.02867	5.1
154.02161	0.6
159.04387	0.4
163.03906	0.1
171.04352	0.1
172.04271	0.1
175.55624	0.1
177.05482	0.2
181.01321	0.2
187.03900	0.1
189.05499	0.1
191.03282	0.1
205.04900	0.6
215.03371	0.2
217.04887	0.4
233.04442	1.7
243.02867	0.3
260.85349	0.1
261.03955	2.6
279.04968	4.1
297.05981	0.1
305.02899	2.8
407.92410	0.1
431.06012	0.5
449.07132	0.4
467.09546	0.1
529.74121	0.1
771.10333	2.8
772.11212	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	898.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	17.7
68.62394	0.8
69.03430	4.8
69.07066	6.8
71.04975	0.9
71.08633	15.7
71.43512	0.8
73.02915	5.2
79.05497	10.3
81.03412	6.1
81.07053	16.5
82.04186	2.8
83.04983	7.8
83.08611	9.2
85.02901	11.4
85.06531	1.0
85.10184	11.0
89.99336	0.8
91.03942	6.0
91.05479	6.5
93.07042	6.3
95.04977	6.8
95.08610	12.8
97.02890	7.2
97.06510	3.2
97.10155	8.5
98.07304	3.3
105.07023	4.5
107.04953	2.7
107.08582	5.4
109.02850	1.2
109.06529	2.3
109.10139	8.9
111.08066	2.0
116.04692	10.0
117.07013	2.0
119.08577	3.7
121.10133	1.9
123.08054	2.2
123.11693	2.3
125.09636	7.3
125.50990	0.8
126.10329	1.0
127.03917	1.9
129.05473	24.1
129.07007	2.1
131.08559	1.6
133.10106	3.4
135.08041	1.3
135.11693	1.5
137.13338	1.1
143.07042	6.2
145.04962	2.9
145.10097	1.5
147.11670	2.7
153.12766	0.9
157.08598	11.1
157.10089	2.6
163.05991	4.2
163.11150	1.9
165.12805	1.1
171.06509	2.0
171.10173	4.7
175.11139	0.9
181.12311	1.0
184.07350	1.1
185.11801	1.0
189.11227	6.1
193.12190	2.3
199.13315	2.7
200.14020	2.2
209.11745	2.0
210.12459	1.2
211.13374	1.4
212.74731	0.9
213.11113	0.9
213.14645	0.8
227.12749	9.6
229.14471	1.1
239.23711	3.2
255.15913	1.5
257.24597	1.9
267.15820	6.0
283.15308	4.6
297.20303	0.9
301.16446	100.0
302.16879	1.2
313.27344	69.2
367.28403	3.1
377.01035	0.9
381.71039	1.0
395.31512	1.2
426.82660	0.9
438.37030	1.2
467.37534	1.1
505.38736	5.0
521.38293	3.3
522.38843	1.4
539.39410	75.1
540.39557	2.3
799.17987	1.0
898.47247	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	898.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86472	1.4
67.05509	36.8
69.03440	1.7
69.07068	8.8
71.04995	18.6
71.08270	2.0
71.08633	21.2
73.02914	2.9
73.57740	1.3
79.05483	6.0
81.07059	69.7
83.04975	3.1
83.08625	12.9
85.02930	10.2
85.06535	5.6
85.10187	11.3
85.85142	1.2
91.03954	6.2
91.05472	11.4
93.07055	9.8
95.04934	1.6
95.08610	22.1
97.02888	4.0
97.06487	2.4
97.10179	6.5
97.79000	1.3
98.23470	4.2
99.11717	2.0
100.73722	1.3
105.07032	6.4
107.08578	4.8
109.10164	14.9
111.08092	1.6
121.10131	4.3
123.11700	16.1
127.03920	1.9
133.10161	13.4
135.11687	2.8
137.13200	2.3
145.04919	2.7
149.13225	2.2
151.11186	9.8
159.11687	2.8
163.06047	2.7
169.12244	2.1
177.12572	1.7
183.13791	2.8
187.13252	5.2
239.23729	2.1
257.17657	1.6
264.87662	1.4
269.17419	3.0
301.20132	10.2
313.27438	14.8
331.47308	1.7
431.80173	1.4
481.38846	65.5
482.39102	2.8
507.40475	7.4
520.10907	1.5
520.77094	1.5
539.43091	100.0
540.43140	1.9
554.19214	1.5
683.45905	2.2
722.12103	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	900.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.2
67.05511	24.2
69.03441	6.3
69.07064	9.0
71.01369	3.5
71.04985	5.2
79.05504	28.4
81.03424	59.6
81.07059	25.0
83.05000	6.4
83.08625	18.1
85.02911	5.9
88.71901	2.2
91.05483	31.6
93.07062	18.1
95.01335	8.7
95.04983	27.7
95.08621	14.3
97.02917	6.0
97.06540	6.3
97.10179	9.8
98.22804	10.5
98.23508	4.3
105.07043	18.4
107.04962	15.3
107.08602	9.8
109.02891	4.8
109.06509	8.1
109.10157	11.3
111.08102	7.3
117.07024	9.8
119.08592	18.5
121.06520	9.6
121.10152	6.8
123.04456	4.4
123.08071	5.2
125.09670	9.8
129.05510	3.0
129.06995	10.7
131.04929	5.5
131.08560	15.8
133.06493	6.4
133.10146	17.5
135.04417	5.9
135.08061	4.4
135.11649	4.0
137.05949	2.3
137.09654	6.4
143.08583	6.7
145.06511	5.5
145.10141	7.6
145.83620	2.3
147.04463	10.9
147.08064	3.7
147.11685	9.0
149.06018	3.5
149.09659	7.8
151.03955	4.4
151.11200	4.8
152.18680	2.5
155.08591	4.8
157.06535	4.7
157.10147	10.3
159.04295	3.8
159.08119	3.7
161.05997	4.5
161.09634	8.8
163.03938	4.5
163.11234	6.5
167.08626	3.4
169.10139	3.6
171.08064	5.7
171.11734	4.1
173.05975	6.0
173.09622	3.1
175.03943	4.6
175.11180	14.2
177.12773	3.2
179.10744	2.8
185.05945	2.6
185.09610	4.7
187.11258	3.9
189.05490	4.2
189.09128	7.8
189.11180	4.8
193.12222	21.8
197.05937	2.6
197.09709	4.1
199.11237	3.6
201.05438	2.6
205.12201	3.8
207.10197	3.6
211.13329	6.9
215.10727	4.3
217.12225	2.6
219.13858	3.0
221.09908	2.3
223.11168	3.2
225.09216	2.7
225.11206	5.6
225.14857	2.2
227.12843	4.5
233.11722	3.9
241.12122	2.8
243.10126	3.4
245.11644	3.2
265.14639	2.9
267.15945	59.3
269.11694	4.0
279.95529	2.6
285.17111	4.0
287.12796	8.8
289.14221	2.4
299.14990	25.3
315.12308	4.4
325.01642	2.5
325.14081	2.3
333.13229	6.2
335.87628	2.6
351.14539	3.1
352.65936	2.3
354.51804	2.2
367.22302	2.8
401.20920	3.5
407.16986	7.0
419.22314	4.8
425.17792	5.2
429.20264	2.7
437.23358	5.4
443.02530	2.3
443.18839	4.1
445.25540	3.4
447.21915	5.5
452.48523	2.3
455.24545	2.7
459.27457	6.4
463.26459	2.7
465.22968	3.7
473.25568	10.6
477.28043	2.5
487.29962	2.8
491.26447	37.0
509.27698	3.3
515.26282	2.5
521.25427	2.8
525.24255	3.2
532.18378	2.8
539.26471	32.8
543.26141	5.2
545.27899	5.0
555.28900	3.4
557.27551	100.0
558.27417	4.4
563.27618	3.6
573.30664	2.7
575.28400	33.5
581.27185	9.2
599.28485	34.8
617.29578	83.8
635.30615	53.0
636.30688	3.2
649.30481	3.7
653.31445	10.0
677.31116	2.5
761.32751	4.0
779.34485	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	902.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07208	0.9
65.03951	4.1
65.17835	0.9
67.05505	40.8
69.03428	8.4
69.07071	10.4
69.67484	2.3
69.67877	1.9
71.01364	3.5
71.05006	5.2
73.02917	5.6
77.03968	1.2
79.05495	35.7
79.43913	0.9
81.03417	100.0
81.07057	32.8
82.03770	0.9
82.04212	3.3
83.04984	21.9
83.08618	27.3
83.09096	1.6
85.02906	12.5
85.06534	2.2
87.04467	1.1
91.03950	4.9
91.05478	33.3
93.06448	1.5
93.07043	27.1
93.07600	1.9
94.04183	2.2
95.04968	41.0
95.08604	13.6
96.05762	1.2
97.02883	10.2
97.06535	10.5
97.10173	18.6
98.07341	4.5
99.04478	1.7
99.08095	3.4
103.05481	1.0
105.04527	2.2
105.07029	21.3
107.04960	18.3
107.08592	16.7
107.09261	1.4
109.02870	1.5
109.06523	7.0
109.10166	16.8
111.04443	12.4
111.08086	13.2
115.05487	2.6
116.04714	12.3
117.05509	3.2
117.07025	7.2
119.04935	2.2
119.08584	22.6
120.05847	1.1
121.02869	5.3
121.06496	10.0
121.10149	13.6
123.04436	3.3
123.08044	5.5
125.06002	1.5
125.09638	18.2
127.03970	1.5
127.11206	1.5
129.05493	28.7
129.06975	15.8
131.04918	1.7
131.08562	15.1
132.09348	1.0
133.06525	6.3
133.10133	10.4
135.04399	5.6
135.08070	4.3
135.11682	11.7
135.12611	1.1
136.08810	1.1
137.06017	1.5
137.09610	3.4
141.06978	1.9
142.07777	2.2
143.07047	6.8
143.08583	2.4
143.10623	1.3
145.04997	1.3
145.06458	3.1
145.10118	9.9
145.11087	1.1
147.04466	2.1
147.08023	7.1
147.11670	13.4
149.05963	1.5
149.09630	9.3
153.09164	2.8
153.12747	21.4
155.08566	1.7
155.10695	1.4
157.06616	1.1
157.08621	13.1
157.10138	14.4
159.11740	1.9
161.05981	1.4
161.09694	1.7
163.06044	1.7
163.11180	17.7
165.12776	2.9
169.10237	1.2
171.07968	1.4
171.10199	6.3
171.11545	1.5
173.04373	1.1
173.09605	4.4
173.11754	4.1
173.13205	2.0
174.10390	1.1
175.11182	13.4
181.12239	16.1
183.11714	3.4
185.13263	1.0
187.11168	1.4
189.11197	15.8
189.12689	1.0
191.10658	11.7
193.12234	37.4
193.13956	1.9
194.12648	1.0
199.13272	4.0
200.14110	2.9
201.12801	3.5
201.14873	3.9
203.14334	1.9
205.12276	1.7
209.11739	10.2
211.11360	1.5
211.13281	10.3
219.13742	5.9
225.14755	1.1
227.12764	51.0
229.12285	1.7
229.14331	19.8
231.13780	4.0
237.14880	1.7
247.13303	32.8
249.14803	6.3
255.15948	2.6
259.13245	2.4
265.14343	2.8
267.15909	91.2
268.16272	1.2
273.14935	1.2
283.15430	29.5
283.18613	1.4
285.17151	2.7
301.16479	33.7
321.16940	12.3
339.17987	5.8
349.19861	1.3
355.22821	3.1
365.20956	1.8
383.22037	6.0
391.24921	1.2
401.23047	2.6
421.25574	2.2
447.27484	1.9
457.25800	4.5
458.26724	1.8
459.27386	4.1
461.28696	2.5
471.79752	1.1
475.26929	26.0
476.27756	3.7
477.28690	1.6
491.63031	1.1
493.27957	37.8
499.59286	1.1
499.66516	1.1
507.28793	1.1
525.30286	5.3
543.31982	1.1
601.29602	1.3
619.30768	2.1
637.32190	1.6
833.93726	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	902.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.7
67.05502	15.2
69.03425	1.1
69.07065	2.3
71.04990	6.9
71.34995	0.6
79.05492	8.2
81.03413	11.3
81.07056	22.0
83.04980	2.1
83.08628	4.8
85.02898	2.6
85.06541	2.3
91.03961	1.0
91.05480	10.0
91.06051	0.6
93.07047	8.2
94.18198	0.5
95.01302	0.5
95.04966	8.6
95.08609	4.9
97.02883	1.0
97.06502	2.4
97.10152	2.9
99.03864	0.5
105.07024	6.8
107.04955	6.7
107.08591	5.6
109.06519	5.4
109.10175	3.5
111.08087	1.9
117.06991	2.8
119.08582	3.7
121.06510	5.2
121.10135	3.9
123.04419	0.7
123.08073	2.0
123.11694	3.6
125.09653	2.3
127.03934	0.7
129.06984	2.9
131.04961	0.6
131.08568	6.7
133.06519	1.0
133.10146	6.0
135.08070	1.7
135.11728	1.7
137.09608	0.8
141.06946	0.5
143.08578	1.5
145.06483	2.2
145.10118	2.5
147.08043	1.4
147.11748	1.6
149.09586	2.4
149.13263	1.7
151.11197	1.9
155.08559	0.8
157.10165	3.1
159.11707	1.7
161.09579	0.6
163.06001	0.5
163.11209	1.3
165.12802	0.6
169.10136	0.7
171.11710	1.5
173.09586	0.6
173.13297	1.6
175.11180	2.1
177.12744	0.8
183.11797	0.5
183.13835	1.2
185.09654	0.6
185.13214	0.8
186.86295	0.5
187.11276	0.7
187.13339	0.9
189.11168	0.8
189.12698	1.1
191.14325	2.0
193.10606	1.0
193.12131	3.3
195.13745	0.6
197.13281	0.6
199.14844	0.5
201.12833	0.8
203.14320	0.9
205.12231	1.2
217.16060	0.7
219.13800	3.7
221.15385	0.5
231.13889	0.9
243.15977	0.8
249.14883	0.9
257.17581	1.2
267.15921	4.4
269.17642	1.3
273.15024	0.5
275.16580	0.8
275.20059	0.7
299.19049	0.5
301.14380	0.8
301.20056	2.6
325.21658	1.1
337.03162	0.5
343.22742	4.0
351.23450	1.0
361.23624	1.2
369.24304	1.9
371.25943	1.1
387.25143	1.2
389.25800	0.5
407.25845	1.4
417.26212	2.3
425.26706	1.5
435.27478	10.8
443.27878	6.8
461.28961	100.0
462.29340	2.9
475.30344	1.7
477.28308	0.8
493.31641	3.7
503.29761	1.1
527.29999	0.8
535.32574	0.9
543.29590	0.9
569.31366	2.2
587.31995	2.1
589.34253	0.6
601.33856	1.6
605.32947	1.9
619.34924	2.6
623.33502	0.6
637.35406	2.0
844.40204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.6
67.05505	36.8
69.03430	1.9
69.07071	10.1
69.57851	1.6
69.58225	2.4
71.01317	0.9
71.04981	2.0
73.02921	2.3
77.03914	1.3
79.05495	31.0
81.03424	2.6
81.07057	38.4
83.04967	3.6
83.08624	8.2
85.02914	4.1
85.06555	1.0
89.14809	0.9
91.03954	2.5
91.05477	15.1
93.07043	45.5
95.04966	7.3
95.08608	44.0
97.02883	4.7
97.06521	3.4
97.10176	2.8
99.04466	3.0
105.04533	1.4
105.07043	12.0
107.04962	7.4
107.08597	27.7
109.02835	0.9
109.06512	2.0
109.10156	10.4
111.04421	1.4
111.08086	1.5
117.07014	9.2
119.08569	11.0
121.06512	4.3
121.10143	18.2
123.08069	2.0
123.11694	2.5
125.05997	2.3
125.56633	0.9
127.03875	1.3
129.07027	0.7
130.07756	1.6
131.08594	4.6
133.10124	6.7
135.08002	1.5
135.11687	48.7
137.09596	0.9
137.13249	1.0
139.07564	1.4
143.08575	1.3
145.05026	0.9
145.08968	1.4
145.10120	28.0
147.11676	2.1
149.09695	1.1
149.13264	2.8
153.12701	0.9
159.11737	1.7
161.13235	1.3
163.11183	55.6
163.14830	1.6
173.09521	1.3
173.13251	2.6
177.16325	1.0
181.12228	10.8
187.14752	1.5
227.12776	62.8
243.21074	2.2
261.22177	7.4
283.15399	100.0
284.15717	0.8
314.27460	1.0
317.24884	1.9
330.78421	0.7
335.25803	86.0
336.26083	1.4
427.19641	1.8
529.38995	1.0
543.36798	99.0
544.37347	2.3
561.37732	2.2
605.21851	0.9
638.78027	0.9
684.18109	0.8
687.40637	1.1
705.41895	0.8
901.15802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.1
67.05506	48.8
69.03426	3.9
69.07069	12.5
71.04993	3.9
71.08620	2.0
71.09074	1.1
73.02905	5.1
77.56590	1.0
79.05494	42.8
81.03419	14.6
81.07058	51.1
83.01339	6.2
83.04992	9.1
83.08626	15.8
85.02909	18.0
85.06538	2.7
91.03952	13.1
91.05478	25.9
93.06447	2.5
93.07046	49.8
95.04967	10.2
95.08607	44.0
97.02894	10.2
97.06527	6.3
97.10166	6.7
99.04456	4.1
99.08102	1.3
101.06289	1.1
105.04531	2.4
105.07024	20.3
107.04968	9.1
107.08588	30.6
109.02878	1.4
109.06523	7.4
109.10155	18.5
111.04443	2.3
111.08094	1.9
117.07014	13.9
119.08578	18.5
121.06505	3.5
121.10145	22.5
123.08098	7.1
123.11721	4.3
125.09646	2.3
127.03932	5.0
129.07027	2.5
130.07867	1.3
131.08574	12.4
133.10132	11.6
135.08044	1.5
135.11697	23.0
137.09628	2.2
137.13246	2.5
143.08578	1.8
145.04965	4.7
145.06592	0.9
145.10136	18.9
147.08046	2.9
147.11734	6.8
149.09621	2.1
149.13257	6.5
153.12733	2.8
154.34874	1.1
155.08521	2.1
157.10149	1.9
159.11688	6.8
161.13269	5.5
163.06023	5.9
163.11195	24.7
163.14877	2.7
173.09674	2.4
173.13263	5.2
175.14876	1.7
181.12228	3.1
185.13240	1.7
187.14856	2.9
189.11218	2.5
191.10747	1.7
193.12212	3.0
199.14806	1.8
209.11751	5.6
211.13246	2.0
227.12791	16.2
229.14317	1.7
243.21075	5.5
259.20517	1.2
261.22162	18.3
267.15897	4.5
268.16330	2.1
283.15393	95.9
299.23727	4.2
313.27423	2.7
314.27802	3.1
317.24713	4.3
333.24210	2.8
335.25797	93.6
336.26172	2.0
336.78610	1.2
433.31137	2.7
451.32181	3.6
469.33051	2.6
487.34161	2.4
503.33466	1.6
506.38882	2.4
507.39496	1.5
515.37268	1.8
525.35840	6.9
543.36835	100.0
544.37024	2.2
561.38129	6.3
705.42065	1.5
770.72961	1.1
845.49518	1.2
862.21008	1.3
902.46045	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	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.2
67.05505	34.3
69.03400	1.1
69.07065	7.9
71.04942	2.2
73.02900	1.2
77.03912	0.6
79.05492	27.7
81.03422	2.4
81.07054	31.8
83.04938	2.3
83.08608	6.1
85.02911	2.5
85.06499	1.1
91.03912	2.2
91.05477	13.1
91.06321	0.6
93.03309	0.6
93.07043	41.1
95.04968	6.3
95.08604	37.7
97.02907	4.1
97.03445	0.9
97.06490	2.3
97.10110	1.6
99.04427	3.1
103.05423	0.5
105.04462	1.5
105.07022	8.9
107.04969	4.7
107.08591	24.0
109.06465	2.2
109.10162	9.3
111.08058	1.0
111.44972	0.6
113.05932	0.6
117.06319	0.5
117.07014	7.5
118.28099	0.5
119.07770	0.7
119.08574	10.9
121.06496	3.0
121.10133	14.5
123.08008	1.3
123.11716	3.1
125.05943	2.0
125.09693	0.6
129.06931	0.6
130.07738	1.3
131.08560	4.4
133.10114	4.2
135.08017	1.4
135.11687	34.5
137.09599	0.7
137.13220	1.0
139.07468	1.7
143.08542	0.9
145.04968	0.8
145.10115	18.5
147.11694	2.5
149.09665	0.6
149.13293	3.2
153.12706	1.4
159.11667	2.6
161.13185	1.8
163.11177	36.4
163.14774	0.9
173.09521	1.0
173.13264	2.1
181.12218	7.0
184.07280	0.5
187.14714	0.8
187.74586	0.6
209.11650	1.2
227.12767	41.6
228.13254	0.6
229.14427	0.6
243.20978	2.1
261.22125	7.9
267.15958	0.7
283.15393	57.2
284.15781	0.8
317.24667	2.4
335.25787	97.2
336.26151	1.0
427.19537	0.7
529.38965	0.7
543.36798	100.0
544.37000	2.6
561.37640	1.1
705.42358	0.9
825.45984	0.6
841.68506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.3
67.05505	35.6
67.13274	0.9
68.56077	0.8
69.03436	3.3
69.07070	10.8
69.10177	5.1
69.93547	0.9
71.04982	3.4
71.08630	2.3
72.34776	0.7
73.02911	3.5
77.03918	1.0
79.05492	29.9
81.03419	12.1
81.07058	41.4
83.01342	6.0
83.04978	9.7
83.08621	12.4
85.02904	18.4
85.06548	1.7
85.10151	0.9
91.03963	10.1
91.05479	17.4
91.06046	1.1
93.07047	37.1
94.95453	0.9
95.04975	8.8
95.08604	24.9
97.02879	7.3
97.06523	3.6
97.10143	4.2
99.04456	2.6
99.08096	1.3
105.07021	12.2
107.04955	5.0
107.08594	21.4
109.02898	1.1
109.06506	5.1
109.10156	12.5
111.04453	2.2
111.08086	3.0
117.07025	6.9
119.08574	13.1
121.06498	3.0
121.10153	15.8
123.08095	5.7
123.11699	3.0
125.05992	1.2
125.09618	2.6
127.03910	4.0
129.07028	2.2
131.08578	9.3
133.10120	7.5
135.08066	2.7
135.11699	17.0
137.09583	1.5
137.13249	1.2
143.08565	1.8
145.04950	3.7
145.10120	14.1
147.08023	1.8
147.11700	4.6
149.13258	4.3
153.12740	2.8
155.08553	1.3
157.10097	1.8
159.11688	4.3
161.13293	3.5
163.06026	5.6
163.11182	16.1
163.14828	3.3
171.11609	1.8
173.09662	2.3
173.13280	3.5
175.14816	1.9
177.16504	1.1
178.62410	0.8
179.14299	1.0
181.12207	2.7
183.11728	0.8
184.07333	1.1
187.14850	1.6
189.11208	1.7
191.10632	2.1
193.12221	2.3
209.11777	5.7
211.13329	1.1
227.12782	10.7
243.21072	2.6
259.20392	1.1
261.22159	12.1
267.15912	4.5
268.16113	1.1
277.21933	0.9
283.15393	100.0
284.15674	1.6
299.23645	3.4
313.27393	2.5
314.27734	2.7
315.27930	1.5
317.24789	4.8
333.24280	2.8
335.25793	62.3
433.30777	1.9
451.32016	4.9
469.33127	2.7
487.34329	1.9
505.38684	1.1
506.39038	2.3
507.39685	1.8
515.37006	1.3
525.35620	7.2
543.36841	62.3
544.36926	2.1
561.37878	5.7
902.47668	2.3
903.48254	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	5.6
67.05507	93.9
69.03427	6.2
69.07068	35.0
71.04990	9.8
73.02918	3.1
77.03931	1.9
79.05496	67.4
81.03411	10.7
81.07058	100.0
83.04988	10.4
83.08623	20.0
85.02913	14.3
85.06544	7.0
91.03985	8.8
91.05482	69.2
93.07046	83.9
95.04970	16.9
95.08613	42.0
97.02907	8.8
97.06537	18.5
97.10169	6.6
99.08109	3.6
102.23798	1.7
103.05465	3.6
105.04507	5.5
105.07037	55.0
107.04948	5.9
107.08597	45.6
107.58501	1.5
109.02885	1.8
109.06520	6.5
109.10155	20.4
111.08085	8.4
115.05469	3.7
117.07021	25.9
117.60876	1.5
119.08578	41.2
121.06497	5.0
121.10144	29.6
123.08059	6.1
123.11716	6.2
125.09653	5.6
127.03909	4.9
128.06233	2.4
129.05542	2.4
129.06995	9.7
131.08565	29.4
133.10133	49.2
135.08060	5.0
135.11690	24.6
137.09607	6.3
141.06953	2.2
143.08575	12.0
145.04942	1.9
145.10130	18.4
147.08060	1.8
147.11697	31.5
149.09607	11.5
149.13264	21.9
151.11165	2.2
155.08537	3.5
157.10149	10.5
159.11710	26.3
161.09682	3.8
161.13243	15.9
163.06052	3.0
163.11221	2.7
163.14819	2.7
165.12782	3.9
167.08623	2.0
167.10744	1.9
167.14249	1.9
169.10158	3.1
171.11722	12.2
173.09596	1.7
173.11769	4.2
173.13257	11.3
175.11179	3.8
175.14833	6.8
177.12773	7.1
183.11700	5.3
185.13245	7.3
187.14847	3.1
189.11145	1.7
189.16380	2.1
193.12207	2.5
195.13805	13.9
197.13278	3.8
199.14827	5.6
212.75708	1.8
213.14754	3.3
215.18066	2.1
227.12779	3.9
229.14363	8.0
231.21143	3.8
241.19550	18.6
257.18918	3.2
259.20572	55.5
261.22125	2.6
267.15982	8.6
269.17453	65.8
271.20825	1.7
275.20044	12.9
277.21667	2.1
291.19565	3.7
307.22559	2.0
315.23138	5.9
331.17239	1.5
333.24252	59.1
335.25735	2.7
347.21936	2.3
349.23773	7.7
384.03030	1.6
423.27383	8.2
435.32587	5.9
449.28912	3.4
453.33594	4.7
503.33527	3.6
509.35870	4.4
515.37054	1.8
527.37347	77.4
543.36633	6.8
545.38367	29.5
559.36212	1.7
623.42603	2.6
635.39050	2.4
653.40082	3.8
671.40930	6.8
689.41815	3.6
739.64337	1.5
740.51703	1.7
754.57190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	6.0
67.05507	84.3
69.03439	4.7
69.07066	36.3
69.24089	6.6
71.05000	8.4
73.02924	2.1
77.03957	1.4
79.05495	60.0
80.22084	1.3
81.03394	6.9
81.07059	90.3
83.04983	7.9
83.08624	21.2
85.02914	11.3
85.06557	5.1
86.09708	1.4
91.03967	5.8
91.05480	66.6
93.07046	85.2
95.04971	12.2
95.08615	47.4
97.02896	6.4
97.06536	15.5
97.10165	4.8
99.04512	1.5
99.08094	6.3
105.04546	3.6
105.07033	58.4
107.04990	4.9
107.08592	51.0
109.06533	5.9
109.10168	18.6
111.08105	8.2
113.09647	3.0
117.07018	26.1
117.07789	2.0
119.08587	49.6
121.06544	2.1
121.10150	32.4
123.08084	3.8
123.11731	4.2
125.09633	4.6
127.03963	2.5
128.06233	2.5
129.05533	2.9
129.07008	11.7
131.08565	33.5
133.10139	41.1
135.08075	5.2
135.11703	22.0
137.09634	5.1
139.11118	1.4
142.07809	2.4
143.08554	10.8
145.05017	1.7
145.10118	23.5
147.08063	2.3
147.11691	39.4
149.09642	8.5
149.13260	32.4
149.14445	1.8
151.11208	2.5
153.09184	1.4
155.08601	2.8
157.10144	10.8
159.11699	27.0
161.09621	2.9
161.13263	24.4
163.06078	3.3
163.11211	4.0
163.14864	3.5
165.12794	1.9
167.14287	1.5
169.10229	3.3
171.11617	12.3
173.04594	1.7
173.11798	2.8
173.13280	11.0
175.11235	3.2
175.14821	9.9
177.12714	6.9
181.10120	2.6
183.11664	4.0
184.07385	2.6
185.13255	10.8
187.14836	1.5
191.14294	1.6
195.12193	2.3
195.13806	12.9
197.13297	2.5
199.14911	3.9
209.13338	1.9
213.16489	2.8
215.17894	1.7
227.12683	2.5
229.14455	5.0
231.21013	6.3
238.50183	1.8
239.18037	1.8
241.19502	24.8
257.19067	3.0
259.20587	76.7
260.20981	1.8
261.22269	1.5
267.15936	14.7
269.17480	89.2
275.20062	9.5
291.19382	1.5
305.80115	1.4
315.23187	6.3
331.22534	1.7
333.24237	53.2
349.23730	5.8
423.27573	6.2
435.32733	7.1
445.29379	2.1
453.33557	4.3
471.34723	3.5
503.33167	2.7
509.36246	5.4
515.37213	1.5
517.38776	3.6
527.37354	100.0
528.37103	1.8
543.36676	5.5
545.38470	35.0
559.36273	1.8
611.39032	1.5
623.42828	2.2
635.39087	2.9
653.40686	2.4
671.40619	2.2
689.41986	2.0
904.50800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.9
67.05505	37.6
69.03425	3.3
69.07069	9.1
71.01347	0.6
71.04995	3.1
71.08617	0.3
73.02917	2.8
77.03931	0.6
79.05493	30.7
80.48226	0.3
81.03419	35.4
81.07055	38.6
83.04981	8.9
83.08617	16.1
85.02905	21.6
85.06528	1.7
87.04504	0.6
91.03964	6.1
91.04527	0.5
91.05000	0.4
91.05477	26.6
93.07043	32.1
95.04970	17.0
95.08604	27.1
96.04536	0.5
97.02890	6.5
97.06529	3.2
97.10165	3.4
99.04466	0.6
99.08112	1.4
100.18630	0.3
103.03970	0.3
103.05487	0.3
105.04543	1.7
105.07029	20.6
107.04964	4.0
107.08595	16.0
107.09338	0.5
109.06529	3.8
109.10149	10.5
111.04460	1.0
111.08080	6.2
113.05984	1.5
113.09641	0.3
115.03941	0.7
115.05460	1.3
117.07029	4.0
119.04939	0.5
119.06076	0.4
119.07858	0.3
119.08576	16.7
121.06508	1.1
121.10143	16.9
123.08070	2.1
123.11715	4.3
125.09651	1.5
127.03914	1.9
128.06296	0.3
129.05530	0.5
129.07004	7.1
131.08565	11.5
133.06453	1.4
133.10121	11.3
135.08075	0.7
135.11696	6.7
137.09596	1.5
137.13245	0.7
139.11131	0.4
142.07744	1.6
143.08588	0.8
145.04971	1.8
145.10112	4.6
147.08058	1.7
147.11679	10.9
149.09615	3.6
149.13254	3.4
151.11180	0.7
153.12811	0.3
155.08546	0.7
157.10126	8.9
157.11388	0.5
159.08006	0.3
159.11685	3.3
161.13286	2.0
163.06007	2.4
163.11215	0.9
163.14809	1.4
165.12720	2.3
169.10132	0.4
171.11641	0.6
173.13240	2.7
175.09660	0.5
175.11188	8.9
175.14839	1.2
177.12874	0.3
177.16376	0.4
179.14421	0.5
181.10156	0.4
183.11697	0.5
185.13286	0.8
187.14821	1.4
189.11232	0.3
189.16391	0.4
193.12244	24.2
197.13368	0.3
201.16411	0.5
211.13286	31.7
215.17964	0.4
227.12822	1.0
229.14413	0.7
243.21085	2.7
259.20316	0.3
261.22147	8.4
267.15903	9.5
279.23190	0.4
285.16959	41.8
286.17444	0.4
291.19910	0.3
299.23642	0.5
301.25259	0.8
317.24573	2.0
335.25790	62.0
336.26181	0.8
341.24847	0.3
396.81323	0.3
417.31369	0.6
435.32623	1.7
453.33673	1.5
471.34641	0.9
487.34708	0.4
509.36331	0.9
527.37329	14.1
545.38361	100.0
546.38971	1.5
563.39252	0.6
601.64374	0.3
689.42340	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	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.9
67.05503	36.5
68.04001	0.3
69.03429	4.3
69.07067	9.5
71.04990	3.0
71.08618	0.5
73.02921	3.0
73.06558	0.3
77.03877	1.0
79.05492	30.8
81.03415	42.2
81.07053	38.5
83.04977	11.3
83.08619	16.9
85.02901	26.0
85.06522	1.7
87.04443	0.4
91.03965	6.6
91.05477	29.2
93.07041	30.0
95.04968	20.0
95.05595	0.7
95.08603	25.1
97.02894	7.3
97.06047	0.4
97.06532	3.7
97.10168	3.2
98.22608	0.8
99.04430	1.1
99.08051	1.2
105.04498	1.5
105.07026	21.2
107.04965	3.7
107.08592	15.8
109.02857	0.8
109.06515	4.0
109.09436	0.5
109.10155	9.9
111.04443	2.2
111.08076	7.6
113.05994	1.7
115.03942	0.5
115.05412	1.4
116.06182	0.4
117.07013	4.2
119.04901	0.5
119.08574	16.5
119.62414	0.4
121.06493	1.2
121.10142	15.0
123.08035	2.7
123.11703	3.8
125.09617	2.0
127.03917	2.5
128.06189	0.4
129.07005	8.0
131.08568	11.8
133.06502	2.1
133.10121	11.7
135.08075	0.5
135.10764	0.6
135.11702	6.7
137.09624	1.8
137.13216	1.1
141.06963	0.4
142.07797	1.9
143.08592	0.9
144.06561	0.3
145.04964	2.6
145.10121	5.0
147.08072	2.1
147.10580	0.7
147.11684	12.4
149.09615	3.9
149.13240	3.5
151.11139	0.7
153.12613	0.5
155.08548	0.6
157.08853	0.5
157.10130	9.4
159.11671	3.9
161.13243	2.7
163.06032	3.9
163.11177	0.9
163.14813	1.4
165.12775	2.3
169.10133	0.6
171.11761	0.4
173.13252	2.3
175.11177	10.7
175.14801	1.1
183.11609	0.6
183.13647	0.3
185.13293	0.5
187.14789	1.2
189.11235	0.9
193.12238	33.1
197.13297	0.4
201.16418	0.6
211.13284	56.6
212.13710	0.5
227.12732	1.5
229.14182	0.4
243.21017	2.7
249.14813	0.7
261.22128	8.3
267.15909	13.0
269.17383	0.9
279.23422	0.4
283.15430	0.7
285.16959	69.0
286.17267	0.7
301.25153	0.8
317.24652	2.0
333.24188	0.6
335.25778	56.4
336.26154	1.0
433.29868	0.5
435.32642	2.0
453.33810	2.0
471.34448	1.1
509.36633	0.7
527.37292	14.8
545.38361	100.0
546.38971	2.3
563.39136	1.2
689.42133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.8
67.05504	35.8
67.05868	1.8
69.03421	4.3
69.07066	13.8
69.10070	1.9
69.10471	4.6
71.04970	3.5
71.08620	1.0
71.14853	0.7
73.02905	2.6
77.03912	1.0
79.05491	21.5
81.03415	33.4
81.07054	37.1
82.03728	0.9
83.04983	7.8
83.08614	17.8
85.02400	1.7
85.02899	21.4
85.06561	1.3
91.03947	4.7
91.05476	20.2
92.05837	0.8
93.06448	1.3
93.07038	18.2
95.04967	12.8
95.08020	1.6
95.08600	24.5
96.38744	0.7
97.02888	8.6
97.06527	3.5
97.10155	4.6
98.23421	1.9
99.08105	1.0
105.04488	1.0
105.07027	15.1
107.04916	3.9
107.08592	8.6
109.06512	2.8
109.10158	13.6
111.04443	1.6
111.08064	5.6
113.06017	1.3
113.22270	0.7
117.07034	1.8
119.08585	13.4
119.70699	0.8
121.06528	1.2
121.10144	8.7
123.08073	1.5
123.11710	4.7
125.09583	1.2
127.03878	2.8
129.06989	6.9
131.08586	8.3
133.06523	2.3
133.10124	9.7
135.11676	3.6
136.22548	0.8
137.09630	2.4
137.13240	1.2
139.11089	0.9
142.07785	1.4
145.04967	2.0
145.10089	1.6
147.08047	1.1
147.11668	9.9
149.09605	3.3
149.13246	1.1
157.10132	6.4
159.11633	1.2
161.13234	2.2
163.05981	2.3
163.11147	1.1
163.14830	1.2
165.12778	1.9
175.11185	8.3
175.14796	1.4
183.04688	0.7
184.07330	1.8
189.16313	0.8
193.12239	24.3
211.13271	36.5
214.65179	0.8
229.14290	1.2
230.14723	0.8
245.22667	1.5
263.23770	2.5
267.15884	13.6
285.16953	56.9
335.25644	1.5
337.27356	49.6
338.28116	0.9
369.04010	0.9
401.02844	1.1
452.56717	0.8
489.35550	2.2
503.37128	1.1
529.38855	13.3
547.39893	100.0
548.40125	2.1
660.36487	1.3
691.41449	0.8
846.50122	0.9
906.50903	23.3
907.47552	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	906.543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.1
67.05505	30.5
67.05867	1.5
67.47263	0.5
69.03423	2.6
69.03838	0.6
69.07074	11.8
70.17950	0.7
71.05006	2.7
71.08635	1.3
73.02899	3.3
79.05494	15.9
79.38248	0.6
81.03043	0.4
81.03418	26.5
81.07059	33.5
83.04990	5.6
83.08620	15.5
85.02902	14.6
85.06553	1.5
89.41238	0.7
91.03953	5.0
91.05476	16.0
93.07041	14.5
95.04960	10.3
95.08603	21.9
95.09210	1.1
97.02899	4.1
97.06519	3.7
97.10181	4.5
99.04453	0.8
99.08094	1.4
105.07021	10.8
107.04935	3.4
107.08595	7.0
109.06525	2.8
109.10146	9.3
111.04469	0.9
111.08070	5.1
113.06024	0.9
117.07056	1.1
119.08574	9.6
121.10131	6.9
123.08057	1.5
123.11696	4.3
125.09626	1.2
127.03938	2.2
129.07002	4.4
131.08563	4.6
133.06474	0.9
133.10120	7.9
135.11725	3.2
137.09624	1.2
137.13258	1.0
142.07802	1.1
145.04994	2.0
145.10101	1.1
147.08092	1.4
147.11665	8.2
149.09688	3.2
149.13249	1.4
157.10109	5.5
161.13260	2.1
163.05972	1.6
163.11234	0.9
163.14804	1.4
165.12805	1.4
175.11162	6.0
175.14775	1.1
184.07460	0.8
193.12241	19.8
193.13960	1.1
211.13287	23.6
240.71565	0.6
245.22601	1.4
263.23700	3.1
267.15887	9.1
277.21518	0.7
285.16962	36.0
335.25830	2.1
337.27356	53.2
489.36212	1.2
491.77057	0.8
503.38287	0.8
529.38910	13.2
538.74005	0.7
546.38885	0.9
547.39911	100.0
548.40234	2.5
565.40869	0.9
806.54694	0.8
906.51013	16.8
907.46777	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	907.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05530	1.3
69.03453	2.2
71.04987	1.2
71.39514	1.0
73.02924	2.9
79.05503	1.6
81.03015	0.9
81.03445	4.1
81.07088	2.5
83.08614	1.4
85.02906	4.8
91.03976	2.3
91.05508	1.5
93.07054	1.8
97.02934	3.8
101.02393	1.7
107.08619	1.0
121.10220	1.7
127.03932	1.6
129.05461	1.0
157.10202	1.1
203.05315	1.4
243.08559	1.2
283.15359	4.1
301.09137	2.9
309.16629	2.2
323.18231	1.0
347.09555	6.9
363.09189	3.6
381.18997	3.6
395.21158	1.4
405.13950	4.2
427.19501	2.1
463.14169	7.9
465.28461	1.3
477.16049	2.5
501.23227	5.9
529.22900	1.6
535.16296	1.3
545.22375	2.2
547.23700	5.8
559.23853	3.4
589.24908	2.3
619.26392	1.5
631.26172	2.8
643.33087	1.8
647.24597	1.2
663.28503	11.7
691.28064	5.9
735.30713	6.7
749.32050	1.9
763.33203	2.3
777.35284	1.7
803.37085	2.5
805.38721	3.7
907.41394	100.0
908.42255	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	907.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07446	0.4
67.05506	2.8
69.03434	2.8
69.07093	1.0
69.19984	2.1
71.04972	0.4
73.02921	2.5
79.05502	2.6
81.03437	1.5
81.07057	3.1
83.04971	0.4
83.08626	0.6
85.02909	4.1
85.03352	0.4
91.03943	2.6
91.05511	1.4
93.07063	3.1
95.05005	0.9
95.08613	3.3
97.02896	3.9
99.04488	0.7
101.02396	1.0
105.07055	0.9
107.04964	0.7
107.08604	1.9
109.02901	0.6
109.06565	0.4
109.10194	0.8
109.24644	0.3
115.03925	0.4
117.07099	0.5
119.08612	1.0
121.10134	0.9
121.49888	0.4
127.03968	1.2
131.08643	0.4
133.10237	0.7
135.11710	3.5
139.30699	0.3
140.65869	0.4
145.10158	1.4
163.11176	2.8
181.12320	0.7
185.04311	0.7
197.28067	0.4
227.12813	2.6
243.08546	1.5
249.10992	4.9
252.16093	0.6
305.13736	1.5
335.26050	1.0
347.09579	2.3
365.10712	0.8
405.13705	5.5
467.18954	8.5
488.39923	0.4
519.29395	5.1
530.39551	0.7
547.38580	0.4
548.39929	0.7
583.35583	0.4
583.44269	0.8
629.23975	6.6
681.34631	4.6
745.41400	2.3
897.68414	0.5
907.46661	100.0
908.46857	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	907.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.2
68.05856	0.3
69.03431	2.9
69.07086	0.8
71.01373	0.3
71.05004	0.7
73.02920	3.3
73.69932	0.2
79.05502	2.9
81.03426	2.1
81.07059	5.1
82.07378	0.6
83.04995	0.3
83.08636	0.7
85.02904	5.2
91.03956	2.8
91.05489	1.8
93.07046	3.3
94.07407	0.5
95.04971	0.7
95.08603	2.8
97.02889	4.9
97.06522	0.3
98.22604	0.3
99.04486	0.8
101.02390	1.9
105.07032	1.4
107.05036	0.3
107.08590	2.4
109.02900	0.9
109.10165	1.0
115.03959	0.5
117.07051	0.5
119.08619	0.7
121.06496	0.3
121.10141	1.7
123.11723	0.3
127.03905	1.6
131.08617	0.7
133.10179	0.9
135.11685	1.9
145.05037	0.5
145.10161	1.1
147.11711	0.5
149.13341	0.7
159.11766	0.5
161.13306	0.4
163.11177	1.9
185.04280	1.0
203.05263	0.5
227.12776	1.3
243.08374	1.8
243.16098	0.9
249.11002	6.6
257.23303	0.3
261.22037	0.4
269.17279	0.5
287.18698	0.6
288.18784	0.2
305.08337	0.3
305.13724	0.8
335.25601	1.1
336.26337	0.8
347.09512	1.7
351.85278	0.3
363.09360	0.3
365.10675	0.7
405.13651	4.8
405.18610	0.3
467.18951	4.7
490.35974	0.3
503.37421	1.7
504.37643	2.3
516.24731	0.2
519.29352	6.8
529.38373	0.4
530.39032	0.3
547.39545	0.7
548.39886	1.3
583.35693	0.3
629.24115	3.2
681.34534	6.6
745.41077	2.1
907.46545	100.0
908.47119	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	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.2
67.08266	0.4
67.64533	0.4
69.03438	2.5
69.07082	1.0
71.04996	0.6
73.02923	3.3
79.05492	3.0
81.03443	1.6
81.07061	2.7
83.08698	0.5
85.02918	5.7
91.03977	2.9
91.05481	2.2
91.24068	0.5
93.07045	2.8
95.04987	0.6
95.08636	1.4
97.02908	3.9
99.04474	0.6
101.02421	1.3
103.03973	0.5
105.07027	2.0
107.08624	1.9
109.02911	0.7
117.07079	0.5
119.08617	1.4
121.10196	1.2
127.03944	1.4
131.08583	0.6
133.10132	0.9
140.23808	0.5
144.86443	0.5
145.04948	0.6
147.11775	0.5
149.13316	1.4
150.51884	0.4
159.11754	0.7
184.07442	0.6
185.04286	1.4
195.13931	0.7
201.03761	0.8
203.05313	0.8
235.13165	0.6
243.08488	2.8
291.15433	0.6
301.08838	2.9
315.10669	0.8
347.09583	2.9
363.09033	0.8
365.10541	0.8
365.23035	1.2
371.84686	0.5
373.11282	0.7
385.18796	1.1
405.13736	4.4
443.19110	0.8
453.21060	5.5
455.97293	0.5
463.14389	0.8
465.21017	0.7
481.20569	0.7
483.22324	0.5
525.23022	0.6
535.28979	2.8
541.22723	1.6
551.28711	0.6
567.28662	0.5
583.30951	1.7
615.26196	6.2
623.30835	0.7
625.31067	0.7
687.28284	0.7
697.34308	3.0
723.39587	0.9
747.42902	1.1
780.68890	0.5
823.43781	2.9
891.49982	0.8
909.48511	100.0
910.49103	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	909.483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67855	0.1
67.05515	2.4
69.03436	3.2
69.03799	0.2
69.07078	0.6
69.62646	0.5
70.22158	0.1
70.29235	0.1
71.01363	0.3
71.05014	0.5
73.02927	4.4
77.64780	0.1
79.05499	1.9
81.03427	2.3
81.07065	2.5
83.01330	0.1
83.04436	0.1
83.04992	0.5
83.08654	0.6
84.75073	0.1
85.02912	7.2
87.04485	0.4
91.03961	3.9
91.05482	1.4
91.05991	0.1
93.07051	2.2
95.04968	0.6
95.08611	1.9
97.02900	5.5
99.04475	0.8
103.03985	0.3
105.04573	0.1
105.07032	1.0
107.08593	1.1
108.11723	0.1
109.02892	0.9
109.06549	0.2
109.10174	0.9
111.08097	0.2
112.16670	0.1
115.03983	0.4
117.07030	0.2
119.08575	0.9
121.10165	1.0
123.11739	0.1
127.03927	1.9
129.05556	0.2
129.07047	0.2
131.08569	0.6
133.10156	0.8
135.11696	0.6
145.05023	0.5
145.10182	0.4
147.11760	0.5
149.09627	0.1
149.13303	0.3
157.10213	0.2
159.15784	0.1
173.13402	0.2
175.11270	0.2
185.04219	0.9
193.12236	0.3
203.05305	0.7
211.13402	0.2
243.08429	2.0
243.10846	0.1
251.12672	0.7
259.08041	0.2
261.22241	0.2
269.12589	0.2
275.07434	0.1
285.17175	0.2
307.15323	0.2
335.25806	0.6
347.09509	2.4
363.09094	0.5
365.10651	1.0
405.13724	5.4
469.20541	4.4
506.09167	0.1
519.29340	6.2
543.47351	0.1
631.25769	3.4
681.34570	6.6
682.35010	0.1
721.37903	0.2
739.37671	0.2
747.43054	1.5
909.48193	100.0
910.48431	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	909.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03975	0.2
67.05509	1.5
69.03429	3.3
69.07075	0.5
71.01367	0.6
71.05001	0.4
73.02919	3.3
79.05492	2.0
81.03418	2.9
81.07050	2.1
81.07426	0.2
83.04971	0.4
83.08637	0.4
85.02904	5.7
85.03403	0.3
87.04477	0.4
91.03960	3.0
91.05470	1.6
93.07039	1.7
95.04981	0.8
95.08614	1.3
97.02895	4.7
97.03477	0.3
97.06567	0.3
98.52196	0.2
99.04482	0.6
102.94727	0.2
103.03954	0.3
105.07024	1.1
107.04972	0.4
107.08623	0.9
109.02930	0.6
109.10178	0.4
111.04502	0.3
111.08119	0.3
115.03956	0.6
117.07066	0.2
119.08624	0.7
121.09384	0.2
121.10182	0.6
123.11774	0.2
127.03935	1.8
129.07048	0.2
130.58379	0.2
131.08591	0.5
133.10210	0.6
145.04964	0.2
147.11769	0.7
149.09676	0.2
157.10179	0.3
159.11694	0.2
175.11185	0.3
185.04236	0.9
193.12308	0.7
203.05394	0.5
211.13406	0.6
243.08456	1.5
251.12659	0.7
279.23950	0.2
307.15408	0.6
335.25934	0.5
347.09534	2.3
363.09018	0.3
365.10660	0.7
389.16660	0.2
405.13687	4.7
405.18707	0.3
469.20450	6.6
470.20889	0.2
519.29260	3.7
519.36328	0.3
631.25696	5.9
681.34467	3.5
721.37329	0.3
739.37683	0.4
747.42920	1.5
823.42297	0.6
909.48120	100.0
910.48303	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	914.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.8
67.05497	14.9
69.07066	10.0
71.05008	1.4
71.44080	0.8
72.65203	0.8
73.02942	0.7
79.05489	17.5
81.03416	4.5
81.07056	18.8
83.04980	3.5
83.08621	3.3
84.89837	0.7
91.03930	0.9
91.05473	21.0
93.07039	17.8
93.07600	1.2
95.01305	1.8
95.04963	5.0
95.08606	12.5
97.02863	1.0
97.06532	13.4
97.10181	2.0
103.05482	1.0
103.80917	0.8
105.07026	24.4
105.85895	0.8
107.04964	6.5
107.08598	7.5
109.10186	3.1
111.08080	0.8
117.07021	5.6
119.08570	14.4
121.10138	3.2
123.08112	1.5
127.82920	0.8
129.07014	3.3
131.08568	6.4
133.10132	13.5
135.11703	3.0
143.08560	2.7
145.10118	6.6
147.11696	11.6
148.41208	0.9
149.09613	3.2
149.13330	1.2
157.10112	0.8
159.11667	4.2
161.13242	4.1
163.11261	1.3
169.10059	0.8
171.11723	4.5
173.13181	1.0
175.11365	0.8
177.12688	1.8
179.14259	5.1
187.11211	1.4
189.12738	1.6
207.13850	3.2
257.18866	1.5
259.20605	1.0
275.20059	23.4
279.16019	2.3
281.17450	22.2
281.22333	0.8
293.21045	2.3
349.23755	12.4
377.22696	0.9
537.35663	1.9
555.36780	100.0
556.37012	2.3
573.37463	2.5
658.63617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60272	0.5
66.82508	0.5
67.05511	8.7
69.03407	1.8
69.07076	5.1
71.04979	1.0
71.08639	14.6
73.02890	1.7
79.05492	4.9
81.03423	43.2
81.07062	12.1
83.04971	2.6
83.08625	15.9
85.02903	3.9
85.06532	0.8
85.10187	8.8
89.06020	1.2
91.03986	2.5
91.05486	7.9
93.07045	4.1
95.04972	14.2
95.08045	0.8
95.08612	12.7
97.02894	3.6
97.06488	0.7
97.10191	3.8
99.08075	0.7
99.11702	0.6
103.07581	0.5
105.07024	5.9
107.04951	2.8
107.08618	2.4
109.06497	1.9
109.10168	5.2
111.04459	0.9
111.08090	4.1
111.11695	0.7
115.05409	0.8
117.06981	1.0
119.08585	6.0
121.06500	1.4
121.10159	3.0
123.04399	1.1
123.08047	1.1
123.11745	2.5
125.09613	0.9
127.03905	1.2
129.07021	3.6
131.08566	4.6
133.06482	1.4
133.10155	2.7
137.09579	1.0
137.13248	1.3
142.07776	1.0
145.04948	1.9
145.10130	1.3
147.04381	0.8
147.08058	1.4
147.11717	4.0
149.09598	2.2
157.10143	5.3
161.23126	0.5
163.06024	2.4
163.11200	1.4
165.12726	1.0
171.11462	0.7
171.93158	0.5
175.11192	6.0
193.03526	0.5
193.12259	21.1
205.12323	0.8
211.13365	1.6
221.22647	0.7
235.13329	1.7
239.23743	1.9
249.14839	1.4
257.24777	2.3
259.13403	1.0
267.15930	100.0
268.16229	1.2
301.14404	1.5
309.16815	2.3
313.27380	95.4
314.27747	1.4
319.15509	0.6
335.22238	0.5
393.18927	1.2
442.44208	0.5
505.38916	82.3
506.39264	1.5
523.39868	2.8
547.40015	6.2
555.41010	1.1
565.40881	0.8
589.41150	1.5
601.41187	2.5
613.40820	1.9
631.32843	0.6
631.41895	2.6
649.43109	2.2
719.51593	0.6
723.37915	0.7
829.50208	0.8
914.51160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.9
67.05510	46.5
69.03413	1.4
69.07071	11.6
71.04999	3.2
73.02928	2.0
77.03967	1.6
79.05501	63.3
81.03441	5.8
81.07064	47.8
83.04980	6.4
83.08627	7.8
85.02900	5.7
85.06548	1.9
91.03966	2.4
91.05487	63.0
93.07052	67.5
95.04971	19.3
95.08615	31.5
97.02903	2.8
97.06550	4.3
97.10172	3.8
98.22652	2.1
99.08107	1.8
103.05458	2.3
105.04541	4.9
105.07036	61.0
107.04972	5.5
107.08604	24.9
109.06551	3.8
109.10162	10.3
111.08112	1.8
115.05425	2.3
117.07026	19.4
119.08597	48.0
121.06538	2.0
121.10152	15.3
123.08092	4.4
123.11717	2.0
125.09653	1.8
127.07597	1.2
128.06212	3.5
129.07008	19.1
131.08571	18.3
133.06474	1.5
133.10132	31.4
135.08032	2.7
135.11693	12.2
137.09656	1.3
141.07062	2.0
142.07845	1.5
143.08554	11.6
145.06598	1.6
145.10144	22.4
147.08057	2.4
147.11694	48.4
149.09500	1.1
149.13298	9.3
152.87335	1.3
155.08559	1.4
157.10149	7.9
159.11687	14.9
161.09656	2.9
161.13272	27.9
163.11218	1.4
163.14862	2.7
169.10228	3.2
171.11688	23.4
173.13255	8.0
175.14813	10.0
181.10265	1.5
183.11781	2.2
185.13217	7.0
187.11223	2.1
187.14902	2.7
189.12683	6.2
195.11815	1.7
199.14807	3.4
205.12262	1.4
207.13831	14.0
211.14848	1.3
213.16556	2.0
231.21159	4.4
241.14400	1.7
241.19559	21.3
243.21187	2.6
257.19040	3.2
259.20605	56.0
261.22116	2.6
279.15979	20.0
281.17493	63.9
283.19409	1.4
301.21628	1.5
312.03534	1.2
313.21732	1.8
315.23276	5.1
331.22534	1.4
333.24271	37.6
339.23187	1.3
447.32681	7.6
465.33615	5.0
483.34903	4.1
521.36060	4.9
529.38824	1.9
539.37360	100.0
540.37402	2.8
557.38348	36.8
701.42523	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	918.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	0.7
67.05415	12.5
67.05811	1.5
68.36678	0.6
69.03340	2.5
69.06976	3.7
69.88547	1.9
71.04902	2.4
71.05270	1.0
73.02847	0.8
79.05399	15.1
79.05896	1.2
81.03323	42.5
81.03848	3.7
81.06960	15.8
83.04881	4.5
83.08521	13.2
83.09048	1.0
85.02808	2.0
85.06441	1.6
91.03871	1.1
91.05476	12.7
91.05993	0.9
93.07042	12.3
95.04961	18.0
95.08607	6.7
97.02779	1.8
97.06413	2.0
97.10060	13.1
97.10737	0.9
98.23386	0.7
99.07973	0.6
105.03285	0.7
105.07027	10.7
107.04953	10.5
107.08597	9.5
109.06523	7.5
109.10152	5.2
111.04362	1.2
111.08068	4.0
113.05950	0.6
113.92109	0.6
115.05379	0.7
117.07011	3.8
119.04899	1.0
119.08586	9.2
119.91934	0.5
121.06503	9.2
121.10149	6.2
123.04300	1.9
123.08062	4.0
123.11629	0.9
125.05933	1.0
125.09631	12.4
125.10932	0.6
127.03840	0.5
128.06104	1.0
129.07001	6.2
131.04805	1.7
131.08556	8.1
133.06491	4.3
133.10130	4.1
135.08069	5.0
135.11589	2.5
137.05891	1.0
137.09534	1.3
141.06863	1.7
142.07715	1.0
143.08452	2.0
145.06468	5.3
145.10117	3.4
147.04280	2.2
147.05374	0.9
147.08038	4.5
147.11702	5.5
149.09633	5.5
153.09094	3.7
153.12592	0.5
155.08394	1.8
157.06354	1.8
157.10132	6.7
159.07903	1.6
159.09169	0.5
159.11578	1.6
161.05869	1.5
161.09488	2.1
163.05994	0.8
163.11191	3.1
165.12621	2.3
167.08434	0.9
167.10556	1.5
169.06407	1.0
169.09981	1.4
171.07918	2.1
171.10153	1.1
171.11586	2.4
173.09549	1.9
173.13116	1.4
175.11195	7.5
177.12671	1.0
181.10019	1.1
183.11586	0.9
185.09555	1.7
185.13176	1.6
187.11053	2.0
187.14772	1.0
189.11089	7.3
189.12691	1.5
191.14203	1.5
193.12236	19.4
195.11650	1.5
197.09479	1.1
197.13130	2.1
199.11076	2.0
199.12976	0.9
201.12529	1.0
205.12088	2.0
209.13130	0.6
211.11183	1.1
211.13141	1.7
213.12616	1.9
215.14337	2.6
217.12157	1.6
219.11609	0.6
219.13687	2.4
223.11143	1.1
223.13173	1.7
225.12639	1.2
225.14629	0.8
227.12518	2.9
227.14565	0.8
231.13670	1.8
233.15321	3.8
235.13161	1.7
237.12643	1.5
239.14175	1.4
243.13710	1.0
245.15335	1.1
249.14766	1.7
255.13750	2.6
257.15308	0.8
259.13202	1.7
261.14886	1.1
267.15906	47.5
268.16324	0.6
269.15289	0.9
271.16998	0.6
273.14771	7.2
273.17188	0.9
275.16562	0.7
281.15176	0.7
289.14401	0.7
289.17719	0.6
290.08383	0.6
291.15918	0.8
293.17523	1.0
309.16962	1.0
321.22067	1.0
325.17606	0.7
339.23233	3.4
349.21561	4.8
357.24191	2.2
367.22668	12.9
385.23727	21.7
403.24643	5.7
423.25589	1.0
441.26349	9.9
454.71359	0.7
459.27402	100.0
460.27795	2.8
477.28479	95.6
478.28860	2.1
491.30103	13.7
501.28345	5.7
509.31085	5.6
513.28247	1.8
519.29382	1.0
531.29553	1.6
541.33624	1.0
543.29443	3.3
567.29327	4.3
585.30450	1.8
603.31976	1.4
810.81793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.6
67.05504	54.8
69.03426	3.5
69.07063	12.6
69.19367	8.9
71.01347	2.5
71.04971	3.6
73.02924	4.9
74.08978	1.5
79.05495	38.8
81.03413	11.6
81.07056	57.3
83.04976	5.4
83.08606	17.0
85.02907	13.5
85.06543	3.1
91.03969	8.6
91.05474	35.4
93.07047	45.2
95.01331	6.1
95.04975	12.1
95.08611	37.6
97.02903	12.6
97.06548	4.5
97.10178	6.0
98.23428	3.2
99.00814	13.4
103.05485	2.7
105.04509	2.0
105.07027	27.4
107.04971	10.9
107.08601	26.0
109.02871	9.2
109.06545	2.5
109.10149	24.1
111.04405	1.6
111.08092	3.8
115.03934	1.9
117.07008	8.2
119.04918	1.7
119.08582	19.6
121.06492	7.1
121.10139	18.4
123.04420	4.0
123.08044	2.1
123.11688	8.4
125.02355	1.8
125.09659	1.9
127.03911	4.3
128.06253	1.9
129.06981	6.4
131.04910	3.2
131.08582	14.2
133.06499	3.5
133.10126	37.4
133.11128	1.8
135.04427	3.2
135.08102	2.7
135.11697	12.5
137.09601	2.2
137.13251	1.7
139.07555	2.9
143.08580	6.4
145.04980	3.2
145.06403	2.6
145.10098	10.0
147.04410	4.3
147.07983	2.4
147.11702	8.0
149.09610	3.0
149.13254	6.4
151.03912	2.0
151.11200	10.3
155.08578	1.9
157.10133	2.8
159.11661	8.2
161.05957	1.8
161.09618	13.4
161.13260	3.5
163.05995	4.0
163.11116	2.8
163.14799	3.2
169.10112	3.1
171.08026	2.9
171.11717	2.8
173.05936	1.5
173.09578	2.2
173.13272	5.4
177.12787	1.9
177.45482	1.7
179.03288	1.7
179.10635	7.7
181.10217	2.2
185.09436	2.1
187.11115	2.0
187.14862	3.5
189.05643	1.8
189.09081	6.5
193.12207	3.7
197.13309	2.0
199.11139	2.3
205.05009	1.7
207.10147	2.4
215.10602	2.5
225.11134	8.7
227.12642	2.6
233.11703	2.0
243.10167	2.3
243.12378	2.8
243.21042	4.4
251.12813	2.0
261.22162	19.6
269.11877	1.8
277.21588	1.6
281.13788	3.8
285.16800	1.7
287.12836	2.0
289.14069	1.8
299.14908	96.9
305.13748	2.4
315.12198	2.8
315.23358	3.4
317.24689	2.9
333.13409	7.5
335.25815	100.0
351.14371	5.7
353.27054	1.8
369.15759	2.5
407.16971	5.2
414.59811	1.6
425.18091	8.1
427.19992	1.6
443.19183	11.8
467.31345	3.7
468.35220	1.6
485.32425	5.0
513.35425	4.0
514.22083	1.7
527.37335	4.5
531.36304	3.5
541.35223	15.0
545.38031	5.2
559.36304	39.0
577.37164	4.6
611.35535	2.6
621.00659	1.6
631.38202	2.7
649.36798	2.1
667.38312	12.0
685.39343	22.9
703.40417	28.8
721.41144	6.8
847.44006	2.7
930.08221	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	918.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08029	1.4
67.05157	3.4
67.05509	48.0
69.03420	3.5
69.07169	16.4
71.05003	3.0
73.02935	4.0
79.05503	33.2
81.03422	7.7
81.07063	51.2
83.04984	4.2
83.08628	15.9
85.02911	13.6
85.06570	3.3
91.03967	6.7
91.05485	31.9
93.07047	43.7
93.07603	2.8
95.01333	1.6
95.04987	9.2
95.08614	32.4
95.09216	2.4
96.26035	1.7
97.02901	8.9
97.06536	4.6
97.10180	2.2
99.00829	8.7
99.08069	2.2
103.05491	2.2
105.07040	23.2
107.04968	5.4
107.08598	26.4
109.02871	8.7
109.06550	4.4
109.10153	20.7
111.08117	5.4
115.03974	2.8
117.07008	8.1
119.08579	18.0
121.06520	4.8
121.10151	17.3
123.08070	2.7
123.11696	9.3
127.03931	5.7
128.06155	2.0
129.07021	3.6
131.08577	11.0
133.06555	2.3
133.10138	39.4
135.08066	2.5
135.11708	12.6
137.09642	1.8
143.08603	6.8
145.05035	2.5
145.06516	2.4
145.10164	9.0
147.11714	7.1
147.32605	1.9
149.13290	4.4
151.11177	10.3
157.10150	2.3
159.11725	5.6
161.09630	13.4
161.13194	4.1
163.03949	1.6
163.06094	4.5
163.14871	2.3
171.08076	2.6
171.11760	2.5
173.13274	4.4
175.14767	2.1
179.10703	6.8
187.14836	2.7
189.09155	5.4
193.12323	1.9
197.11725	3.3
199.11118	1.6
207.10210	2.7
225.11261	9.1
243.12379	3.1
243.21213	7.7
261.22134	22.4
267.15753	1.9
280.15250	1.6
281.13831	2.6
299.14917	84.5
307.15298	1.7
315.23050	3.0
317.24826	3.7
335.25815	100.0
336.26065	2.0
346.37372	1.8
351.14218	2.6
425.18176	2.6
449.30417	3.4
467.31265	2.4
485.32770	4.8
513.35632	6.3
527.37079	4.6
531.36871	4.4
541.34845	13.4
545.38324	4.0
546.05487	1.6
550.35004	1.7
559.36346	63.6
577.37225	4.0
667.38300	2.7
685.39136	8.6
703.40552	19.1
711.26080	1.8
721.41211	5.9
825.98218	1.8
862.95251	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	918.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.3
67.05160	1.4
67.05503	21.0
69.03428	1.6
69.07066	15.0
71.04993	1.6
73.02898	1.1
74.42712	0.7
77.03919	0.8
78.52772	0.6
79.05492	21.1
81.03417	18.3
81.07053	28.2
83.04973	6.6
83.08612	9.6
85.02901	8.9
85.06546	1.2
90.49974	0.6
91.03966	1.3
91.05479	31.9
93.07042	20.9
95.01325	4.7
95.04958	11.9
95.08604	16.8
97.02898	2.4
97.06531	14.9
97.10153	2.1
98.23505	1.8
99.08119	0.8
105.04528	1.2
105.07027	45.8
107.04950	9.4
107.08594	9.5
109.06513	2.4
109.10146	4.5
111.04514	0.7
111.07387	0.7
111.08048	3.3
113.06034	0.7
115.05438	1.0
116.71457	0.8
117.07012	7.7
118.85106	0.6
119.08573	26.4
121.06519	2.0
121.10143	5.7
123.04448	1.6
123.08074	2.7
123.11722	1.5
123.23485	0.7
125.09650	1.3
129.07033	3.6
131.08556	13.3
133.06505	1.2
133.10126	26.2
135.08035	1.7
135.11719	2.8
137.09669	1.4
139.07521	0.7
139.11090	0.9
142.07805	0.9
142.14186	0.6
143.08595	2.5
145.06578	1.3
145.10109	8.5
147.08069	1.7
147.11673	14.3
149.09581	5.4
149.13292	1.9
151.11226	0.9
155.08534	0.9
157.10121	5.2
159.11707	5.1
161.13298	2.4
163.11185	2.9
165.12799	1.0
165.26344	0.6
169.10147	1.1
171.11768	0.6
173.13326	1.7
175.11154	4.2
177.12819	1.5
179.14330	8.4
187.11221	1.2
187.14737	0.7
188.46910	0.7
193.12253	10.1
197.13341	0.9
211.13261	8.7
219.17471	1.1
239.17972	1.0
247.20648	0.9
257.19067	3.8
267.15900	11.2
272.44885	0.8
275.20053	39.8
276.20428	0.8
279.15891	1.7
285.16977	17.3
293.21249	2.0
327.91705	0.7
349.23749	25.9
409.89865	0.7
541.35217	49.5
542.35638	1.4
559.36292	100.0
560.36810	2.3
703.40277	3.3
910.64929	0.7
932.02777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.5
67.05502	21.0
69.03420	2.0
69.06709	1.2
69.07064	18.6
71.04982	2.6
71.45433	1.0
77.03924	0.9
79.05048	1.6
79.05492	23.5
81.02965	1.8
81.03416	26.3
81.07053	36.6
83.04977	8.2
83.08615	11.2
85.02899	13.8
85.06525	2.1
89.72983	0.9
91.03938	1.9
91.05473	41.9
93.07041	20.2
95.01310	4.4
95.04972	14.8
95.08602	16.8
97.02888	3.9
97.06530	19.0
97.10159	3.5
99.08100	1.6
103.05412	1.0
105.04543	1.7
105.07027	49.3
106.83186	0.9
107.04954	12.0
107.08588	12.0
109.06481	3.1
109.10150	5.1
111.04415	1.9
111.08073	4.2
117.07000	7.2
119.04964	1.1
119.07751	1.6
119.08579	27.4
121.06504	2.2
121.10146	6.3
123.08054	2.6
123.11702	1.5
125.09622	2.0
129.07008	6.5
131.08560	16.4
133.06471	2.5
133.10120	24.7
135.08031	1.9
135.11665	3.7
137.09586	1.3
139.07494	0.9
141.07016	2.0
142.07718	1.2
145.06467	1.4
145.10118	9.8
147.08049	1.5
147.11671	14.9
149.09610	10.2
149.13248	2.2
151.11224	1.6
155.08501	2.2
157.10091	8.5
159.11681	6.2
161.13258	2.9
163.11197	4.9
163.46866	0.8
165.09123	1.2
165.12767	2.0
169.10138	1.4
170.39700	0.8
171.11681	1.1
172.29541	1.0
173.13245	2.8
175.11176	7.2
177.12729	1.8
179.14313	7.0
187.11151	2.0
193.12244	17.5
211.13292	15.3
257.18961	4.2
259.20569	0.9
267.15900	28.0
275.20056	46.7
279.15906	1.7
285.16949	48.0
293.21060	2.1
297.72791	0.9
302.09326	0.9
349.23764	27.4
541.35205	68.5
542.35077	1.3
559.36273	100.0
560.36096	2.5
577.36914	2.7
703.40155	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	919.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.0
68.50298	0.3
69.03428	1.5
69.07077	0.4
69.58649	1.2
71.04992	0.7
71.08642	0.4
73.02908	1.9
79.05508	0.9
81.03416	1.9
81.07068	0.8
83.08646	0.7
85.02895	3.1
87.04481	0.4
87.60610	0.3
91.03958	1.7
91.05492	1.0
93.07071	0.5
95.05000	0.6
95.08637	0.9
97.02896	3.4
99.04520	0.5
101.02417	1.3
105.07040	0.5
107.08594	0.6
109.02900	0.5
109.10155	0.3
111.15971	0.3
115.13532	0.3
121.10175	0.5
127.03941	1.1
131.08594	0.5
133.10184	0.3
145.35098	0.4
147.11679	0.5
149.09692	0.6
157.10164	0.5
185.04295	0.3
193.12308	0.9
206.94159	0.3
243.08476	1.2
282.50632	0.3
283.15070	1.3
313.27161	0.3
339.17987	0.6
347.09442	2.2
365.10773	0.7
405.13690	4.0
497.30756	3.5
501.23093	7.2
501.30417	0.4
659.36267	4.4
663.28296	7.0
757.47040	2.3
919.52295	100.0
920.52649	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	919.523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.2
69.03436	1.8
69.07073	0.6
71.05003	0.4
71.08596	0.5
73.02921	1.9
79.05492	0.8
81.03423	1.6
81.07076	1.8
83.08665	0.5
85.02908	3.5
91.03969	1.7
91.05481	1.1
93.07053	0.7
95.08628	1.0
97.02905	3.5
99.04471	0.5
101.02386	1.0
105.07034	0.7
105.69821	0.4
109.10196	0.7
115.03928	0.4
121.10105	0.6
126.96737	0.4
127.03920	0.7
131.08588	0.5
133.10184	0.4
147.11743	0.6
164.39120	0.4
185.04321	0.7
193.12334	0.6
225.14868	0.6
243.08394	1.0
270.47250	0.4
283.15259	1.4
297.41785	0.4
337.27383	0.4
339.17902	0.4
347.09628	1.7
405.13666	3.7
497.30994	4.0
501.23077	5.7
659.36163	4.2
663.28394	6.7
757.47229	1.8
792.80206	0.4
919.52222	100.0
920.52325	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	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.1
67.05506	82.0
69.03426	9.8
69.07069	35.3
71.01344	1.5
71.04996	7.3
71.08620	1.1
73.02919	6.6
77.03939	1.2
77.39056	1.0
79.05495	69.7
80.06316	1.1
81.03423	15.5
81.07057	100.0
83.04977	13.2
83.08621	20.6
85.02910	23.6
85.06542	5.3
87.04478	1.7
91.03960	10.7
91.05481	64.7
93.07047	76.5
95.04968	20.1
95.08604	41.2
97.02891	14.2
97.06528	18.3
97.10176	4.4
99.04452	4.7
99.08079	4.7
103.03924	1.2
103.05474	1.3
105.04519	4.1
105.07029	50.1
107.04952	8.1
107.08593	42.2
109.02878	3.1
109.06536	7.5
109.10155	14.9
111.04417	1.6
111.08092	8.1
113.09601	1.4
115.05422	2.4
116.04700	2.3
117.07015	24.6
119.08587	31.2
121.06478	6.3
121.10143	22.8
123.08070	6.0
123.11720	6.9
125.09632	4.2
127.03925	6.4
128.06177	1.8
129.05484	7.1
129.07016	7.9
130.07793	1.8
131.08568	28.7
133.06552	2.0
133.10132	38.0
135.08072	5.1
135.11702	19.4
137.09601	2.9
139.11206	1.5
141.07019	1.7
143.06981	1.2
143.08560	7.9
144.09306	1.1
145.04961	6.9
145.06509	1.0
145.10115	16.8
147.08015	3.0
147.11691	22.9
149.09607	9.9
149.13268	18.3
151.11174	2.5
153.09120	1.3
155.08551	2.3
157.05070	1.2
157.10100	7.9
159.11708	23.2
161.09648	2.9
161.13255	11.3
163.06009	4.2
163.11176	6.1
163.14809	1.3
169.10136	3.5
171.10265	1.5
171.11682	9.0
173.04393	1.4
173.09610	1.5
173.12004	1.0
173.13272	6.9
175.11156	2.3
175.14827	3.5
177.12732	7.1
179.14363	2.2
183.11693	4.6
184.07329	2.2
185.13272	4.6
187.14825	1.9
189.12744	2.0
194.63553	1.1
195.13795	19.9
197.13298	1.5
199.14818	1.9
207.11887	1.1
207.13795	2.3
209.13387	1.6
213.14749	2.0
213.16528	1.5
217.15913	1.5
227.12747	3.5
229.14326	1.7
237.16298	1.1
241.19785	6.4
247.20859	1.3
251.16425	1.6
253.14310	1.1
253.18062	1.5
257.18988	6.5
259.20569	25.0
261.22205	1.1
267.15872	5.3
269.17477	85.9
275.20035	17.8
280.16785	1.5
281.17462	9.6
283.15417	2.3
291.19370	2.0
293.17581	2.5
293.21027	2.1
301.16422	4.5
303.15759	1.1
315.23181	2.9
331.22672	2.1
333.24252	24.3
334.27957	1.1
335.25687	6.9
339.17966	2.0
349.23773	15.6
393.09024	1.2
395.20673	1.6
413.21582	2.1
423.27069	2.2
423.32272	1.8
435.31750	2.4
441.34018	1.4
445.29330	2.3
446.30392	12.5
449.29117	1.4
453.33749	1.5
463.30530	61.0
464.31018	3.6
475.30676	15.8
497.36383	1.8
509.36279	1.3
515.37421	11.8
525.35657	1.7
527.29260	1.5
527.37335	28.9
533.38269	3.9
543.36761	23.2
545.38293	12.0
559.36102	2.0
561.37610	8.3
607.33844	2.0
671.41052	2.0
920.46918	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	920.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.2
67.05505	36.1
69.03436	3.9
69.07069	12.0
71.04973	3.0
73.02913	3.2
77.03918	1.2
79.05493	40.3
81.03416	33.8
81.07059	38.6
82.50551	0.9
83.04977	10.2
83.08621	15.8
85.02905	18.4
85.06541	3.0
91.03955	4.8
91.05479	50.4
93.07045	40.8
95.04973	17.6
95.08017	1.6
95.08606	25.6
97.02890	4.7
97.06538	6.0
97.10165	5.1
98.22607	1.8
99.08109	1.7
103.05481	1.6
105.04502	2.7
105.07029	55.6
106.51592	0.8
107.04961	5.0
107.08595	23.1
109.06528	4.7
109.10157	10.5
111.04456	1.0
111.08066	6.6
113.05985	1.1
113.09610	1.1
115.05462	2.5
116.06184	1.0
117.07023	14.3
119.08580	44.4
121.06503	1.4
121.10142	20.3
123.08064	2.2
123.11707	3.2
125.09653	2.0
127.03895	1.3
128.06187	2.5
129.07001	14.5
131.08566	25.9
133.06514	1.8
133.10126	36.1
135.08058	2.3
135.11696	11.6
137.09615	2.2
141.07045	1.2
142.07803	2.6
143.08577	7.8
144.09352	0.9
145.04973	1.9
145.10120	18.4
147.08047	2.4
147.11684	35.4
149.09653	4.8
149.13229	10.1
151.11212	1.9
155.08578	2.8
157.10120	15.7
159.08047	1.0
159.11681	13.3
161.13252	18.8
161.14517	1.4
163.06013	1.6
163.11186	3.1
163.14847	1.6
165.12767	2.2
167.08504	1.1
169.10118	3.0
171.10294	1.5
171.11670	9.2
173.09572	1.7
173.13264	8.1
175.11186	10.2
175.14825	7.0
177.12735	0.9
179.14299	1.0
181.10063	1.2
183.11673	2.5
185.13260	7.9
187.11211	0.9
187.13179	0.8
187.14841	2.2
189.11168	1.2
189.12723	1.7
191.10628	1.0
193.12238	23.3
195.11723	1.0
197.13271	2.8
199.14822	4.9
209.13258	1.3
211.13268	27.5
213.16452	2.3
217.19669	0.9
223.14885	1.0
227.12817	3.5
229.14375	2.5
231.17233	1.1
231.21089	5.0
235.14886	1.1
241.19511	20.2
257.19073	2.5
259.20572	62.0
261.22250	1.2
267.15942	13.2
269.17377	2.5
271.20541	1.0
275.20099	2.3
277.21594	3.0
283.15335	3.1
283.20328	1.3
285.16959	40.9
297.22110	2.0
299.23849	1.8
301.21561	1.0
315.19870	1.1
315.23126	6.1
333.24237	44.8
335.25974	1.0
349.23807	1.0
389.27188	1.2
403.24872	1.0
415.29852	2.0
421.25906	1.9
423.32697	0.9
433.31104	7.0
449.29175	1.5
451.32114	7.0
463.30902	1.4
469.33084	5.9
471.31723	1.1
487.33942	1.0
507.34708	2.9
515.37323	4.5
525.35803	35.6
543.36816	100.0
544.36908	1.8
561.38013	5.1
633.38245	1.5
651.38824	1.3
669.39453	2.4
687.40491	3.6
719.99872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.0
67.05513	50.1
68.05840	0.6
69.03434	5.4
69.07079	12.7
69.19826	1.3
69.20231	2.5
71.01360	1.3
71.05012	3.4
73.02924	7.3
77.03928	1.2
79.05501	40.1
80.06284	1.4
81.03429	14.1
81.07064	46.8
82.04218	2.8
83.04987	10.1
83.08627	10.9
84.02129	0.7
84.44765	0.5
85.02915	14.9
85.06541	2.3
87.04500	0.7
91.03973	9.4
91.05489	28.1
93.07056	39.4
94.07832	1.2
95.04977	15.1
95.08617	33.7
96.04467	1.1
96.05731	0.7
97.02900	9.8
97.06532	6.3
97.10173	12.5
98.07328	4.7
98.22686	1.3
99.04443	1.1
99.08090	2.3
101.06048	0.6
103.03961	0.9
103.05484	1.0
105.04498	1.9
105.07038	20.4
107.04960	4.3
107.08604	25.5
109.06529	4.6
109.10172	17.1
110.07301	0.5
111.04447	1.4
111.08091	5.2
113.06024	1.2
115.03951	0.7
115.05448	1.1
116.04726	12.0
116.06177	0.5
117.07030	8.3
119.07746	0.8
119.08597	16.8
120.09365	0.7
121.06512	1.7
121.10161	19.2
123.08067	4.3
123.11719	4.9
125.09647	13.9
126.10356	0.8
127.03937	3.1
127.07545	0.7
127.11219	0.8
128.06219	0.9
129.05493	29.8
129.06920	4.0
131.08582	13.0
133.06496	0.6
133.09181	0.9
133.10153	14.1
135.08070	3.3
135.10754	1.0
135.11713	13.8
136.08838	0.8
137.09610	2.1
137.13257	1.9
139.11205	0.7
142.07794	1.0
143.07050	7.9
143.08549	1.5
145.04976	4.9
145.10143	9.5
147.08109	1.4
147.11699	11.9
149.09668	3.7
149.13266	4.9
151.11151	1.9
153.09119	1.7
153.12718	1.0
155.08606	0.9
155.10722	0.6
157.08618	14.3
157.10132	5.5
157.74756	0.6
159.11755	5.8
161.13290	4.5
162.07735	0.7
163.06020	3.6
163.11220	3.9
163.14847	2.3
165.12753	1.3
169.10153	0.6
171.10185	5.0
171.11696	1.7
173.09589	0.9
173.11752	1.5
173.13269	4.9
175.11214	3.5
175.14833	1.4
177.12720	0.9
177.16380	0.8
179.14308	0.8
181.12314	1.1
183.11697	1.1
185.11771	1.4
185.13295	1.6
187.14876	3.1
189.11234	7.5
189.12791	0.7
191.10687	1.2
191.14377	0.7
193.12265	9.5
195.13899	0.8
199.09642	0.8
199.11755	0.6
199.13251	3.9
199.14912	1.1
200.14119	2.7
201.12735	0.5
201.16409	1.0
205.15913	0.7
209.11761	2.0
210.12556	0.5
211.13257	6.6
211.15021	0.6
212.26508	0.6
213.14804	0.7
215.17998	0.7
217.14415	1.3
219.17464	0.7
227.12805	9.9
229.14211	2.7
231.21126	0.7
237.14767	1.0
241.19453	0.9
243.15993	0.7
243.21085	3.2
249.14755	0.7
249.21994	0.7
251.20209	0.6
255.15935	1.7
259.20642	3.2
261.19138	0.7
261.22162	11.2
267.15918	7.1
269.17572	1.6
275.20096	0.6
277.21695	4.3
283.15359	3.2
285.16992	3.4
299.14969	1.0
301.16486	100.0
310.18829	0.6
315.23187	1.2
317.24771	1.0
333.24301	2.0
335.25842	56.9
336.26202	1.0
351.25229	2.8
389.26886	1.1
415.38675	0.6
433.30533	0.9
435.32495	1.6
451.32065	0.8
469.33273	1.1
487.34439	1.0
489.35712	1.4
509.36526	0.9
525.35895	0.7
527.37402	7.0
543.36639	3.3
544.37445	1.3
545.39069	2.8
561.37909	55.6
562.38263	1.4
579.38751	2.2
586.49359	0.7
921.44958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.0
67.05505	38.8
69.03435	3.6
69.07061	11.5
70.50429	1.8
71.05004	6.0
73.02930	2.6
77.03948	1.1
79.05494	43.3
81.03419	37.5
81.07056	43.4
83.04984	11.3
83.08617	17.0
85.02905	20.6
85.06553	3.2
91.03967	4.6
91.05479	55.8
93.07043	44.7
95.04970	23.3
95.08601	24.0
97.02882	7.2
97.06522	4.7
97.10182	6.4
99.08101	2.0
105.04536	3.1
105.07031	50.0
107.04929	6.2
107.08588	23.5
109.06525	6.0
109.10147	8.6
111.04471	2.7
111.08083	7.9
113.06024	1.7
115.05447	2.7
117.07008	12.8
119.08581	42.4
121.06529	2.7
121.10139	21.2
123.08086	3.1
123.11728	2.8
125.09663	3.4
127.03905	1.8
128.06230	1.9
129.05576	1.2
129.06996	13.3
130.07806	1.3
131.08563	26.4
133.06514	2.4
133.10132	33.4
135.08102	2.2
135.11670	10.6
137.09644	2.4
139.11240	1.1
141.03633	1.1
141.07030	1.0
142.07796	3.6
143.08559	8.8
145.05005	2.5
145.06560	0.9
145.10129	16.4
147.08049	2.4
147.11684	30.4
149.09613	7.8
149.13248	7.6
151.11298	1.0
153.12825	0.9
155.08574	1.8
156.09233	0.8
157.10115	16.4
157.98659	0.9
159.11696	13.8
161.09659	1.4
161.13254	14.6
163.06053	1.9
163.11166	4.2
163.14882	1.4
165.12798	2.6
169.10088	3.4
171.11679	7.6
173.09714	1.3
173.13222	8.3
175.11212	9.9
175.14752	5.9
181.10002	1.6
181.12288	1.0
183.11740	2.6
185.13254	6.9
187.11307	1.1
187.14876	3.1
189.11238	2.3
189.12782	1.4
189.16402	1.0
191.10696	1.7
193.12239	28.4
195.11728	1.8
195.13647	1.3
197.13348	1.9
199.14853	5.5
203.14430	1.3
211.13274	36.6
213.16389	1.7
215.17992	1.2
227.12674	6.8
229.14426	2.8
231.17511	1.4
231.21098	3.4
241.19548	16.3
257.19104	2.0
259.20572	46.9
261.22168	1.4
263.42194	1.0
265.14398	1.4
267.15912	18.2
269.17487	4.7
271.20566	1.2
275.20099	3.8
277.21747	2.6
283.15454	3.3
285.16974	46.6
293.18747	1.2
299.23694	1.4
315.23224	4.9
331.22678	1.4
333.24234	39.3
335.25821	2.5
349.23749	3.2
351.25388	1.3
405.31628	1.0
415.29742	2.4
423.32449	1.7
433.31000	6.8
449.29068	1.5
451.32074	7.0
463.30609	1.2
469.33121	3.7
487.34381	1.1
507.34485	3.0
515.37000	3.4
525.35803	32.2
543.36829	100.0
544.37054	1.8
561.38013	7.3
631.68237	1.0
651.38678	2.6
669.39276	1.7
687.40717	2.5
793.73889	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	920.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.4
66.04738	0.6
67.05505	60.9
69.03433	5.8
69.07070	15.6
70.04205	1.1
71.01360	0.8
71.04996	4.0
73.02916	8.8
77.03922	1.6
79.05493	51.6
80.06265	1.6
81.03419	16.4
81.03899	0.9
81.07056	57.3
82.04192	3.8
83.01336	0.7
83.04980	11.1
83.08620	12.5
85.02901	20.0
85.06548	2.5
87.04475	1.4
91.03955	11.3
91.05479	34.2
93.07043	48.4
95.04968	16.9
95.08607	40.8
96.04498	0.6
96.05695	0.7
97.02898	13.1
97.06526	8.2
97.10161	12.1
98.07326	5.4
98.22678	1.1
98.84088	0.6
99.04443	1.3
99.08096	2.0
101.02362	0.7
101.06000	1.3
103.05456	1.5
105.04517	2.3
105.07030	24.3
105.87122	0.7
107.04965	4.3
107.08591	30.8
109.02912	1.3
109.06528	3.7
109.10158	21.7
109.10889	1.3
111.04437	1.9
111.08080	5.3
113.06025	1.1
113.09641	0.8
115.03940	0.9
115.05469	1.3
116.04708	11.0
117.07012	9.8
119.08577	20.0
121.06494	1.7
121.10146	22.7
123.08082	4.1
123.11719	6.0
125.09624	13.4
125.10493	0.9
127.03945	4.3
127.07623	0.6
127.11198	1.7
129.05484	25.6
129.06934	5.9
130.07785	1.2
131.08572	18.6
133.06514	0.7
133.10127	16.2
135.08066	2.7
135.11691	15.6
136.12497	0.9
137.09598	2.2
137.13239	1.5
139.11209	0.9
142.07756	1.0
143.07022	6.0
143.08569	2.1
143.10623	0.6
145.04979	4.2
145.10130	11.9
147.08107	0.9
147.11679	12.7
149.09628	2.8
149.13249	6.3
151.11191	1.7
151.14890	0.7
153.09055	0.7
153.12772	1.1
155.08559	1.4
155.10687	0.7
157.08621	11.7
157.10138	5.6
159.11678	7.1
159.12744	0.7
161.13242	5.9
163.06023	4.5
163.11180	4.8
163.14786	3.5
164.12000	1.1
165.12801	1.9
169.10135	1.6
171.06552	1.2
171.10178	3.2
171.11702	1.8
173.04489	0.8
173.09674	1.5
173.11728	1.7
173.13298	6.3
175.11197	5.1
175.14845	2.2
177.12770	0.9
177.16350	0.9
181.12216	0.9
183.11766	1.4
185.11752	2.4
185.13286	1.6
187.14868	2.4
189.11243	5.2
189.12743	1.1
191.10686	1.7
193.12222	9.1
195.11775	0.9
195.13812	0.7
197.13347	0.7
199.13310	3.0
199.14755	1.5
200.14124	1.9
201.16467	1.0
209.11760	2.8
211.13246	6.8
211.14862	0.8
219.13881	0.8
227.12741	9.6
229.14275	4.1
231.20982	0.8
243.16101	0.7
243.21103	4.4
255.15990	2.2
259.20621	2.7
261.22147	12.5
267.15921	6.5
269.17435	1.3
275.20078	0.7
277.21649	6.3
279.23032	0.9
283.15411	5.0
285.17007	3.1
293.21109	1.1
297.22296	0.7
299.23660	0.8
301.16455	60.9
302.16910	0.7
315.23233	1.7
317.24747	1.7
333.24011	1.4
335.25806	74.8
336.26193	1.5
351.25366	1.5
433.29764	1.0
451.31985	1.4
463.30829	0.8
469.33160	1.3
489.35440	1.0
507.33304	0.8
509.35687	0.7
525.35938	1.7
527.37573	7.4
543.36749	9.3
544.37640	1.1
545.38794	4.1
561.37836	100.0
562.37817	2.0
579.38818	1.9
637.14093	0.7
687.40210	0.7
723.42358	1.0
921.44568	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	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.7
67.05500	59.6
69.03423	5.7
69.07063	21.6
71.05000	4.5
71.08622	3.2
73.02900	2.7
77.03902	1.0
79.05485	42.3
81.03416	15.1
81.07050	80.5
82.08401	0.8
83.04978	7.4
83.08614	18.1
85.02905	10.7
85.06529	3.9
91.03950	4.1
91.05476	34.4
91.30508	0.9
93.07042	58.2
94.07361	0.8
95.04963	13.2
95.08017	1.7
95.08600	28.6
97.02890	7.4
97.06523	14.7
97.10161	5.9
98.22710	2.0
99.04472	1.6
99.08083	5.9
105.04499	2.1
105.06340	1.8
105.07022	25.7
107.04380	0.8
107.04972	6.9
107.08587	38.9
109.02884	2.2
109.06495	4.9
109.10151	9.6
111.04440	1.1
111.08094	5.6
115.05460	1.2
117.07009	12.6
119.08567	17.0
120.08907	0.8
121.06502	3.3
121.10139	20.7
123.08070	2.3
123.11693	4.1
125.09616	5.4
127.03890	3.6
129.05502	0.9
129.06999	3.4
131.08566	14.4
133.06532	1.2
133.10118	18.4
133.11050	0.8
135.08038	3.4
135.11676	13.6
137.09605	1.8
141.06920	1.2
143.08537	3.6
145.04971	2.3
145.10091	6.8
147.07996	1.6
147.11656	8.0
149.09595	8.2
149.13248	21.1
151.11176	4.7
153.09163	1.0
156.10902	1.1
157.10095	5.1
159.11690	16.1
161.09598	1.1
161.13239	3.1
163.06049	1.2
163.11182	5.9
163.14874	1.2
169.10117	1.7
171.11696	2.4
173.04419	2.2
173.13239	2.4
175.11145	1.7
177.12749	6.5
178.10695	1.0
179.14256	7.8
183.11615	2.0
185.13277	1.4
189.11209	2.2
193.12204	3.4
193.96252	0.9
195.13782	9.3
211.13211	4.3
227.12775	6.1
239.17885	1.0
241.19218	1.1
253.14314	1.3
255.15837	3.8
257.19006	4.9
259.20505	2.3
267.15903	5.4
269.17450	66.4
275.17068	1.1
275.20050	18.6
277.21542	6.0
285.16992	6.3
331.22446	2.2
333.24240	1.8
349.23712	18.7
351.25372	6.2
365.23209	1.4
413.21457	1.1
423.27319	3.0
433.30417	1.0
439.26825	2.4
445.29379	2.7
447.31152	1.5
449.29004	23.9
463.30508	100.0
464.30814	1.2
479.30368	1.0
503.33450	1.2
515.36823	1.1
525.35535	3.3
543.36768	67.8
544.36859	1.4
546.20404	1.1
559.35181	1.1
561.37830	29.3
583.31201	1.0
589.33539	1.4
593.33563	1.3
607.34613	6.9
640.87439	1.2
687.40790	1.7
705.41620	1.9
709.28546	1.0
710.91498	1.1
754.29828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	5.3
67.05503	70.6
69.03419	6.5
69.06711	2.3
69.07071	33.2
71.04993	5.1
73.02908	3.7
77.03938	2.5
79.05494	58.4
81.03419	15.7
81.07056	88.5
83.04982	10.4
83.08624	20.0
83.09113	2.1
85.02897	11.7
85.06541	4.4
87.04487	1.2
87.36002	1.2
91.03953	4.1
91.05479	38.3
93.07042	71.0
95.04971	15.1
95.08598	30.0
97.02885	9.7
97.06536	19.8
97.10176	7.1
98.23428	3.5
99.04453	2.8
99.08099	3.6
105.04540	3.1
105.07028	29.5
107.04953	7.1
107.08587	46.5
109.02905	1.6
109.06547	4.8
109.10152	8.4
111.08102	7.6
113.09597	2.9
115.04002	1.5
115.05414	1.3
117.07020	16.5
119.08569	22.4
121.06498	4.5
121.10136	24.6
123.08047	3.6
123.11703	3.9
125.09654	7.1
127.03930	4.1
128.06229	1.7
129.07018	5.3
131.07663	1.7
131.08568	22.1
133.10124	25.6
135.08006	4.0
135.11674	15.1
137.09637	3.2
139.11166	1.6
143.08569	3.7
145.04929	1.9
145.10158	13.7
147.11696	13.2
148.58990	1.4
149.09622	9.2
149.13269	30.3
151.11159	2.5
155.08560	3.0
157.10129	5.3
159.08075	1.4
159.11697	21.1
161.13274	4.9
163.06064	1.8
163.11177	5.8
165.12769	1.5
169.10147	2.5
171.11703	4.2
173.04410	3.3
173.11818	1.5
173.13283	5.2
175.11244	1.7
177.12779	7.7
179.14365	2.7
183.11758	1.8
185.13319	1.4
186.56042	1.3
189.11325	2.7
191.14275	1.6
193.12314	2.7
195.13786	9.5
197.13249	2.5
211.13293	4.4
213.14789	2.5
227.12718	9.7
229.14284	2.7
239.17967	2.2
247.20679	1.9
251.16432	2.3
255.15903	3.0
257.18997	6.0
259.20529	4.2
267.15854	4.1
269.17474	90.3
275.20059	25.1
283.15497	1.7
285.17020	6.6
293.21078	2.2
331.22821	3.2
333.24127	4.1
349.23770	21.8
365.23508	1.6
367.24869	1.9
377.20047	1.6
413.21878	1.5
423.27365	4.4
439.26901	6.7
445.29495	3.0
447.30811	1.9
449.28995	25.4
463.30542	100.0
464.30878	2.9
471.73251	1.3
515.37244	2.1
517.34857	2.7
525.35785	6.5
543.36816	84.8
544.37286	2.8
561.37860	18.1
583.31073	2.4
607.34436	4.2
687.41016	3.0
705.41309	3.6
763.81378	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	920.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.0
67.05505	56.1
69.03426	3.1
69.07069	9.7
69.20644	2.7
71.04992	17.9
73.02924	2.8
73.06550	0.9
77.03919	0.7
79.05492	27.4
81.03414	1.4
81.07054	80.6
83.04981	4.2
83.08618	6.7
85.02905	10.5
85.06535	6.9
85.06992	0.7
87.04486	0.7
91.03955	6.2
91.05474	24.0
93.07040	33.2
95.04958	3.9
95.08604	22.4
96.04514	0.9
97.02889	6.0
97.06517	4.0
97.10129	2.5
99.04491	0.9
99.08102	1.0
105.04515	1.7
105.07022	14.4
107.08591	19.8
109.06528	2.1
109.10158	13.0
111.08074	2.8
115.03873	0.5
117.04141	0.5
117.06992	5.0
119.08568	7.8
121.06432	0.5
121.10145	16.2
123.08099	1.1
123.11702	11.4
123.12522	0.9
125.09623	1.4
127.03918	2.1
129.07014	1.5
131.08562	6.9
133.10126	17.6
135.11691	10.0
137.13257	0.5
139.11172	0.5
143.08536	0.6
145.04932	3.2
145.10127	4.8
147.11681	4.1
149.09605	0.7
149.13266	7.0
151.11163	5.7
153.12727	1.1
157.10143	1.4
159.11693	6.9
161.13235	3.2
163.06021	2.7
163.14841	1.2
165.12711	0.5
169.12329	1.3
171.11745	0.7
173.13223	2.8
175.14827	1.1
177.12798	1.8
177.16460	0.6
179.14346	0.7
183.11598	0.7
183.13770	3.1
185.13298	1.3
187.13332	3.3
187.14804	1.0
189.16412	0.8
195.13869	1.8
199.14874	0.5
201.14877	1.1
227.16364	2.4
229.14233	0.9
233.19171	0.7
243.16060	1.4
243.21111	0.6
253.18030	1.0
257.17490	1.6
259.20749	0.7
261.22141	3.0
269.17456	6.1
273.21927	0.5
289.21793	0.7
301.20084	18.5
317.24722	0.7
335.25781	18.8
393.31622	1.3
395.26651	0.4
399.24139	0.7
411.32700	1.0
419.33197	0.8
437.34247	1.7
445.24329	1.4
455.35190	0.9
467.44397	0.5
475.35535	0.7
485.36203	3.6
503.37302	74.7
504.37656	1.8
511.37744	2.1
517.38708	2.8
529.38885	28.3
530.39233	0.7
547.39990	1.7
561.41486	100.0
562.41876	1.9
673.43457	0.5
705.45459	2.2
733.34503	0.5
920.47253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.9
67.05507	48.5
69.03426	2.0
69.07069	9.7
71.04996	16.8
73.02911	2.7
73.06541	0.7
75.95203	0.6
77.03928	1.0
78.17527	0.5
79.05495	27.7
81.03418	2.0
81.07057	71.8
83.04980	3.6
83.08618	7.1
85.02907	9.7
85.06530	7.1
86.90134	0.7
87.04430	0.8
91.03970	5.0
91.05479	22.1
93.07047	32.4
95.04990	3.8
95.08605	24.0
97.02889	4.5
97.06518	3.5
97.10174	2.4
98.22699	1.5
99.04483	0.7
99.08092	1.0
105.04524	1.7
105.07034	14.0
107.08597	18.0
109.06523	2.0
109.10156	12.9
111.08073	2.1
117.07028	4.2
119.08579	8.5
121.09293	0.8
121.10150	14.8
123.08127	0.7
123.11702	12.1
125.09664	1.3
127.03933	2.3
127.11158	0.5
129.07068	0.7
131.08572	7.5
133.10132	16.8
133.11143	1.0
135.11688	9.4
135.12627	0.7
137.09644	0.9
137.13287	0.6
143.08597	1.0
145.04944	2.6
145.10094	4.1
147.11668	3.8
149.13232	5.2
151.11176	6.7
157.10165	0.8
159.11685	6.1
161.13260	3.1
163.06023	2.5
163.14890	1.1
169.12193	0.7
169.31549	0.6
173.04271	0.6
173.11835	1.0
173.13286	3.3
175.14856	1.2
176.89273	0.6
177.12801	2.1
182.78552	0.6
183.13817	2.3
187.13287	3.4
187.14738	0.9
195.13803	1.9
199.14844	0.9
200.19432	0.6
211.90193	0.6
227.12553	0.6
227.16469	1.9
229.14380	1.3
243.21149	0.7
253.18102	1.0
257.17532	1.3
259.20694	0.7
261.22150	2.8
269.17459	5.2
285.16980	0.8
301.20059	14.6
335.25803	19.8
393.31491	0.8
411.32605	1.1
437.34052	1.6
455.35358	0.6
485.36487	3.3
503.37320	67.6
504.37524	2.0
511.37872	1.8
517.38770	3.3
522.72589	0.6
529.30756	1.2
529.38892	24.0
547.39734	1.2
561.41504	100.0
562.42139	3.1
673.42529	1.2
691.44470	0.8
705.45154	2.0
920.48151	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	923.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.2
69.03436	3.1
71.05005	1.6
71.33763	0.4
73.02925	2.4
79.05504	1.9
81.03424	3.7
81.07072	1.8
83.08650	0.8
85.02899	5.0
85.06555	0.4
85.81532	0.4
86.75555	0.4
87.04459	0.5
91.03957	2.6
91.05476	2.2
93.07041	1.8
95.04981	1.3
95.08643	0.9
97.02887	4.1
97.06555	0.6
99.04465	0.6
99.31516	0.4
101.02402	1.1
103.03943	0.4
105.07066	1.5
109.02896	0.8
116.98706	0.4
119.08631	1.2
120.61277	0.4
121.06553	0.4
121.10178	1.6
127.03970	1.3
129.07051	0.6
131.08612	1.4
133.10176	1.3
134.96721	0.4
147.11694	0.8
149.09691	1.4
157.10112	1.0
175.11243	0.9
193.12221	1.9
197.94223	0.4
203.05325	0.5
225.14908	1.0
243.08548	1.6
244.28242	0.4
267.16101	0.6
269.12527	0.5
283.15222	4.0
290.16415	0.4
339.17996	1.5
347.09521	2.3
365.10815	1.1
405.13672	5.4
469.20264	0.7
501.23056	15.4
599.34137	0.7
631.26038	0.5
663.28339	18.7
751.76599	0.5
761.39453	3.3
826.06927	0.5
867.67480	0.5
923.44550	100.0
924.44830	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	925.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	6.8
69.03445	4.8
69.07067	2.5
71.01373	2.0
71.43818	1.6
73.02932	5.3
78.97585	1.8
79.05517	7.1
80.01619	1.6
81.03421	3.2
81.07049	9.2
85.02913	10.3
91.03973	7.8
91.05509	4.3
91.56046	1.6
93.07049	5.4
95.04955	1.8
95.08620	4.1
97.02872	10.0
101.02408	3.7
102.11707	1.8
105.07036	2.3
107.08598	2.5
109.10178	2.5
119.08554	2.1
127.03962	2.8
145.04980	2.9
147.11755	3.3
148.47849	1.6
149.13280	3.0
159.11739	2.3
171.11755	1.8
185.04239	1.8
207.93567	1.7
210.80814	1.7
217.96315	1.6
243.08368	3.2
247.13182	2.1
301.08932	2.2
347.09415	8.6
363.08997	3.4
405.13776	10.5
453.20862	13.3
465.21161	7.7
515.29572	1.9
533.22095	2.5
615.26385	18.7
627.25928	10.6
677.35449	6.1
681.33887	2.5
705.34332	2.1
720.40942	2.1
767.37469	1.9
781.39661	3.6
782.40491	2.8
809.39813	2.6
810.40179	4.6
811.39636	2.4
839.40363	100.0
840.41394	2.8
879.46826	28.3
907.46307	10.8
908.45581	2.4
925.47491	90.2
926.46283	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	925.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.9
69.03438	2.6
69.07092	0.7
73.02928	2.7
79.05520	2.0
81.03445	2.0
81.07072	3.0
83.04994	0.7
85.02918	4.6
87.00401	0.7
91.03973	3.0
91.05504	2.9
93.07063	3.7
95.04964	0.9
95.08609	1.4
97.02903	6.0
98.23029	1.1
99.04471	1.3
101.02400	1.6
104.29637	0.7
105.07027	1.8
107.08641	2.1
109.02882	1.1
117.07060	0.9
119.08607	2.6
121.10197	1.7
127.03987	1.9
129.07065	0.9
133.10153	1.4
147.11766	0.9
157.10173	1.2
176.68301	0.7
185.04234	1.4
236.85690	0.7
243.08539	2.6
267.09109	0.9
281.02292	0.7
285.10031	1.0
347.09534	4.3
363.09171	1.1
365.10675	1.0
382.02930	0.8
405.13708	7.0
466.05478	0.8
469.20374	4.6
517.19073	0.9
535.28833	4.2
557.94946	0.9
631.25549	6.3
689.96912	0.9
697.33978	4.0
701.88000	0.8
703.28656	0.9
763.42407	1.6
851.96381	0.9
875.34442	1.7
925.47668	100.0
926.48065	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	925.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68619	0.5
67.05511	2.0
68.20367	0.5
69.03436	2.8
71.01368	0.5
73.02917	2.8
79.05507	1.8
81.03419	2.4
81.07076	2.4
83.05001	0.7
83.08633	1.0
85.02908	5.0
91.03948	2.3
91.05500	2.2
93.07040	2.7
95.04979	0.8
95.08629	1.4
97.02895	4.6
101.02381	1.2
105.00100	0.5
105.07060	1.6
106.89871	0.5
107.08640	0.9
109.02873	0.7
111.40499	0.5
116.05810	0.4
117.07070	0.6
119.08612	1.0
121.10164	1.1
122.14127	0.5
127.03953	1.3
131.08646	0.8
133.10123	1.2
135.11678	0.5
147.11644	0.5
157.10120	0.9
175.11238	0.6
185.04297	1.0
186.49274	0.5
193.12354	0.7
203.05472	0.6
206.02518	0.5
211.13504	0.9
243.08447	2.2
267.09280	0.7
269.10452	0.6
307.15085	0.6
315.10535	0.5
347.09512	2.6
363.08829	0.8
365.10580	1.1
405.13641	5.4
463.14417	0.9
469.20554	6.6
535.28619	3.1
631.26001	6.3
697.34357	2.2
703.28326	0.6
710.50562	0.6
773.35767	0.6
848.56183	0.5
875.34454	1.8
925.47620	100.0
926.48901	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	925.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.3
67.12701	0.5
69.03438	1.8
69.07086	0.9
69.55064	0.4
71.01335	0.6
71.05006	0.6
73.02927	2.6
79.05513	2.0
81.03443	2.0
81.07065	2.0
85.02912	3.7
91.03954	2.3
91.05520	1.3
93.07063	1.9
95.04995	0.7
95.08647	1.4
97.02905	3.3
98.23527	0.8
98.97646	0.5
99.04468	0.8
100.88836	0.5
101.02424	1.6
102.21700	0.5
105.07068	0.5
107.08602	0.9
109.02900	0.6
109.10184	0.7
117.07043	0.6
119.08624	0.6
121.10177	1.0
126.00179	0.4
127.03923	2.1
129.05482	0.9
131.08594	0.6
147.11755	0.5
157.04813	1.0
169.04863	0.5
185.04181	2.9
201.03699	2.9
203.05328	1.5
227.05334	0.9
243.08539	1.6
257.06381	1.2
259.08044	1.1
301.08932	4.2
315.10583	0.9
319.10129	1.6
329.08496	1.0
335.25830	0.8
347.09525	9.6
363.08945	4.7
365.10614	1.0
383.16968	0.8
385.18448	2.3
405.13635	5.4
463.14285	10.6
477.16040	1.6
489.15805	0.9
503.17560	1.2
519.21564	0.7
519.29468	4.1
531.20648	0.7
533.22375	0.7
535.16602	3.2
535.29150	0.6
545.22040	1.6
547.23541	5.7
549.17645	0.8
577.29932	1.2
579.31726	0.8
591.22803	1.6
615.67126	0.5
619.25891	1.2
629.24115	1.0
631.26044	1.2
645.26892	0.9
647.24750	0.7
651.30273	0.6
661.39435	0.7
671.28394	1.1
672.30267	0.6
675.31873	0.8
681.34680	10.7
691.39575	0.6
697.33582	1.4
711.31488	0.6
723.38818	2.6
740.36121	6.0
753.36511	4.0
767.38879	1.0
781.39954	1.5
795.40808	1.2
823.44312	3.9
824.45355	3.0
839.42023	0.9
841.44238	0.8
853.44415	0.6
865.46167	1.3
879.46008	0.6
907.46747	2.7
908.47217	1.0
909.52905	0.6
925.47528	100.0
926.47845	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	925.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74943	0.4
67.05506	2.8
69.03426	2.6
69.07073	0.8
71.01378	0.6
71.05021	0.4
73.02927	3.0
74.96499	0.3
79.05513	1.5
81.03418	2.1
81.07068	2.2
81.23183	0.3
82.47672	0.3
83.05006	0.4
83.08664	0.9
85.02917	4.6
91.03964	3.3
91.04420	0.3
91.05520	1.0
93.07082	1.5
95.01125	0.3
95.08610	1.8
95.89325	0.3
97.02912	3.8
99.04491	0.8
101.02398	1.7
103.03957	0.4
105.07044	0.8
107.08606	0.7
109.02925	0.8
109.10165	0.6
115.03989	0.7
119.08673	0.5
121.10172	0.7
125.02142	0.6
127.03960	2.0
129.05533	1.1
145.05016	0.7
145.10188	0.4
174.10242	0.3
185.04245	2.1
200.17545	0.4
201.03818	1.4
203.05315	2.0
227.05339	0.4
243.08574	1.3
257.06262	0.6
259.07953	0.8
261.22452	0.4
267.09244	0.6
267.15970	0.5
275.07538	0.7
299.07455	0.4
301.08960	2.4
311.47299	0.4
315.10562	0.7
317.59796	0.3
319.10205	0.9
329.08582	1.0
335.25992	0.6
337.27444	0.5
347.09528	10.4
359.09863	0.8
363.08954	5.1
365.10715	0.9
371.16977	0.5
373.11511	0.6
383.17081	0.7
385.18695	1.0
405.13675	4.3
429.18304	0.4
463.14258	6.7
469.20700	0.6
477.15604	2.3
479.13516	0.6
486.81622	0.4
489.15829	0.6
503.17279	0.6
517.19061	0.6
519.21631	0.7
519.29102	3.8
531.20764	1.2
533.22235	1.0
535.16345	2.9
545.22437	0.4
547.23364	3.6
549.18750	0.8
585.25775	0.6
591.22852	1.4
591.31317	0.5
619.26166	0.7
625.28217	0.8
631.25964	1.8
645.27948	0.5
661.39771	0.6
671.29388	1.1
675.31995	0.9
681.34637	10.8
685.30609	0.5
697.32825	0.7
699.32574	0.4
711.32098	0.9
725.34174	0.4
740.35840	5.1
753.36884	2.8
767.38470	0.7
781.40631	1.4
782.41235	0.6
795.40509	0.8
823.44440	3.5
824.45313	4.0
837.45105	0.6
841.45087	0.7
863.48126	0.8
865.45667	0.6
880.48615	0.6
907.45679	2.2
908.49164	0.6
925.47430	100.0
926.47717	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	925.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05743	0.3
67.05505	3.4
69.03432	3.8
69.07076	0.7
69.85728	0.6
71.01358	0.4
71.04980	1.8
73.02917	3.3
79.05479	2.1
81.03418	1.5
81.07053	3.4
83.05001	0.3
83.08634	0.6
85.02904	6.1
85.06563	0.5
87.04497	0.5
91.03960	3.2
91.05482	2.0
93.07046	2.2
95.08603	1.7
97.02892	5.5
97.03478	0.4
97.06521	0.6
99.04464	1.1
101.02375	2.0
103.03925	0.5
105.07065	0.9
107.08614	1.3
109.02885	0.9
109.10191	1.0
111.08090	0.3
115.03960	0.6
117.07059	0.3
119.08582	0.5
121.10158	0.7
123.11736	0.4
127.03947	1.8
129.05464	0.3
131.08585	0.6
133.10149	1.0
135.11745	0.5
149.13245	0.7
151.11182	0.6
159.11763	0.5
177.12738	0.3
185.04311	0.9
187.13347	0.6
203.05371	0.9
241.61067	0.2
243.08403	2.2
257.17505	0.4
267.15802	1.0
285.07645	0.3
291.41928	0.3
323.18448	0.4
333.15155	0.3
339.29340	0.3
347.09509	2.9
363.08908	0.6
365.10840	1.0
401.60257	0.3
405.13657	6.7
430.48560	0.3
441.20612	0.4
453.21069	0.5
485.23581	7.8
519.29260	5.0
532.65857	0.3
564.20013	0.3
601.40973	0.3
615.26367	0.3
647.28870	6.6
681.34705	4.6
763.46326	1.4
925.51270	100.0
926.51312	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	925.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.4
69.03429	3.2
69.07082	1.0
71.01348	0.3
71.04988	1.7
73.02914	4.2
79.05492	2.0
81.03413	1.5
81.07056	4.0
83.08627	0.3
85.02898	6.8
91.03947	4.1
91.04402	0.3
91.05460	1.5
93.07045	2.7
95.04963	0.4
95.08591	2.5
97.02897	5.7
98.22726	0.8
99.04498	0.8
101.02392	1.9
103.04002	0.5
105.07047	0.7
107.08625	1.2
109.02911	1.0
109.10173	0.8
119.08619	0.6
121.10194	1.3
123.11744	0.5
127.03083	0.5
127.03901	2.3
131.08614	0.9
133.10172	1.0
135.11739	0.8
145.04976	0.6
145.10201	0.4
149.13312	0.4
154.42545	0.4
159.11697	0.4
183.13826	0.3
185.04260	0.9
203.05305	0.7
243.08372	1.8
249.43356	0.3
267.15857	1.1
323.18344	0.4
335.25818	0.7
347.09512	2.9
347.12830	0.3
363.09171	0.5
365.10458	1.4
376.25677	0.3
401.52231	0.3
405.13672	7.2
424.98447	0.3
485.23627	5.1
519.29279	6.5
519.36298	0.5
585.28021	0.3
647.28595	3.9
681.34460	8.0
681.45331	0.5
763.46259	1.5
925.51239	100.0
926.51831	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	926.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	2.8
69.59838	0.7
69.60178	0.2
71.04990	0.6
79.01859	1.7
81.03420	7.4
84.96059	0.2
85.02902	2.3
85.03361	0.3
94.88058	0.2
97.02899	6.3
98.97598	0.2
99.04454	1.0
100.99165	0.2
107.01334	1.1
108.04478	0.8
109.02885	5.4
121.10907	0.1
125.02350	2.3
126.03149	0.3
127.03919	7.7
135.00735	0.2
141.01907	0.2
143.03404	3.4
145.04976	1.3
150.68864	0.2
152.06432	0.2
153.01834	100.0
154.02161	1.2
171.02898	17.2
191.03372	0.3
208.97690	0.4
218.66745	0.2
226.98654	0.7
227.99007	0.3
231.02945	1.0
237.04012	0.3
245.00807	0.2
247.02550	1.2
257.00900	0.3
259.02472	1.8
261.04114	0.2
273.00391	0.3
275.01807	1.1
276.02597	0.9
277.03439	6.1
279.05035	0.8
297.06067	12.8
300.99814	0.7
302.00662	0.7
303.01416	3.1
315.07104	31.0
316.07462	0.8
321.02823	0.8
322.03281	0.3
328.23315	0.2
378.71829	0.2
381.05338	0.8
382.05615	0.5
399.06036	0.4
400.06097	0.2
401.05099	1.6
427.02966	2.1
442.07175	0.3
455.07767	0.2
465.06219	0.3
467.08221	1.5
485.09424	0.2
501.09097	0.4
502.09009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	7.7
69.09780	6.7
71.01352	1.3
71.05009	1.4
76.27701	0.9
81.03419	8.1
85.02899	6.7
91.05495	0.9
93.03403	1.5
95.01331	6.3
95.04974	1.2
97.02877	7.4
98.22614	1.8
98.97562	1.8
99.04446	1.2
100.89667	0.9
101.02401	1.3
107.04964	1.2
109.02873	2.6
113.06027	1.4
115.05412	1.4
117.05479	1.3
119.04945	1.3
121.02901	0.9
123.04427	1.1
131.04912	2.5
131.07027	1.3
147.04425	3.4
153.01804	2.6
157.06541	1.0
159.04338	1.3
161.05949	1.1
163.03931	2.8
165.07004	2.2
169.06592	1.1
171.04373	2.9
173.50346	0.9
175.03853	3.9
181.06473	3.0
183.04279	1.1
185.02319	3.3
185.05974	1.9
187.03906	8.3
189.01869	1.2
191.03357	2.3
193.06473	2.2
195.04471	1.7
197.05945	2.5
199.03937	5.4
201.01801	2.6
203.03384	7.5
205.04836	1.6
205.06491	2.5
207.04529	1.0
209.06033	3.4
211.04028	1.3
213.01875	5.6
213.05452	3.6
215.03394	12.7
217.01225	1.7
219.02838	1.7
221.05994	3.3
223.04013	1.9
225.05449	3.3
227.03423	8.1
229.01421	6.2
229.05042	1.9
231.02887	31.9
233.06248	1.5
235.03935	1.4
237.05544	6.6
239.03378	4.0
239.07074	1.2
241.01309	6.2
241.05003	6.1
243.02896	9.5
245.00787	1.5
245.04347	2.6
247.02254	6.1
249.05481	4.1
251.03395	1.8
251.07053	1.9
253.04935	7.4
255.02872	9.5
255.06453	3.0
257.00781	5.4
257.04385	5.0
259.02368	53.0
260.02847	1.2
261.03635	6.5
263.07095	1.5
265.04919	9.3
267.02917	4.0
267.06528	3.2
268.03500	1.2
269.04489	9.0
271.02399	10.1
273.00348	3.9
273.03967	8.7
275.01642	8.1
276.02643	6.6
277.03381	100.0
278.03708	1.2
279.02982	2.2
279.06558	2.7
281.04398	8.0
283.02390	6.3
283.05948	2.8
285.00327	6.1
285.03949	7.1
287.01846	6.0
287.05157	1.9
289.03308	36.7
293.04553	5.6
295.02319	4.8
295.05954	5.1
297.03867	11.8
299.01855	25.8
299.05200	2.0
300.02655	1.0
300.99774	6.3
301.03436	26.7
302.00482	2.1
303.01337	61.9
303.04874	2.7
305.04449	8.2
307.02472	2.5
307.06091	2.4
309.03848	5.8
311.01996	2.4
311.05481	6.4
312.99884	0.8
313.03375	22.7
314.04044	1.2
315.01382	57.6
315.04996	8.9
316.01895	2.1
317.02625	5.5
319.06149	2.2
321.04086	8.2
323.01825	7.7
323.05545	5.4
324.02719	1.9
325.03595	6.1
326.00461	1.3
327.01315	13.0
327.05026	13.8
328.99261	36.6
329.03000	8.4
331.04526	1.6
333.04019	4.6
335.01810	1.1
335.05219	4.5
337.03467	11.2
338.04062	2.5
339.01288	11.7
339.05005	16.4
340.02060	2.0
340.98904	1.5
341.02893	22.9
341.06522	3.2
343.00787	1.7
343.04492	6.9
345.02396	56.5
347.05643	2.2
349.03522	7.9
351.04938	9.0
353.02872	15.7
353.06653	3.2
354.03610	1.1
355.00693	2.5
355.04462	15.9
357.02280	2.0
357.06223	1.7
359.04172	3.8
361.03372	2.4
363.03873	10.2
365.02850	14.7
365.06827	1.6
367.00366	1.6
367.04489	29.3
369.02100	6.8
369.06339	8.9
371.03845	4.5
375.04633	1.7
377.02866	6.5
378.03802	1.4
379.00598	1.7
379.04556	11.7
381.01938	8.5
381.06186	3.7
383.04004	11.1
385.05634	14.8
387.03452	27.9
389.02496	2.2
390.03885	1.2
391.04498	3.5
393.02728	3.9
393.05350	5.5
395.03943	37.2
397.01398	23.6
397.05823	7.0
399.03485	4.6
401.05170	1.6
403.06949	4.8
405.02066	1.7
405.06259	1.4
407.03720	8.6
409.00916	1.7
409.02084	1.8
409.06036	7.4
411.03418	60.3
413.04929	6.6
415.02563	1.9
417.05740	1.4
419.03986	3.3
421.06192	4.4
423.03171	16.4
425.05035	2.3
427.07013	2.0
429.04495	9.9
433.05576	2.9
435.03168	8.8
437.04770	2.2
439.06711	7.1
441.04388	5.3
445.04703	1.6
447.05676	18.5
449.05072	2.7
451.06677	6.8
453.04675	7.9
455.06387	1.4
459.05603	5.1
461.04953	1.7
463.06677	5.9
465.04483	7.8
469.07617	2.6
471.05118	3.1
477.04523	5.9
481.07715	6.0
483.05588	3.1
489.04837	4.8
495.05573	11.6
499.08768	3.9
501.06552	3.3
507.05768	6.2
513.06653	28.8
517.09760	1.6
519.07526	5.7
525.06860	9.9
531.07581	9.4
543.07690	14.2
561.08698	10.1
562.45837	1.0
579.09760	15.0
597.10773	3.5
633.10297	1.4
833.07971	1.5
845.08948	1.3
881.09784	1.6
899.11456	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	934.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	44.4
69.03432	9.7
69.07072	27.1
71.04996	4.4
73.96449	2.2
79.05494	42.4
81.03421	43.8
81.07062	44.9
83.04976	14.8
83.08623	20.8
85.02906	23.8
85.06551	3.2
91.03941	6.7
91.05482	49.3
93.07046	44.3
95.04974	30.7
95.08617	16.7
97.02886	15.8
97.06538	7.0
97.10160	14.6
99.04541	2.1
105.04486	2.7
105.07030	35.1
106.10177	2.3
107.04950	12.8
107.08591	25.2
109.06520	8.2
109.10166	18.8
111.04442	2.5
111.08081	7.9
117.07021	16.4
119.08583	31.1
121.06518	6.4
121.10158	19.3
123.08070	4.6
123.11684	5.1
125.09653	13.6
129.07008	13.9
131.08569	16.2
133.06479	3.3
133.10123	29.6
135.08020	4.8
135.11710	6.6
137.09642	3.5
142.07811	3.3
143.08560	4.7
145.10115	12.2
147.08055	8.4
147.11685	18.9
149.09628	9.7
149.13228	2.8
151.11208	5.7
153.09166	2.4
157.10164	14.2
159.11693	5.4
161.09584	4.5
161.13144	3.5
163.11179	10.9
165.09082	2.8
165.12778	3.7
175.11230	11.4
189.11223	8.0
193.12231	28.0
205.12233	2.8
211.13277	42.6
223.13309	14.9
227.12755	14.7
249.14796	3.9
253.14441	16.1
257.19061	2.6
259.20605	4.1
267.15936	32.6
269.17468	3.4
273.18530	20.9
275.20013	6.6
283.15488	24.0
285.16974	48.2
291.19540	85.3
299.14914	5.3
309.20206	2.6
333.24176	3.8
347.22110	4.3
349.23770	7.2
365.23267	58.1
432.72949	2.2
437.25275	5.2
459.27563	2.7
463.27246	3.1
477.28491	12.9
495.29282	4.4
539.33539	7.0
557.34784	91.1
575.35779	100.0
576.35901	2.7
681.43964	2.4
683.38715	2.7
701.38348	4.4
719.40155	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.2
67.05505	73.9
69.03423	18.0
69.07069	33.9
69.27223	10.2
69.27816	2.3
71.04993	7.1
73.02918	5.9
79.05492	84.7
81.03419	68.5
81.07057	98.7
83.04981	25.8
83.08620	32.9
85.02897	48.6
85.06557	7.2
91.03953	13.8
91.05480	100.0
92.30602	2.2
93.07042	79.0
95.04967	40.8
95.08605	46.7
97.02909	19.2
97.06535	18.5
97.10159	6.2
98.23535	4.0
99.04440	4.5
99.08090	6.8
105.04532	6.8
105.07027	88.0
107.04971	12.6
107.08589	47.7
109.02882	3.3
109.06512	12.1
109.10127	18.3
109.58799	2.3
111.04426	4.4
111.08092	11.8
113.05983	3.6
115.05445	4.8
117.07012	24.0
119.06090	2.3
119.08582	65.6
121.06505	8.1
121.10147	28.8
123.08073	10.0
123.08880	2.3
123.11701	6.0
125.09647	6.3
126.56036	2.2
127.03924	7.7
128.06226	3.6
129.05504	4.5
129.06985	19.7
131.08572	50.8
133.06516	3.0
133.10123	59.6
133.11140	2.9
135.08025	6.2
135.11717	19.4
137.09628	6.1
139.11250	3.3
142.07819	3.6
143.08531	12.5
145.04970	7.6
145.06454	4.2
145.10133	28.4
147.08049	7.5
147.11681	55.6
149.09645	16.2
149.13237	17.5
151.11151	4.6
155.08521	3.4
157.10124	25.6
159.11662	25.8
161.09645	3.0
161.13260	23.8
163.06041	3.6
163.11212	8.1
165.12767	6.9
169.10149	5.5
171.08195	3.0
171.11670	10.5
173.04379	3.2
173.11984	2.3
173.13193	11.4
175.11180	16.1
175.14845	7.2
177.12764	6.0
179.14278	4.2
183.11690	5.9
185.13286	7.5
187.14841	2.7
191.10622	2.8
193.10532	3.0
193.12228	59.8
195.13832	9.1
197.13266	3.0
199.14861	5.3
211.13272	64.3
223.14931	2.6
227.12769	8.4
229.19508	2.9
231.21085	5.3
239.17921	3.5
241.19522	18.0
253.14490	2.6
257.19031	9.1
259.20581	55.3
259.23172	4.2
267.15872	31.0
269.17502	37.6
273.18484	2.9
275.20056	21.5
277.21759	3.4
283.15277	4.0
285.16953	66.3
285.19958	4.0
293.21271	4.0
315.23181	6.3
333.20508	4.6
333.24207	40.7
337.16226	2.2
340.09805	2.5
349.23740	16.5
378.87723	2.9
392.10263	2.5
421.26166	3.1
433.31195	4.6
439.26749	3.0
451.31879	9.3
461.28946	22.6
479.30042	53.2
507.34793	2.8
525.35834	26.7
530.30939	2.4
541.35083	9.8
543.36823	83.5
559.36255	22.9
561.37726	5.8
577.37152	7.9
936.42157	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	936.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.8
67.05505	90.2
69.03426	10.9
69.06709	1.9
69.07070	38.3
71.01344	2.2
71.05016	6.8
71.08624	3.6
71.43233	1.2
73.02909	4.2
77.03935	1.6
78.82746	1.1
79.05491	54.1
79.31684	1.1
81.03419	22.1
81.07058	100.0
83.04976	13.9
83.08137	1.4
83.08620	19.2
85.02905	17.4
85.06532	6.8
91.03957	7.9
91.05481	54.5
93.07044	70.2
95.04972	16.8
95.08607	41.4
97.02892	16.3
97.06527	16.6
97.10152	9.2
98.07333	1.9
99.04458	4.5
99.08096	4.6
105.04503	4.1
105.07030	32.0
107.04952	9.4
107.08591	42.8
109.02904	4.3
109.06512	5.3
109.10154	28.8
111.04451	2.5
111.08065	8.0
113.09665	2.0
115.05463	2.0
116.04678	1.8
117.07018	13.3
119.08572	21.8
121.06519	5.3
121.10139	20.9
123.08064	7.3
123.11718	6.9
125.09631	7.6
127.03889	6.4
127.07507	1.3
129.05490	7.4
129.07014	4.2
131.08569	18.4
133.10126	27.5
135.08060	4.1
135.11699	21.9
137.09625	10.1
139.11143	1.9
141.07007	2.1
141.09212	1.9
142.07735	1.9
143.08557	3.4
145.04962	4.3
145.10141	10.0
147.08095	2.0
147.11702	10.7
149.09625	17.9
149.13255	18.4
151.11198	5.1
153.09105	1.6
155.10680	1.7
157.10147	5.3
159.10374	1.8
159.11674	14.7
161.09587	2.1
161.13261	4.7
161.67813	1.5
163.06029	1.5
163.11137	7.1
165.12827	1.9
167.10663	2.1
169.10190	2.0
171.10176	1.4
171.11674	3.5
173.04491	1.4
173.11749	6.6
173.13274	3.7
175.11162	1.9
177.12773	5.5
179.14337	10.9
181.12271	1.7
183.46834	1.2
184.13435	1.4
185.13283	1.4
189.11246	2.5
193.12222	2.4
195.13800	19.0
210.43259	1.2
211.13231	2.4
213.14859	2.9
227.12755	6.6
229.14270	12.4
229.19443	1.6
239.16321	1.9
241.17778	1.3
243.15924	3.2
247.20703	1.8
249.14703	1.5
253.14404	2.3
255.15857	5.0
257.18976	3.3
267.15741	5.8
269.17487	65.5
273.18488	5.0
275.17377	2.1
275.20087	16.8
277.21655	7.0
283.15384	1.6
285.16873	2.8
291.19464	9.1
293.21054	2.5
301.16510	4.4
301.21402	1.2
316.61258	1.2
321.24036	1.3
324.14874	1.3
349.23740	23.5
351.25201	3.0
365.23270	7.8
365.27069	1.7
373.18616	4.5
411.27414	1.2
419.27820	2.0
420.28738	2.0
423.27368	52.9
435.38904	1.6
437.29044	10.3
447.30957	4.0
449.28879	7.9
461.28894	4.5
462.30011	1.5
463.30435	4.5
479.29657	4.9
485.42230	1.4
525.35876	1.5
541.35004	1.4
543.36823	42.8
544.37299	2.4
559.36243	9.3
561.37976	8.1
567.31677	6.5
577.37354	21.7
687.41327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.7
67.05503	77.8
69.03423	16.2
69.07066	33.9
69.53468	4.7
71.05003	10.3
71.08638	2.8
73.02919	8.4
73.59015	1.9
77.03922	3.1
79.05492	88.5
81.03418	71.8
81.07056	91.4
83.04978	32.9
83.08620	34.1
85.02907	49.0
85.03423	3.8
85.06564	4.9
91.03942	14.8
91.05479	100.0
92.38953	2.0
93.07043	79.3
95.04967	43.8
95.08603	42.1
97.02889	14.6
97.06527	17.3
97.10152	11.6
99.04481	3.6
99.08105	7.9
103.05503	3.1
105.04510	6.0
105.07026	79.8
107.04961	15.2
107.08591	45.5
109.02912	4.1
109.06456	10.3
109.10139	17.4
111.04437	5.0
111.08080	18.7
113.06015	2.8
115.05482	5.0
117.07007	21.0
119.08583	65.2
119.09432	4.4
121.06491	4.7
121.10142	29.7
123.08086	6.3
123.11724	4.3
125.09637	8.0
127.03932	8.2
128.06276	3.6
129.05513	10.1
129.06979	28.6
131.08568	43.9
133.06474	5.3
133.10124	59.0
135.08087	5.0
135.11690	20.3
137.09622	5.8
141.07016	2.3
142.07803	4.4
143.08562	9.7
145.04971	7.3
145.10121	21.8
147.08044	5.8
147.11684	48.4
149.09612	16.8
149.13251	16.2
151.11189	3.9
155.08517	6.0
157.06526	2.5
157.10141	31.0
159.11636	20.9
161.09644	4.3
161.13271	16.5
163.06032	3.4
163.11176	9.9
163.14856	3.3
165.09210	2.7
165.12787	6.5
166.90303	2.2
169.10138	3.5
171.11661	14.8
173.11888	3.1
173.13219	12.0
175.11182	16.2
175.14746	10.3
177.12779	6.5
179.14276	3.4
183.11671	5.7
185.13292	8.2
187.14828	2.7
189.11253	4.6
189.12755	3.0
193.12236	59.6
195.13847	6.8
197.13258	5.2
199.14845	4.7
203.14430	2.7
205.12202	2.0
211.13281	82.9
213.14828	3.2
217.15746	2.1
227.12796	6.7
229.14378	4.1
229.19670	2.5
231.21008	3.0
239.18004	3.7
241.19536	14.3
257.19046	8.4
259.20612	44.3
267.15918	37.7
269.17447	27.9
274.62723	2.9
275.20056	24.0
283.15460	6.4
285.16962	83.1
293.21075	10.8
301.16479	8.1
313.21460	2.5
315.23038	4.1
316.84927	2.5
322.66730	2.9
331.22327	2.4
333.24240	36.0
349.23825	19.3
367.24857	4.0
433.31067	3.3
451.32001	4.7
461.28873	12.2
469.32828	3.1
477.28476	7.9
479.30017	41.7
509.98141	2.9
525.35754	23.4
541.35107	6.4
543.36780	63.0
559.36224	25.0
577.37653	12.5
936.43298	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	936.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	6.1
67.05507	64.1
69.03435	14.0
69.06715	2.0
69.07073	36.0
71.04979	9.9
71.45351	1.3
73.02909	4.4
77.03904	1.9
79.05496	76.3
81.03418	87.6
81.07058	80.0
83.04519	2.7
83.04983	26.7
83.08620	41.7
85.02906	39.0
85.06538	5.8
91.03947	7.6
91.05481	77.3
93.07047	65.5
95.04974	43.4
95.08605	33.4
97.02887	13.2
97.06544	19.4
97.10168	20.9
99.04450	3.2
99.08071	4.3
103.05469	2.5
103.92692	1.4
105.04527	3.0
105.07030	61.1
107.04952	19.0
107.08595	46.4
107.85643	2.2
109.06551	10.4
109.10144	14.2
111.04428	3.0
111.08083	15.0
113.06050	3.2
115.05466	2.9
117.07009	16.8
119.04850	1.7
119.08589	43.6
121.06499	9.4
121.10149	28.3
122.82030	1.7
123.08051	8.0
123.11712	3.9
125.09622	16.2
127.03910	7.3
127.07455	1.8
129.06996	20.8
131.08565	33.9
133.06490	6.9
133.10126	38.7
135.08058	5.6
135.11723	13.5
137.09631	4.7
142.07800	3.6
143.08548	4.0
145.04976	3.8
145.06641	2.0
145.10126	20.5
147.08051	6.8
147.11688	32.7
149.09621	22.1
149.13304	7.0
151.11168	3.4
153.09088	2.4
155.08566	4.6
157.10129	27.5
159.11708	15.9
161.09651	2.1
161.13263	6.0
163.06096	2.4
163.11227	11.3
165.12740	5.9
169.10104	3.4
171.11682	5.4
173.04446	3.8
173.09654	2.4
173.11871	3.0
173.13264	6.3
175.11198	20.6
177.12727	3.6
179.14221	4.3
183.11639	2.7
185.13356	1.9
187.11192	2.9
189.11174	9.3
193.12244	52.3
197.13297	4.4
209.13336	2.4
211.13286	83.2
227.12756	26.7
229.14340	3.7
237.18480	1.5
239.17946	3.7
245.13892	1.7
247.20477	2.9
249.14899	2.6
255.15961	7.4
257.19028	11.5
267.15906	43.4
269.17462	19.8
275.20056	51.8
283.15479	2.0
285.16974	88.2
286.17218	1.8
293.21286	2.7
331.22702	5.2
349.23743	55.4
350.24161	2.2
367.24551	3.3
387.25070	2.2
421.25821	3.2
437.25397	5.2
439.26810	11.3
443.27908	4.4
445.29254	2.2
447.27274	11.0
449.30338	3.0
455.26352	6.6
461.29044	35.5
463.30380	4.7
465.28522	11.8
479.30048	72.0
501.32654	2.3
501.49973	2.0
523.33990	5.3
531.36279	2.0
541.35303	48.4
559.36310	100.0
560.36969	2.7
577.37158	15.0
578.39148	1.9
583.29681	1.8
599.30017	3.0
623.34406	9.4
703.39673	3.1
721.41022	1.9
785.51361	1.9
788.91858	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	936.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.4
67.05503	46.6
68.67595	1.1
69.03439	7.7
69.07065	16.2
70.12457	1.2
70.12795	1.9
71.01348	1.2
71.04992	6.3
73.02922	2.9
77.03927	1.5
79.05490	41.0
81.03413	51.6
81.07053	61.2
83.04984	16.7
83.08617	22.6
85.02905	27.5
85.06535	4.4
91.03946	4.3
91.05478	48.3
91.06055	2.1
93.07040	42.4
95.04966	28.8
95.08601	23.0
97.02885	10.0
97.06520	11.5
97.10165	4.9
99.04456	1.7
99.08076	3.3
103.05495	1.7
105.04514	2.6
105.07026	33.2
107.04958	10.3
107.08593	25.8
107.48170	1.1
109.02869	1.4
109.06499	6.8
109.10152	9.5
111.04440	2.2
111.08076	12.2
113.06020	1.4
115.05453	2.6
117.07027	11.1
119.08575	23.9
121.06519	3.8
121.10142	17.4
123.08094	5.1
123.11681	4.4
125.09635	4.3
127.03889	4.2
127.07558	1.5
128.06178	1.3
128.26183	0.9
129.05475	1.3
129.07004	11.4
130.07764	1.1
131.08559	20.2
132.08922	1.0
133.06525	3.6
133.10123	20.9
135.08058	3.7
135.11687	11.3
137.09627	2.7
137.13275	1.1
139.11154	1.3
141.07010	1.2
142.07791	3.7
143.08562	3.7
145.04982	1.7
145.06560	1.4
145.10146	8.7
147.08023	4.8
147.11684	17.6
149.09608	10.8
149.10655	1.1
149.13249	9.1
151.07643	1.0
151.11131	1.2
155.08556	1.6
157.10110	13.0
159.08176	1.2
159.11682	9.2
161.13275	2.8
163.11179	4.5
165.12787	4.0
169.10127	1.2
171.11696	2.9
173.04446	2.7
173.13249	2.4
175.11182	13.1
177.12808	2.2
179.14322	1.5
183.11624	1.5
185.13310	1.7
189.11250	1.7
193.12247	32.0
195.13704	4.6
201.12659	1.0
211.13278	46.2
227.12801	3.1
229.14354	1.4
229.19386	1.5
239.17937	1.4
247.20650	1.0
249.14821	2.0
253.14259	1.0
255.15863	8.0
257.19046	4.6
267.15924	31.6
267.18756	1.9
269.17477	29.0
275.20062	16.0
285.16956	52.4
293.21063	1.2
315.23337	0.9
331.22739	1.0
349.23685	15.3
367.24771	2.8
387.25732	1.0
413.21558	1.7
433.29880	1.1
439.26932	1.4
443.27930	3.3
447.27393	13.0
455.26443	1.0
461.28952	41.1
463.30658	1.4
465.28430	12.8
479.30026	100.0
480.30139	2.1
501.31717	1.0
523.33716	1.1
541.35291	15.0
544.52002	0.9
559.36267	29.1
560.36218	1.1
577.37238	8.8
587.31799	1.8
605.33441	1.9
623.34131	5.9
667.61884	1.0
685.39307	1.2
703.40125	2.7
721.41113	1.4
724.60309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.9
67.05506	60.5
69.03442	3.8
69.07070	12.4
71.04995	3.1
73.02906	2.9
77.03925	1.7
79.05492	43.4
81.03419	76.6
81.07057	63.8
83.04996	6.1
83.08621	23.6
85.02898	8.0
85.06547	2.5
91.03965	6.3
91.05478	35.0
93.07045	49.8
95.01303	1.1
95.04973	30.7
95.08605	47.6
97.02879	6.3
97.06535	4.2
97.10169	6.9
98.22500	1.4
99.08069	1.8
103.05473	1.2
105.04499	2.4
105.06347	1.4
105.07034	25.6
107.04964	8.7
107.08595	27.5
109.02847	1.0
109.06528	5.3
109.10162	24.4
111.04451	2.0
111.08081	6.7
115.05435	2.6
117.07028	7.8
119.04907	0.8
119.08584	24.1
121.06546	4.7
121.10143	25.4
123.04401	3.2
123.08058	3.7
123.11708	7.4
125.09631	4.3
127.03942	2.8
129.06992	12.3
130.07857	0.8
131.08566	22.9
133.06483	3.3
133.10136	16.3
135.08018	2.2
135.11684	15.2
137.09586	2.8
137.13229	2.1
139.11177	1.7
142.07777	2.2
143.08578	2.2
145.04965	2.2
145.06494	1.1
145.10135	11.8
147.04428	1.9
147.08029	3.0
147.11694	15.4
148.16707	0.8
149.09615	6.0
149.13266	8.2
151.11186	1.7
155.08482	1.3
157.10130	11.4
159.11676	9.2
161.09621	1.6
161.13280	6.7
163.06017	5.1
163.11179	4.3
163.14796	4.6
165.12726	2.6
169.10080	1.4
171.10347	1.0
171.11713	2.8
173.09689	1.1
173.13249	7.8
175.11201	9.2
175.14812	3.6
177.12758	1.2
177.16359	1.8
181.10213	0.8
181.12233	0.9
183.11646	1.5
185.13309	3.0
187.11247	1.1
187.13341	0.9
187.14781	4.0
189.11188	3.0
189.12704	1.3
189.16408	1.1
191.10681	1.1
193.12245	23.8
197.13347	1.9
199.14842	1.5
205.12228	1.0
211.13254	2.3
227.12773	7.5
229.14424	1.3
235.13319	2.8
243.21103	5.7
249.14822	3.3
259.13156	1.7
259.20618	1.3
261.22125	23.9
265.14456	1.2
267.15918	90.8
268.16299	1.0
273.14896	1.5
279.23273	1.4
301.14377	1.9
301.25192	8.2
303.23178	0.9
309.16907	4.5
317.24741	2.8
321.20816	0.9
335.25806	100.0
336.25998	1.7
337.27029	1.6
359.25507	1.1
403.24924	1.0
407.24063	0.9
417.26169	1.4
417.31549	1.6
421.25897	2.5
435.28000	4.0
435.32333	4.5
449.28784	1.5
453.33612	9.0
471.34894	3.9
509.36176	2.0
527.37341	81.7
545.38379	86.3
546.38403	1.9
551.36536	1.1
559.39954	2.2
569.38409	12.6
587.39105	2.8
593.37451	1.2
611.39130	2.9
623.39600	4.1
635.39166	5.2
653.40344	5.1
671.41772	4.2
702.82806	1.1
795.45129	1.1
878.47424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.5
67.05507	51.2
67.62469	0.7
67.85933	0.7
69.03426	3.2
69.07069	12.3
69.70274	2.4
70.69376	0.6
71.04996	3.4
71.08650	1.2
73.02895	2.1
74.03002	0.7
77.03954	1.0
79.05495	37.1
81.03419	78.2
81.07058	48.1
83.04976	5.1
83.08621	19.2
85.02898	8.2
85.06542	2.0
91.03952	5.2
91.05482	28.3
91.06056	1.3
93.07046	38.1
95.01353	1.1
95.04970	26.7
95.08609	37.1
97.02886	5.5
97.06533	5.6
97.10173	7.2
99.04459	0.9
99.08098	2.0
105.04493	1.5
105.07032	25.1
107.04946	7.3
107.08591	23.4
107.09335	0.9
109.02879	1.6
109.06548	4.0
109.10162	18.9
111.04428	1.6
111.08084	6.4
112.88016	0.9
115.99987	0.6
117.07005	7.4
119.08589	23.2
121.06486	3.3
121.10145	21.9
123.04429	2.9
123.08050	3.3
123.11699	6.2
125.09624	5.7
127.03918	2.0
128.06218	1.2
129.07002	10.0
129.49680	0.7
131.04816	0.6
131.08574	20.2
133.06483	2.6
133.10129	14.7
135.08086	2.1
135.11691	13.0
137.09604	2.3
137.13272	1.7
141.06929	1.3
142.07767	2.8
143.08556	3.3
145.04964	2.5
145.06540	0.9
145.10123	9.7
147.04393	1.2
147.08046	3.8
147.11685	11.7
149.09627	5.3
149.13248	7.5
153.09108	0.9
155.08517	1.9
157.10124	10.9
159.08096	0.8
159.11707	7.8
161.09560	0.8
161.13272	5.7
163.05991	4.5
163.11191	2.5
163.14827	4.1
165.12764	2.0
169.10130	1.7
171.08047	1.0
171.11694	2.7
173.09560	0.9
173.13216	6.2
175.11224	8.4
175.14848	2.4
177.12770	1.2
185.13222	2.5
187.11169	0.9
187.13310	1.0
187.14789	3.9
189.11200	4.2
189.12758	1.3
193.12242	21.2
197.13289	1.4
199.14845	1.1
201.16432	1.5
205.12230	0.8
205.15817	0.8
211.13235	1.8
227.12773	8.9
229.14136	0.7
233.15370	1.4
235.13301	2.1
243.21078	4.2
247.16998	0.9
249.14856	2.9
259.13342	2.1
261.22125	16.2
267.15909	100.0
273.14871	1.3
279.23279	1.4
283.24396	0.8
285.22269	1.3
287.19815	0.7
293.21243	1.0
299.23627	1.7
301.14261	2.7
301.25153	5.7
309.17099	4.8
317.24829	3.9
327.23187	0.7
333.16931	0.7
333.24341	1.5
335.25800	80.7
336.26025	1.3
337.16461	0.8
353.26385	1.0
359.25760	1.0
375.17981	0.9
403.24692	1.0
407.23981	0.8
417.26556	1.2
417.31491	1.5
421.25952	3.4
431.27747	1.2
435.27243	2.8
435.32669	5.3
449.28690	1.2
453.33673	7.5
461.28638	1.3
463.30582	0.8
471.34869	5.6
475.30344	1.5
491.35168	0.9
509.36252	2.4
527.37335	73.1
528.37628	1.4
545.38367	88.2
546.38318	1.9
559.39825	3.1
569.38416	8.0
577.40662	3.2
587.39233	2.0
611.39240	2.1
623.39050	2.4
635.39166	3.5
653.40118	2.8
671.40997	3.7
689.42426	1.0
742.77979	0.7
787.82227	0.8
897.69458	0.8
936.46271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.1
67.05161	4.4
67.05506	74.5
69.03419	4.0
69.07078	19.3
70.00959	2.2
70.32377	3.0
71.04992	31.6
73.02936	3.0
79.05495	53.7
81.03400	8.1
81.07058	100.0
83.04964	7.4
83.08614	12.2
84.91626	2.1
85.02897	15.8
85.06540	7.1
91.03960	7.6
91.04936	4.4
91.05479	63.0
93.07046	56.1
95.04966	9.3
95.08602	37.5
97.02878	7.1
97.06533	9.9
97.10154	5.0
98.23451	2.5
99.04439	2.5
99.08074	2.4
105.07030	62.8
105.07732	3.6
107.04948	2.1
107.08598	31.7
109.06503	6.1
109.10143	17.2
117.07014	22.2
119.08577	34.9
121.10145	21.3
123.08099	2.9
123.11719	12.8
125.09621	9.6
126.43114	2.1
127.03918	2.6
129.06992	9.8
131.08565	28.4
133.10130	43.7
135.08070	4.1
135.11679	15.7
143.08585	11.9
145.04953	4.3
145.10120	27.3
147.11679	24.4
147.54619	2.2
149.09554	3.1
149.13264	11.2
151.11156	9.3
154.92613	2.1
155.08539	6.5
157.10144	12.2
158.17671	2.0
159.11688	24.7
161.13234	11.4
167.08374	2.1
169.10150	5.8
171.11690	10.5
173.04478	3.1
173.13277	8.8
175.11227	3.0
175.14824	5.3
177.12724	5.5
181.10083	2.7
183.11787	3.5
183.13821	3.5
185.13284	8.7
187.13292	4.4
187.14851	3.2
193.12112	2.9
195.13640	2.3
197.13324	3.9
199.14862	6.3
201.14856	3.3
223.14922	2.6
225.14807	2.3
231.21124	3.8
241.19516	8.0
243.15926	5.2
257.17526	9.4
259.20648	27.8
261.22037	2.6
267.16003	2.3
269.17493	9.6
299.18579	3.3
301.20062	21.1
315.23248	5.1
333.24268	26.8
335.25830	5.1
385.24231	2.7
409.30603	3.0
435.32465	4.3
483.34381	10.5
495.55655	2.2
501.35718	80.1
503.37115	8.1
507.39633	2.4
509.36115	6.2
527.37299	82.8
533.38135	9.2
543.36774	2.8
545.38177	15.3
550.26331	2.5
559.40161	30.5
577.41010	4.7
635.39435	3.1
653.40143	3.1
667.41754	3.1
671.41150	4.0
689.42212	3.6
703.43951	5.6
717.89819	2.4
721.45386	3.5
726.02234	2.4
730.31158	2.3
936.46497	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	941.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.4
69.03440	2.5
69.07072	1.0
73.02910	2.9
79.05501	2.0
81.03417	2.6
81.07067	2.4
83.04980	0.8
83.08636	0.8
85.02908	5.3
91.03991	2.0
91.05518	1.5
93.07056	1.7
95.05002	0.9
95.08614	1.0
97.02894	4.1
99.04491	1.4
101.02416	0.6
103.20999	0.5
105.07075	1.9
109.02901	1.0
109.10139	0.7
119.08620	1.1
119.70557	0.5
127.03864	1.1
129.07053	0.8
133.10127	0.8
147.11736	0.6
149.09529	0.6
185.04314	1.0
193.12282	1.1
203.05267	0.7
243.08440	1.8
269.12390	0.6
333.20673	1.6
347.09579	2.5
365.10733	1.7
405.13705	4.4
453.21075	1.0
469.20462	7.5
551.28180	3.1
631.25751	6.6
713.33624	2.2
779.42139	1.7
941.47113	100.0
942.47784	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	941.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.9
69.03438	2.7
69.07082	0.8
71.01388	0.3
71.05003	0.8
73.02923	2.7
75.52094	0.2
78.60697	0.2
79.05503	2.4
81.03426	2.5
81.07054	2.9
81.07415	0.2
81.69043	0.3
83.04997	0.2
83.08639	0.6
84.24153	0.2
85.02910	5.2
85.03407	0.3
91.03960	3.1
91.04390	0.2
91.05471	2.0
91.05888	0.2
92.27814	0.2
93.07067	1.9
95.05012	0.8
95.08600	1.8
97.02900	4.7
97.03477	0.4
97.10186	0.2
98.22675	0.5
99.04480	0.7
101.02389	1.3
105.07074	1.0
107.08594	1.3
109.02929	0.7
109.10170	1.1
111.08105	0.3
113.56133	0.3
119.08638	0.9
121.10187	1.0
125.50581	0.3
127.03938	1.6
129.06995	0.4
129.52101	0.3
131.08649	0.6
133.10162	0.5
135.11775	0.8
145.05003	0.3
145.10205	0.3
147.11737	0.5
147.82863	0.3
149.09624	0.6
155.64331	0.3
157.10114	0.5
166.58911	0.3
169.23491	0.2
173.11742	0.2
175.11249	0.3
185.04291	0.3
193.12257	0.3
202.22357	0.3
203.05339	0.5
225.14993	0.3
229.14490	0.4
243.08450	1.2
244.40454	0.2
259.08102	0.3
283.15219	2.7
301.16870	0.4
335.26068	0.5
337.27557	0.5
339.17914	0.5
347.09549	2.4
354.72656	0.2
363.08908	0.4
365.10703	0.7
398.75372	0.2
405.13699	5.3
405.18646	0.3
469.20483	0.3
501.23105	4.9
519.29303	6.9
617.40790	0.3
663.28369	3.5
681.34454	7.9
681.45227	0.5
693.41309	0.4
779.45734	1.8
941.50787	100.0
942.50500	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	952.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	0.5
69.03422	2.0
81.03386	1.0
83.01344	4.6
85.02908	3.9
97.02898	2.2
99.04400	0.5
103.46487	0.4
109.02803	0.9
111.00773	1.5
123.00810	0.6
127.03919	1.7
129.68982	0.3
139.00256	6.6
140.97279	0.4
145.04971	1.0
147.04414	0.4
153.01852	4.1
157.01308	1.4
157.02666	0.4
166.99707	0.7
169.01323	0.5
171.04355	0.4
175.03897	0.4
184.99280	0.6
185.00826	7.7
185.02402	0.4
187.03860	1.0
199.03973	0.5
201.01775	0.7
203.03345	0.9
213.01790	1.1
213.05376	0.4
215.03337	1.2
217.01469	0.6
219.03001	0.5
227.03384	0.5
229.01303	1.5
231.02911	4.9
241.01268	1.6
243.02902	1.3
245.04376	0.4
247.02391	1.4
255.02802	1.5
257.00793	5.8
259.02377	6.9
261.03760	0.4
267.03021	0.8
269.01297	0.4
269.04477	1.0
271.02533	0.5
273.00348	1.0
273.03903	1.2
275.01840	5.7
277.03427	13.7
281.00638	0.4
281.04349	0.4
283.02390	0.8
285.00314	6.5
285.03613	0.6
286.01077	1.9
287.01859	7.9
289.03333	1.7
295.02380	0.8
297.03897	1.9
299.01807	2.6
300.99774	2.0
301.03452	2.3
302.00540	5.6
303.01343	100.0
304.01749	1.4
305.00565	0.7
312.99725	1.9
313.03424	1.7
315.01218	1.3
315.04968	0.6
321.02454	0.9
323.01865	3.2
324.99612	0.7
325.03229	0.7
327.01273	1.4
328.99509	1.8
329.02795	0.5
335.02121	0.5
339.04980	0.6
341.02817	1.3
343.04391	1.5
345.02420	13.8
351.01279	1.1
353.02960	1.0
363.01321	1.0
369.02429	1.8
371.04205	0.5
379.00830	5.3
381.02396	1.0
385.05450	0.6
387.03485	1.1
391.01031	0.4
397.01968	2.0
399.03400	0.4
407.00369	7.8
407.05551	0.3
409.02029	0.9
425.01270	0.4
427.02933	10.6
434.99847	6.9
441.79834	0.4
447.05554	1.7
453.00885	47.9
454.01068	0.8
464.99963	0.7
465.06638	19.1
471.01953	78.0
472.02393	1.5
487.04654	1.6
488.05179	1.5
615.06213	1.9
728.39978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99773	0.5
69.03422	2.0
81.03386	1.0
83.01344	4.6
85.02908	3.9
97.02898	2.2
99.04400	0.5
103.46487	0.4
109.02803	0.9
111.00773	1.5
123.00810	0.6
127.03919	1.7
129.68982	0.3
139.00256	6.6
140.97279	0.4
145.04971	1.0
147.04414	0.4
153.01852	4.1
157.01308	1.4
157.02666	0.4
166.99707	0.7
169.01323	0.5
171.04355	0.4
175.03897	0.4
184.99280	0.6
185.00826	7.7
185.02402	0.4
187.03860	1.0
199.03973	0.5
201.01775	0.7
203.03345	0.9
213.01790	1.1
213.05376	0.4
215.03337	1.2
217.01469	0.6
219.03001	0.5
227.03384	0.5
229.01303	1.5
231.02911	4.9
241.01268	1.6
243.02902	1.3
245.04376	0.4
247.02391	1.4
255.02802	1.5
257.00793	5.8
259.02377	6.9
261.03760	0.4
267.03021	0.8
269.01297	0.4
269.04477	1.0
271.02533	0.5
273.00348	1.0
273.03903	1.2
275.01840	5.7
277.03427	13.7
281.00638	0.4
281.04349	0.4
283.02390	0.8
285.00314	6.5
285.03613	0.6
286.01077	1.9
287.01859	7.9
289.03333	1.7
295.02380	0.8
297.03897	1.9
299.01807	2.6
300.99774	2.0
301.03452	2.3
302.00540	5.6
303.01343	100.0
304.01749	1.4
305.00565	0.7
312.99725	1.9
313.03424	1.7
315.01218	1.3
315.04968	0.6
321.02454	0.9
323.01865	3.2
324.99612	0.7
325.03229	0.7
327.01273	1.4
328.99509	1.8
329.02795	0.5
335.02121	0.5
339.04980	0.6
341.02817	1.3
343.04391	1.5
345.02420	13.8
351.01279	1.1
353.02960	1.0
363.01321	1.0
369.02429	1.8
371.04205	0.5
379.00830	5.3
381.02396	1.0
385.05450	0.6
387.03485	1.1
391.01031	0.4
397.01968	2.0
399.03400	0.4
407.00369	7.8
407.05551	0.3
409.02029	0.9
425.01270	0.4
427.02933	10.6
434.99847	6.9
441.79834	0.4
447.05554	1.7
453.00885	47.9
454.01068	0.8
464.99963	0.7
465.06638	19.1
471.01953	78.0
472.02393	1.5
487.04654	1.6
488.05179	1.5
615.06213	1.9
728.39978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
69.03426	11.7
69.07066	41.5
70.26367	2.5
71.01357	2.8
71.04989	11.4
73.02908	6.7
77.03938	2.9
79.05492	75.5
80.06276	1.4
81.03414	64.7
81.07053	89.3
82.04193	1.9
83.04975	27.8
83.08614	31.6
85.02904	36.5
85.06542	6.5
87.04445	1.6
91.03964	9.1
91.05479	87.4
92.06261	1.5
93.07040	63.3
95.01341	1.7
95.04347	1.3
95.04964	44.3
95.08602	45.2
97.02895	16.2
97.06523	25.2
97.10170	17.0
98.07323	2.7
99.04445	3.8
99.08071	2.6
103.05457	2.6
105.04500	4.5
105.07025	65.2
107.04947	18.3
107.08589	41.0
107.09332	1.1
109.02882	4.8
109.06517	12.5
109.10153	31.8
111.04427	4.6
111.08072	15.7
113.06007	3.8
113.09566	1.4
115.05444	2.7
116.04700	4.1
117.07016	17.6
119.08577	48.6
121.06489	7.8
121.10139	24.0
123.08077	10.3
123.11696	5.5
125.09634	15.6
127.03941	6.7
128.06252	2.5
129.05498	11.5
129.06992	16.0
130.07787	2.5
131.08554	33.1
132.09355	1.3
133.06502	6.5
133.10123	40.6
135.08073	6.2
135.11687	16.1
137.09596	12.3
139.07515	1.3
141.07019	2.5
142.07794	3.4
143.07048	3.6
143.08553	4.4
145.04945	4.0
145.06467	2.2
145.10126	20.3
146.10904	1.5
147.08083	3.8
147.11682	23.5
149.09607	27.6
149.13249	8.3
151.11194	4.9
153.09126	2.1
155.08569	2.7
155.10632	1.5
157.08620	6.3
157.10129	20.3
159.08037	2.1
159.11690	14.2
161.09628	4.4
161.13269	4.7
162.10403	1.3
163.06006	2.3
163.11174	13.7
165.09158	1.7
165.12743	5.5
167.10666	1.5
169.10182	3.3
170.17531	1.2
171.10258	2.5
171.11717	6.1
173.04411	2.6
173.09579	1.6
173.11717	7.6
173.13258	5.9
175.11182	20.1
177.12770	4.5
179.14297	3.5
181.12233	5.1
183.11719	3.8
185.08040	1.2
185.13304	2.4
187.11319	1.6
189.11183	8.1
189.12788	2.5
191.10608	2.3
193.12227	44.7
195.13820	4.3
197.13269	2.9
199.11385	1.3
199.13292	4.6
207.13698	1.2
209.11708	2.8
211.13277	55.0
215.14388	1.4
215.17966	1.3
223.13293	2.2
227.12740	15.0
229.14343	14.6
229.19481	2.8
239.17975	2.7
243.15933	4.0
247.20607	2.6
249.14798	1.7
253.14346	2.7
255.15796	10.9
257.19000	7.9
259.20551	1.9
267.15894	34.3
269.17450	11.5
273.18509	6.3
275.20087	32.9
283.15387	5.9
285.16934	40.6
291.19455	11.1
293.21069	3.3
299.14911	2.7
301.16455	28.6
321.24374	1.3
331.22650	1.8
347.21948	1.3
349.23706	36.9
363.21674	1.6
365.23221	4.8
367.24335	1.2
373.18799	1.4
381.22589	2.9
393.26544	1.8
403.24918	1.8
409.25806	2.4
411.26926	1.8
421.26068	10.0
423.27402	6.3
435.27426	2.5
439.26953	27.1
447.27451	4.6
453.28494	6.3
461.28983	3.9
463.30484	3.9
465.28232	5.9
477.28375	4.9
479.30103	6.3
481.27921	7.5
495.29410	20.7
507.29382	1.5
541.35095	18.4
557.34619	4.3
558.35565	1.8
559.36316	42.6
575.35767	20.6
577.37616	6.1
593.36597	5.1
719.39532	1.4
808.93689	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	952.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	43.5
69.03433	3.0
69.07079	13.4
69.70865	5.8
71.04988	9.8
73.02953	3.4
79.05500	33.0
81.03419	31.6
81.07056	50.0
83.04979	4.6
83.08621	12.3
85.02899	6.4
85.06536	3.3
91.03955	4.0
91.05483	36.0
93.07042	37.5
95.04958	14.8
95.08611	23.4
97.02906	5.1
97.06542	7.9
97.10184	10.1
98.23418	2.3
99.04478	2.4
105.07034	30.4
107.04958	5.9
107.08604	18.7
109.06526	5.4
109.10139	13.1
111.08088	2.3
117.07034	14.3
119.08598	23.5
121.06532	3.3
121.10149	15.8
123.08102	2.4
123.11755	4.6
125.09644	7.5
128.06241	3.5
129.07024	9.0
131.06996	2.3
131.08588	18.6
133.06503	2.5
133.10124	27.0
135.08075	4.2
135.11765	10.9
141.06969	2.8
142.07817	3.2
143.08583	8.8
145.10115	15.3
147.08122	2.5
147.11682	11.6
149.09605	5.5
149.13246	4.8
151.11214	3.8
155.08588	5.6
157.10112	9.6
159.11647	11.1
161.13216	5.2
163.11137	3.3
169.10190	4.4
171.11711	7.1
173.13284	5.9
175.11226	2.6
175.14861	3.9
181.10083	2.8
183.11699	3.1
185.13271	5.7
187.14836	2.4
189.11214	2.9
189.12688	2.4
193.12265	5.1
195.11673	3.2
199.14844	2.6
209.13284	2.3
215.14215	3.2
217.16042	2.2
222.38069	2.0
227.12869	6.8
229.14345	2.4
259.20532	4.8
267.15900	14.3
269.17358	4.2
275.20193	4.2
299.23862	4.7
301.19833	3.0
313.95001	2.5
333.24350	5.2
349.23917	2.8
417.27271	2.4
421.25879	8.2
433.30960	6.3
435.27554	7.7
437.29190	2.7
449.28839	4.2
451.31876	9.2
463.30496	5.9
495.32935	6.3
507.34320	3.1
517.34998	7.8
525.35809	41.4
543.36780	100.0
557.37988	8.0
575.39587	19.9
687.41260	4.0
905.95343	2.2
952.41754	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	954.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.8
69.59978	0.4
69.60320	0.1
71.01350	0.2
71.04989	0.4
73.02901	0.6
79.01849	1.7
81.03414	2.8
85.02905	1.2
87.04462	0.2
91.05485	0.3
93.28685	0.1
97.02891	1.4
98.22826	0.2
99.04462	0.7
101.02357	0.2
101.03999	0.2
103.05463	0.5
107.01308	0.4
108.04441	0.2
109.02869	2.5
119.04932	0.3
125.02325	0.9
127.03915	3.6
129.03354	0.4
131.04918	0.5
143.03395	2.6
145.02913	0.3
145.04970	0.4
147.04393	0.9
153.01826	20.8
153.02942	1.8
157.02821	0.9
161.02281	0.2
163.03943	0.3
173.02304	0.7
175.03897	1.6
179.03419	0.1
185.02286	1.0
187.03889	4.0
191.03471	0.8
197.05841	0.2
201.01855	1.8
202.02455	0.2
203.03389	2.9
205.01294	0.1
213.01807	3.5
213.05240	0.2
215.03374	3.6
217.01408	0.1
219.02805	0.6
221.04378	0.1
229.01352	1.9
230.02013	0.2
231.02875	17.7
232.03374	0.1
233.04486	0.2
237.05460	0.4
239.03447	0.1
241.01302	2.9
241.04974	0.2
247.02379	2.9
253.04948	0.4
257.00800	2.9
259.02380	29.4
260.02777	0.4
261.03864	0.7
265.05127	0.3
267.02737	0.2
269.04495	0.2
271.02573	0.1
273.00314	0.2
275.01859	4.7
276.02637	2.5
277.03415	100.0
278.03799	0.8
281.04364	0.4
283.06067	0.2
285.00320	2.3
285.03345	0.2
287.01880	0.3
289.03384	1.0
295.02365	0.2
297.03848	0.5
299.01852	0.3
301.03284	0.3
302.00436	0.3
303.01340	46.3
304.01550	0.4
309.03964	0.3
311.05292	0.2
313.03381	0.7
315.01431	1.5
315.04944	0.3
321.02332	3.5
323.01703	0.2
327.04980	0.4
328.99219	1.5
329.02795	0.2
329.06668	0.2
337.03186	0.2
339.01208	0.2
339.04990	0.6
341.02869	0.5
343.04462	0.3
345.02420	0.6
353.02869	0.2
355.00742	0.3
355.04492	1.1
357.05920	0.8
359.03735	0.2
363.03574	0.5
365.02740	0.3
367.04483	1.1
369.02408	0.3
371.03897	0.2
373.05579	0.2
381.02408	0.3
383.03885	1.2
385.05579	1.8
387.03494	0.7
393.02429	0.2
399.03473	0.4
401.05179	1.3
403.06766	0.2
405.04965	0.1
411.03461	1.7
427.02686	0.4
429.04507	2.6
447.05557	5.1
453.00836	0.4
455.02621	0.1
465.06665	4.2
767.07166	1.6
785.08423	0.8
810.20746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	48.6
69.07079	11.2
70.65771	2.2
73.02927	3.0
73.50411	2.0
75.90208	2.4
79.05499	35.9
81.07056	50.7
83.04987	2.3
83.08630	9.1
85.02908	15.8
89.19154	2.0
91.03976	14.3
91.05487	24.9
93.07056	33.8
95.05004	4.2
95.08615	42.6
97.02928	8.4
105.04485	2.6
105.07024	15.7
107.08619	23.4
109.06499	2.9
109.10168	21.3
114.38595	2.2
117.07005	6.6
119.08601	16.0
121.10157	15.7
123.11726	9.4
127.03954	3.1
129.06987	3.4
131.08571	10.9
133.10138	12.9
135.11665	14.6
145.04970	8.9
145.10146	8.3
147.11696	7.8
149.13289	12.4
159.11687	9.6
161.13280	11.5
163.05983	10.5
163.14877	6.7
169.02081	2.2
173.13275	8.7
175.14856	5.7
185.13271	3.2
187.14761	3.7
199.14844	2.8
241.19598	6.4
243.21114	7.7
259.20618	9.7
261.22192	17.7
317.24780	2.8
333.24219	9.2
335.25818	100.0
337.27466	11.9
357.01859	2.4
595.47498	17.6
613.48291	32.3
645.27942	2.6
958.83649	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	956.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78143	0.1
68.99776	0.1
69.03426	0.7
70.20031	0.1
70.20369	0.2
70.78176	0.1
71.04988	0.1
76.91497	0.1
79.01851	5.5
81.03410	0.8
85.02896	0.2
97.02888	1.7
99.04456	0.3
103.05466	0.1
107.01311	1.4
109.02871	1.5
111.04456	0.2
115.05475	0.1
123.00777	0.3
123.04357	0.1
125.02347	2.8
126.03160	0.1
127.03912	5.5
131.04918	0.3
133.02905	0.1
139.03944	0.1
141.05438	0.2
143.03394	6.4
145.02853	0.1
145.04955	1.7
147.04401	0.2
153.01823	100.0
153.02872	5.0
154.02180	0.7
157.05042	0.1
159.04376	0.7
163.03857	0.5
166.05013	0.1
167.03384	5.2
171.02914	0.3
171.04311	0.1
173.02332	0.1
175.03900	0.3
177.05438	0.4
179.03386	0.5
185.02426	0.1
185.04395	0.7
187.03897	0.9
189.05472	0.4
191.03421	0.6
201.01834	0.4
203.03462	0.4
205.04971	1.3
207.02948	0.5
209.04446	0.3
213.01761	0.4
215.03363	0.9
217.04990	0.3
219.02847	0.4
221.04449	0.3
223.02405	0.2
229.01341	0.4
231.02885	2.3
233.04437	2.5
235.02287	0.1
237.03909	0.6
241.01297	0.3
243.02876	0.1
247.02423	0.8
249.04291	0.1
257.00827	0.8
259.02374	4.7
261.03955	3.4
267.05048	0.1
275.01871	2.3
276.02692	0.4
277.03424	17.7
278.03854	0.2
279.04993	2.3
285.00378	0.7
295.04550	0.1
297.06039	0.9
303.01334	13.2
304.01755	0.1
311.07495	0.3
321.02240	0.6
325.53098	0.1
329.08658	1.9
363.03497	0.2
385.05698	0.5
403.06689	0.2
411.03250	0.2
429.04437	1.0
437.81427	0.1
447.05630	1.2
455.02539	0.2
465.06604	0.3
467.08026	0.1
563.46948	0.1
598.97308	0.1
599.06677	2.2
769.09088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	0.1
69.03423	0.3
69.17654	0.2
79.01850	5.5
80.02172	0.1
81.03426	0.4
95.01334	0.1
97.02890	0.9
107.01312	1.2
108.04457	0.1
109.02874	1.1
115.13985	0.1
119.71404	0.1
121.82436	0.1
123.00773	0.2
125.02347	2.9
127.03915	2.6
131.04904	0.3
133.50703	0.1
143.03395	6.8
144.04922	0.1
152.73915	0.1
153.01820	100.0
153.02861	5.1
153.29256	0.1
154.02130	0.5
157.90750	0.1
159.04347	0.4
163.03922	0.1
165.01884	0.1
177.05461	0.3
181.01323	0.3
183.02905	0.1
187.03912	0.2
191.03490	0.1
197.00859	0.1
202.51016	0.1
205.04947	0.6
207.54489	0.1
215.03386	0.2
217.04980	0.3
233.04436	1.9
243.02870	0.4
261.03964	2.8
279.04987	4.0
305.02896	2.9
405.01898	0.1
431.05960	0.5
449.06992	0.3
619.09332	0.1
771.10352	2.5
900.95508	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	968.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	61.9
69.03431	9.4
69.07072	26.1
69.95121	1.5
71.04992	6.6
74.14970	1.7
79.05039	2.9
79.05499	49.7
79.31267	1.8
81.03419	79.3
81.07060	65.7
83.04977	10.1
83.08625	29.4
85.02912	11.3
85.06533	4.8
91.03956	2.8
91.04939	3.1
91.05486	47.9
91.06056	2.3
93.07044	47.3
95.01347	2.5
95.04974	41.3
95.05599	2.1
95.08611	26.5
97.02887	6.8
97.06543	14.0
97.10173	18.9
99.08109	2.1
105.04507	2.1
105.07031	42.0
107.04955	14.1
107.08602	38.4
109.02856	3.6
109.06532	9.4
109.10159	19.6
111.04432	2.3
111.08076	12.1
113.09612	1.6
115.05470	3.4
117.07025	14.4
119.04913	2.5
119.08588	30.4
121.06509	9.0
121.10152	20.3
123.04432	2.8
123.08070	8.6
123.11718	5.4
125.09651	14.1
127.03918	5.5
128.06233	2.1
129.05502	2.4
129.06999	14.9
131.08575	25.2
133.06509	6.4
133.10129	24.0
135.08051	5.2
135.11708	15.0
137.09633	3.6
141.06996	4.2
142.07788	4.3
143.08591	9.0
145.04970	1.7
145.06453	5.1
145.10133	16.0
147.04410	2.0
147.08026	7.9
147.11699	14.3
149.09633	13.3
149.13249	8.3
151.11168	2.3
155.08560	3.7
157.10115	15.2
159.08138	3.1
159.11693	14.7
161.09662	3.1
161.13252	3.6
163.11157	10.8
165.12698	3.5
167.08594	2.9
169.10129	4.3
171.11694	6.1
173.04460	2.8
173.09608	2.6
173.11827	1.7
173.13219	3.7
175.11203	10.7
177.12723	5.2
181.10100	1.7
181.12311	2.1
183.11679	4.9
185.13263	3.0
187.11159	3.3
187.14864	2.1
189.09077	1.5
189.11252	7.9
189.12666	2.3
191.10718	1.7
193.12234	22.2
195.11769	1.7
195.13846	2.6
197.13313	2.9
199.14760	2.3
201.12738	2.5
203.14458	1.9
211.13239	3.9
217.15944	2.2
227.12779	14.3
229.14371	4.9
229.19354	1.9
229.73712	1.6
233.15535	2.8
235.13222	2.7
245.13728	2.1
249.14783	2.6
255.15921	12.8
255.30676	1.8
257.19086	2.6
261.15219	1.8
267.15915	80.4
269.17529	24.5
273.18484	3.2
275.20093	20.7
291.19528	3.3
293.21112	2.0
297.02524	1.6
299.20230	1.7
301.14294	4.5
319.15237	2.0
322.23071	1.6
330.50571	1.6
331.22711	2.0
349.23749	22.4
355.22696	1.7
365.23135	2.0
367.24588	4.4
369.24130	2.8
387.25391	1.9
421.25916	7.7
431.29181	1.6
435.27548	2.6
443.27817	7.4
445.29694	1.7
447.27405	37.5
449.30331	3.2
459.27515	2.8
461.28983	100.0
465.28534	2.2
467.31671	3.6
475.30643	2.1
477.28424	2.2
479.30057	3.8
493.31873	15.5
501.32376	3.6
503.30554	1.9
523.34155	3.4
541.35248	82.0
542.35986	1.7
557.30853	2.9
559.36340	39.8
569.30939	4.5
583.35522	2.9
587.31946	4.4
591.38721	6.1
605.33020	2.6
649.36859	3.2
667.38867	3.7
685.39105	2.3
703.40082	3.1
859.45581	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	969.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96568	0.2
69.03413	0.4
69.38017	0.3
69.38308	0.9
71.04980	0.2
71.50107	0.2
71.95258	0.2
77.63669	0.2
81.00203	0.3
81.03410	0.2
84.96030	0.2
85.02880	0.6
93.71690	0.2
97.02882	0.2
98.23432	0.3
98.97575	39.0
100.99133	3.5
109.02877	0.2
110.97569	0.7
114.08202	0.2
116.98612	14.8
119.00182	1.1
124.99069	1.7
128.98608	0.8
134.99644	3.1
140.00159	0.3
140.98611	0.2
141.02213	0.5
143.00151	7.7
146.99648	0.3
151.00722	0.5
152.98587	0.3
153.00737	0.2
153.01851	0.5
158.01199	0.2
158.99649	5.4
159.00960	0.4
159.03290	0.3
161.01213	10.7
169.01704	5.7
169.03105	0.3
170.99677	0.5
177.00690	4.3
179.02254	1.9
181.01723	0.4
182.99660	0.2
184.02788	0.2
185.01198	2.4
185.04858	0.5
187.02771	21.7
189.00708	0.5
195.01697	0.2
199.02789	0.5
201.00652	0.6
203.02255	4.5
203.05864	0.6
205.03830	14.0
206.04323	0.2
210.04399	0.3
211.02762	38.2
212.03119	0.4
219.01767	3.5
221.03368	0.6
223.02930	0.2
223.04837	0.8
229.03818	100.0
230.04053	0.6
233.03358	0.4
237.02780	3.3
241.03896	0.7
245.05272	0.3
245.07494	0.2
247.04878	41.5
248.05316	0.3
249.08105	0.2
252.05490	1.1
259.02316	0.5
259.04938	0.8
261.02689	0.9
263.04440	0.3
265.05972	2.6
268.05466	0.4
269.07037	0.2
270.06482	0.8
271.04858	5.0
271.07660	0.3
277.03412	1.0
279.03909	0.9
280.05316	0.2
289.05927	8.2
289.30353	0.2
303.00980	0.2
307.07043	0.4
330.10825	0.4
330.61008	0.3
331.07001	1.2
331.10876	0.2
341.09067	0.4
345.02304	0.2
349.08026	9.4
349.58224	0.3
367.09073	9.6
391.09079	1.1
409.10117	4.6
427.02982	0.7
443.12024	0.2
445.03912	0.2
451.11346	0.2
453.00940	0.9
461.13379	2.1
469.12332	1.2
471.01907	0.5
479.14355	5.4
497.15393	4.2
504.14285	0.7
511.13409	0.5
529.14459	0.6
539.16406	0.4
641.19501	7.8
659.20624	72.4
660.21039	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	970.116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.6
71.04982	0.4
71.24358	0.3
80.72799	0.3
81.03046	0.4
81.03422	3.9
83.00938	0.4
83.01344	4.2
85.02921	1.9
91.05469	0.4
95.01326	0.5
97.02866	1.1
98.22958	0.4
99.04427	1.2
101.02353	0.4
103.05445	0.6
109.02885	2.9
111.00780	1.5
113.02370	0.4
123.00758	0.9
124.55140	0.3
127.03926	1.8
129.03369	0.5
131.04893	0.7
138.99266	0.5
139.00269	5.9
145.04977	0.7
147.04379	0.5
153.01837	1.6
157.01454	0.6
157.02814	1.2
161.02287	0.4
163.03941	0.6
166.99744	0.6
169.01341	2.0
170.53589	0.3
171.04385	1.1
173.02390	0.5
175.03926	1.6
177.01907	0.3
185.00847	6.7
185.02373	1.1
186.01582	0.6
187.03886	3.9
189.01836	0.6
190.02522	0.4
191.03409	0.7
199.03917	1.1
201.01828	1.3
201.44714	0.3
203.03368	3.4
204.04205	0.5
205.01251	0.7
213.01863	3.5
214.02530	0.4
215.03409	5.5
217.01335	0.7
219.02888	0.8
229.01306	1.7
230.02307	0.4
231.02896	17.9
232.03604	0.5
239.03470	0.4
241.01317	3.8
241.05032	0.6
243.02930	2.4
245.00830	0.7
247.02371	1.9
251.03392	0.7
257.00800	3.0
257.04550	0.4
259.02396	34.9
260.03189	7.4
261.03961	18.7
267.02853	0.8
269.04453	1.4
271.02200	0.4
273.00253	1.3
275.01840	4.5
276.02722	1.3
277.03445	100.0
278.03732	0.9
279.02792	0.6
281.04437	0.4
285.00333	2.2
285.03873	0.9
286.01105	2.0
287.01889	8.1
289.03473	1.0
291.01382	0.8
295.02402	1.0
297.03949	2.3
299.01807	0.5
300.99796	1.7
301.02966	0.3
302.00656	1.8
303.01367	34.3
304.01532	0.5
305.00809	0.4
307.02588	1.1
312.99765	1.3
313.03467	2.2
315.01404	2.8
315.04773	0.7
321.02386	2.4
323.01889	2.8
325.03281	1.9
328.99289	4.1
329.03024	1.1
335.01816	0.6
337.03384	0.8
339.01349	0.4
341.03204	1.6
342.03589	0.4
343.04486	1.4
345.02451	0.8
351.01434	1.7
353.02948	3.2
355.04468	0.7
363.01331	0.8
365.03009	0.7
367.04565	0.8
368.01413	0.5
369.02390	2.6
371.03958	1.8
379.00876	3.5
381.02472	4.4
383.03989	0.6
385.05557	1.4
387.03506	2.2
391.00967	0.5
397.01974	4.0
399.03558	1.3
407.00308	7.5
409.02051	1.9
411.03497	1.4
425.01276	2.5
426.02170	1.1
427.02994	64.4
428.03250	1.0
429.04535	2.2
434.99844	5.1
435.05118	0.6
444.03525	1.0
444.97830	0.8
445.04062	15.3
447.05637	1.0
453.00922	96.5
454.01334	1.4
465.06708	2.7
471.01999	57.4
472.02710	0.5
483.07425	1.3
513.02948	0.5
555.03992	0.4
571.06897	0.5
597.05139	4.0
615.06195	19.6
616.06171	0.7
633.07294	8.5
917.05353	0.5
935.07941	4.9
953.09399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.3
69.57256	1.1
79.01854	5.1
81.03425	2.5
83.01321	1.0
85.02882	0.5
93.63364	0.3
94.42754	0.2
95.01360	0.4
97.02879	1.7
107.01321	1.4
109.02882	2.2
111.00792	0.3
113.02346	0.5
123.00787	0.4
125.02363	3.2
125.47146	0.3
127.03918	4.5
131.04886	0.6
139.00253	1.4
143.02356	0.2
143.03391	6.1
147.04410	0.4
153.01826	100.0
153.02898	5.6
154.02170	0.8
156.54250	0.2
159.04405	0.6
161.02409	0.5
163.03900	0.7
169.01329	7.6
171.02901	0.6
171.04356	0.6
173.02325	0.3
175.03900	0.6
177.01730	0.4
177.05440	0.5
177.94043	0.3
185.00839	1.7
185.02263	0.4
186.01596	0.8
187.03877	0.3
189.01863	1.2
189.05426	0.5
191.03368	1.5
195.03030	0.3
197.00783	0.8
197.06032	0.4
199.03882	0.4
201.01804	0.9
203.03403	0.9
204.04210	0.3
205.04985	1.1
207.02806	0.5
209.00841	0.5
209.04433	0.5
213.01968	0.4
213.05548	0.7
215.03397	0.8
217.01347	1.9
218.02094	0.8
219.02922	1.2
223.04013	0.4
229.01349	1.5
230.02074	0.5
231.02831	2.7
232.03624	0.8
233.04404	2.2
237.03920	3.5
241.01274	0.5
241.04999	0.8
243.02907	0.9
245.00833	3.2
247.02319	0.4
251.03455	0.7
255.02782	0.3
257.00775	3.4
258.01443	0.6
259.02359	2.8
259.05191	0.4
260.03152	5.4
261.03949	7.7
267.02838	0.4
269.04404	2.0
275.01837	2.3
276.02713	1.0
279.05222	1.7
281.04410	0.6
283.02365	0.4
285.00375	2.7
285.03561	0.5
286.01068	1.4
287.01910	9.7
287.05386	0.9
297.03830	3.0
297.06201	3.1
300.02640	0.5
303.01349	1.2
305.02997	0.8
307.02283	1.2
309.04013	0.4
311.01913	0.4
313.03317	0.4
315.07544	1.4
323.02011	0.9
325.03378	3.6
329.02798	0.6
335.01822	0.9
337.03397	1.0
341.02942	0.4
343.04416	1.5
347.04117	0.6
351.01447	0.6
353.02927	4.2
357.02380	1.0
363.01288	1.1
365.02957	0.7
369.02383	1.2
371.03964	5.5
379.00705	1.2
380.02005	0.4
381.02396	16.0
383.03836	1.4
388.99246	0.5
391.00839	0.8
397.01776	0.9
399.03491	4.2
407.00357	1.8
409.01932	8.1
409.07413	0.4
410.02594	0.9
425.01501	1.3
426.02353	0.3
427.02963	63.6
428.03323	1.3
434.99887	0.6
444.03079	0.4
445.04001	5.8
449.07025	0.7
449.78717	0.3
453.00919	10.9
454.01270	0.3
467.08252	2.7
471.01944	17.0
513.03052	1.5
531.03510	0.4
579.03815	0.5
597.05005	2.0
615.06256	2.0
623.02728	0.7
644.18835	0.3
749.05933	0.8
767.07227	4.4
785.09052	1.4
842.56952	0.3
919.07709	0.3
937.09125	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	972.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99775	1.3
69.03423	3.5
70.44794	0.5
71.04971	0.5
77.03046	0.3
79.01850	6.1
81.03419	5.4
83.01337	7.6
85.02919	1.8
95.01327	1.2
97.02894	5.8
99.04455	1.9
107.01320	1.9
109.02875	7.4
111.00790	2.9
112.81104	0.3
115.05450	0.4
123.00795	1.6
125.02332	3.3
127.03902	7.1
137.02333	0.5
137.92616	0.3
139.00253	10.9
143.03400	6.8
145.04956	5.2
147.04387	0.6
153.01822	99.7
153.02905	6.3
154.02145	0.5
157.01341	1.9
157.02512	0.3
159.04411	0.8
161.02301	0.4
166.99805	1.1
167.75670	0.3
169.01341	4.3
171.02898	4.0
171.04425	1.9
173.02339	0.5
175.03853	0.7
176.04642	0.4
177.01848	0.6
185.00816	10.8
186.01598	1.7
186.03061	0.6
187.02362	0.7
187.03903	1.1
189.01868	0.7
190.02652	0.5
191.03333	0.8
195.02882	0.5
195.04567	0.4
199.03923	1.8
201.01825	0.8
203.03400	1.6
204.04169	1.4
205.01321	1.3
213.01796	0.5
213.05380	0.7
214.02620	0.4
215.03381	4.3
217.01320	0.9
218.02144	0.4
219.02960	0.8
220.60213	0.3
222.50093	0.4
223.03920	0.3
228.00758	0.3
229.01308	0.9
230.01965	0.4
231.02884	4.7
232.03603	1.1
233.04393	0.5
239.03406	0.7
241.01347	0.7
241.05017	1.2
242.02031	0.4
243.02861	3.7
245.00777	1.1
246.01486	0.7
247.02388	1.9
251.03421	0.8
253.05006	0.6
257.00854	1.6
257.04462	0.4
258.01511	0.6
259.02374	7.1
260.03156	12.3
261.03943	26.2
267.02930	1.0
269.00845	0.3
269.04510	2.0
273.00320	2.4
275.01840	3.7
276.02713	1.1
277.03470	0.4
279.02609	1.0
279.05280	0.5
281.04462	0.5
285.00354	0.6
285.03894	0.9
286.01056	3.7
287.01868	12.0
287.04910	0.4
291.01495	1.0
295.02399	1.4
296.02988	0.4
297.03372	3.5
297.06345	1.4
299.01569	0.4
300.99753	2.6
302.00577	3.4
303.01276	2.1
305.00793	1.1
307.02216	1.6
309.03854	0.5
311.01883	0.4
312.99744	1.4
313.03448	2.8
315.07260	4.1
323.01779	3.9
324.02695	0.5
325.03412	2.8
327.01410	0.6
327.05023	0.3
328.99341	3.7
329.02887	0.5
333.00153	0.5
335.01926	1.0
337.03433	1.4
339.86542	0.4
341.02884	2.1
342.03571	1.4
343.04501	2.4
351.01251	2.1
352.02151	0.6
353.02881	6.4
360.99814	0.5
363.01257	1.4
365.02927	0.5
369.02319	3.4
369.06424	0.4
370.03256	0.7
371.04001	2.6
379.00839	6.7
380.01599	1.4
381.02396	8.4
383.00171	0.7
391.00876	0.5
397.01898	5.2
398.02707	0.8
399.03384	1.6
407.00351	8.3
408.01340	0.5
409.01920	3.5
410.02551	0.5
411.03424	0.8
425.01450	2.0
426.02023	3.0
427.02951	82.9
428.03281	1.1
434.99808	6.3
437.01370	0.5
443.02502	0.4
444.03238	8.9
444.09372	0.5
445.03979	18.2
447.65048	0.4
453.00867	100.0
454.01147	1.2
471.01938	65.3
472.02237	0.9
489.03000	0.7
507.05304	0.4
520.18823	0.3
535.05084	0.7
553.05804	1.7
561.02887	0.6
567.03687	0.5
579.04315	1.5
597.05048	10.4
614.22589	0.3
615.06104	36.1
616.06714	0.6
623.02472	1.0
767.07220	3.5
785.08246	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	972.168
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.2
69.03421	0.3
69.37900	0.3
79.01852	8.1
81.03416	0.6
81.35536	0.1
85.02901	0.1
95.01354	0.1
97.02890	1.6
103.05479	0.1
107.01317	1.8
107.02000	0.1
109.02864	0.1
112.01649	0.1
116.19482	0.1
123.00756	0.3
125.02344	3.8
127.03908	0.1
130.01389	0.1
131.04929	0.3
141.17964	0.1
143.03394	8.5
147.04420	0.1
152.01045	0.3
153.01823	100.0
153.02885	6.4
154.02193	0.2
157.04967	0.1
159.04378	0.7
162.03055	0.1
163.03850	0.1
167.03357	0.6
171.04404	0.1
175.03963	0.4
176.04697	0.4
177.01765	0.1
177.05486	0.2
179.03391	0.2
180.00520	0.9
181.05000	0.2
186.02998	0.1
187.03874	0.8
190.02617	0.1
191.03410	0.6
191.06929	0.1
192.04131	0.1
193.01369	0.1
193.04912	0.1
195.02878	3.7
197.04506	0.2
199.04016	0.1
201.05322	0.1
203.03436	0.1
204.04106	0.4
205.04980	0.6
207.02893	0.2
207.06528	0.3
209.04469	0.8
211.02312	0.1
213.03935	0.3
215.03345	0.7
216.04094	0.3
218.02057	0.1
219.03230	0.1
219.06520	1.0
221.04437	0.2
223.06082	0.2
229.04918	0.2
231.02924	0.2
231.06526	0.1
232.03647	0.4
233.04424	0.7
237.03918	0.3
243.02875	0.3
245.00790	0.1
245.04381	0.1
247.06006	2.0
251.05501	1.6
255.05019	1.0
257.04385	0.3
259.02374	0.1
260.03168	0.9
261.04037	0.1
263.05484	0.3
275.05490	6.8
293.06537	2.3
305.02911	1.9
305.06494	0.1
311.07782	0.1
327.18185	0.1
333.05954	0.2
364.28070	0.1
385.05688	0.1
403.06619	1.6
407.06088	1.2
427.06631	0.2
445.07700	2.2
453.00824	0.1
463.08691	1.3
481.09567	0.3
559.06921	0.2
597.09332	0.1
615.09747	2.9
633.10883	1.1
767.10223	0.2
785.11829	2.5
937.13196	1.6
938.50232	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	975.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98830	0.7
69.37498	3.4
73.40332	0.8
74.25249	0.7
83.01350	0.7
88.01099	0.7
95.28242	0.7
115.88163	0.7
153.01886	2.3
164.66724	0.8
189.98865	1.8
203.03506	1.0
215.03487	1.0
227.00485	1.0
231.03020	2.1
232.03229	1.0
259.02448	4.4
260.02936	1.4
261.03461	1.3
262.04352	1.2
277.03415	6.7
278.03891	3.7
279.04077	3.5
280.04550	1.1
289.02219	1.7
303.01471	1.6
305.01715	1.3
307.03064	0.8
317.01608	1.4
335.02579	1.8
345.01727	1.2
349.93039	0.8
363.02039	1.4
379.01605	2.2
403.01471	1.2
409.01202	1.0
411.01669	1.2
427.03207	1.3
428.03461	2.4
429.03482	3.0
430.04126	2.1
431.04364	1.3
449.00269	1.1
453.01218	2.1
454.01279	2.5
455.01865	2.4
456.02151	2.7
457.02533	2.0
464.99481	1.0
467.01547	2.3
473.02731	1.6
474.02829	1.0
475.03345	1.0
485.01825	4.8
493.00211	2.6
503.03149	1.1
505.06006	2.4
510.99939	9.0
529.01563	2.8
553.01465	3.0
556.55139	0.9
571.02667	1.6
618.07678	1.6
673.06708	2.3
691.05981	3.7
798.35107	1.0
975.07147	100.0
976.06897	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	978.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.2
69.49942	0.3
69.50323	0.4
71.73455	0.2
79.01855	3.7
79.05486	0.2
85.02398	0.2
85.02908	4.1
91.05486	0.1
97.02878	0.8
103.03950	0.9
107.01305	0.8
107.04905	0.2
109.02905	0.2
119.04926	0.3
123.00767	0.3
125.02352	2.0
125.05968	0.2
127.03922	0.4
131.04950	0.5
133.02853	1.2
138.03178	0.4
143.03400	4.7
145.02878	0.2
147.04417	0.6
149.02396	0.3
149.93045	0.1
150.03134	1.2
151.03963	0.3
153.01828	100.0
153.02872	4.9
154.02142	0.5
159.04413	1.3
162.03125	0.4
163.03912	0.4
165.05472	0.5
166.02618	0.4
167.03418	0.2
171.02875	0.4
171.04430	0.4
173.02312	0.3
175.03928	0.8
176.04625	0.8
177.01849	2.8
177.05461	1.0
178.02632	0.3
179.03403	1.0
180.00531	0.3
181.04962	7.5
186.03117	0.2
187.03918	1.2
188.04860	0.2
189.05339	0.2
190.02563	0.3
191.03400	2.2
191.07013	0.3
192.04306	0.3
193.04910	1.2
194.02126	1.0
195.02867	1.5
197.04427	1.5
199.03952	0.9
201.05386	0.2
203.03384	0.2
204.04146	1.0
205.04958	2.7
206.02115	0.2
206.05319	0.2
207.02936	0.5
207.06572	0.3
209.04449	13.0
210.04756	0.3
213.03931	5.4
214.02542	0.2
215.03416	0.9
216.04184	0.6
218.02068	0.3
219.02925	0.4
219.06526	1.9
221.04437	2.6
223.06067	0.5
229.04985	0.6
231.02875	0.4
231.06615	0.3
232.03627	0.7
232.46021	0.1
233.04442	3.9
235.06082	0.4
237.03955	0.6
238.66107	0.1
243.02914	0.7
245.04567	0.4
247.06009	3.2
249.04028	0.4
251.05487	3.6
255.02568	0.1
255.05005	2.8
255.07492	0.2
257.04468	1.3
260.03143	1.3
263.05515	3.5
263.08154	0.3
273.06018	0.4
275.05502	10.2
276.06018	0.1
281.06601	0.8
293.06549	11.8
311.07611	3.3
329.08536	0.2
445.07626	0.9
449.79648	0.2
463.08737	1.5
481.09772	29.0
482.10199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	9.6
69.07067	30.8
69.88247	7.2
70.20258	2.6
71.04327	2.4
71.04987	8.1
77.46309	1.9
79.05495	66.2
81.03420	90.2
81.03903	5.2
81.07058	66.3
83.04979	18.4
83.08627	22.5
85.02901	10.1
85.06544	6.4
87.04506	3.8
91.03954	4.7
91.05479	66.5
93.07047	52.7
95.04972	47.1
95.08614	38.8
97.02884	7.0
97.06518	16.3
97.10168	13.8
99.04499	2.9
99.08077	4.6
103.05444	2.1
105.04524	6.3
105.07032	45.7
107.04942	18.0
107.08594	35.8
109.02853	3.9
109.06534	10.7
109.10158	44.0
110.42584	2.1
111.08089	10.7
115.05474	3.6
117.07010	17.0
119.04954	2.4
119.08582	36.3
121.06512	11.3
121.10157	24.0
123.04404	3.2
123.08062	6.2
123.11726	3.2
125.09595	10.5
127.03937	3.2
128.06223	4.1
129.05554	3.5
129.07007	16.2
130.07867	2.5
131.04922	3.2
131.08589	24.1
133.06517	7.9
133.10118	27.4
135.08064	9.7
135.11688	14.6
136.30701	2.3
137.09622	13.1
141.07021	3.0
142.07799	4.3
143.08643	4.7
145.06491	7.6
145.10138	19.3
147.08051	3.4
147.11691	18.6
149.09615	22.8
149.13245	5.1
155.08565	2.6
155.10657	3.5
157.10123	16.8
159.08072	4.1
159.11705	10.5
161.09622	2.9
161.13235	3.6
163.11169	13.0
165.12877	2.4
171.11722	2.7
173.09570	3.5
173.11823	12.6
173.13159	4.0
175.11197	13.3
177.12750	4.6
181.12238	4.1
184.07532	2.4
187.11203	4.3
187.13126	2.9
189.11188	5.0
193.12219	32.3
195.13670	3.3
197.15430	3.0
199.14972	3.2
203.14357	3.0
211.13289	5.6
223.13298	2.8
225.14803	3.9
227.12820	10.2
229.14328	47.4
229.16360	3.7
243.16112	3.0
249.14874	5.6
251.16159	2.5
255.15819	10.6
259.15485	3.7
267.15918	100.0
269.17523	5.7
273.18530	5.2
274.04141	2.5
275.20108	14.1
285.17023	4.2
291.19501	10.7
301.14276	3.6
329.21310	4.4
347.22299	2.9
349.23907	18.4
403.24643	7.7
421.25809	44.4
423.27399	5.6
429.26593	3.1
435.27533	11.8
445.29620	2.8
447.27457	32.4
461.28864	6.5
477.28592	3.3
503.33740	3.1
509.31128	2.8
541.27222	3.8
541.35181	51.2
557.34625	7.7
559.36212	20.1
607.34961	3.2
835.59338	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	984.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06685	3.1
69.07026	15.7
71.05004	1.2
77.03927	1.1
79.05490	23.4
79.05949	1.4
81.03435	2.3
81.07058	27.4
83.04977	3.5
83.08609	3.3
85.02892	1.3
91.05476	36.9
93.07043	22.6
95.01341	4.0
95.04962	4.9
95.08605	16.7
97.02911	1.0
97.06522	8.3
97.10164	1.6
98.22652	1.2
99.08112	1.2
102.41425	0.7
103.05486	1.7
105.04504	2.2
105.07029	48.2
107.04960	8.2
107.08592	12.3
109.06516	2.0
109.10177	5.4
111.08080	1.0
112.50789	0.7
115.05436	1.2
117.07010	10.1
119.08575	27.7
119.09427	1.6
121.06503	1.7
121.10134	6.9
123.08053	1.7
125.09596	0.7
129.05559	1.1
129.06984	3.5
130.07797	0.8
131.08568	13.7
133.06438	0.9
133.10127	27.8
135.08040	0.9
135.11711	5.2
137.09578	1.0
141.06964	1.5
142.07800	0.9
143.08568	4.4
145.06520	1.3
145.10109	11.5
147.11684	13.7
149.09572	3.4
149.13278	3.3
155.08565	1.0
157.10164	3.6
159.11673	7.6
161.13272	7.4
163.11214	2.6
163.14931	1.0
165.09172	1.1
169.10175	1.2
171.10423	1.0
171.11694	5.5
173.13179	3.6
173.90034	0.7
175.11229	0.8
175.14841	4.0
177.12747	2.2
179.14349	6.2
183.11784	1.2
185.13281	2.6
187.11172	1.5
187.14832	1.4
197.13249	1.3
199.14774	1.4
200.15759	0.9
201.12822	0.8
211.14958	0.8
229.19455	1.1
231.21140	1.0
241.14323	0.9
241.19479	9.4
241.21524	0.9
257.18927	3.8
259.20572	19.3
275.20056	38.1
277.21649	1.1
293.21188	2.2
315.23120	6.2
321.77750	0.8
333.24225	39.8
349.23715	39.1
351.25122	0.9
437.34225	1.1
508.96396	0.8
511.38071	1.5
513.35785	2.1
515.39063	1.3
533.40063	1.5
551.40485	0.8
607.43549	100.0
608.44019	2.4
625.44592	15.7
630.23682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.1
69.07070	8.8
71.04996	1.5
73.02911	2.0
77.03918	1.1
79.05494	26.7
81.03421	1.1
81.07061	25.5
82.59036	0.6
83.04991	1.3
83.08607	4.9
85.02900	6.0
85.06549	1.9
88.19916	0.6
89.49171	0.6
91.03967	4.2
91.05479	29.2
93.07050	27.2
95.04974	5.8
95.08606	22.3
95.09215	1.2
97.02898	3.5
97.06526	2.8
97.10167	1.8
99.04459	0.7
99.08104	1.3
103.05486	1.3
105.04520	1.8
105.07032	29.9
107.04957	1.6
107.08598	14.3
109.06557	1.2
109.10159	9.2
111.08081	1.4
115.05477	2.3
116.06246	0.7
117.07010	14.1
117.07792	1.0
119.08585	21.6
121.06529	0.7
121.10145	11.4
122.49445	0.6
123.08078	1.2
123.11735	2.9
125.09654	1.3
127.03922	2.0
128.06230	2.4
129.06992	10.0
130.07780	1.4
131.08572	19.3
133.10133	14.4
135.08087	1.4
135.11708	6.6
137.09569	0.8
137.13264	0.9
141.07024	4.1
142.07805	2.8
143.08553	10.1
144.09343	0.8
145.04984	2.3
145.10130	17.3
147.08093	0.8
147.11688	9.2
149.09654	0.7
149.13295	3.0
151.07521	0.7
155.08531	7.6
156.09332	0.9
157.10135	11.1
159.11690	10.5
161.09720	1.0
161.13232	5.4
163.06032	2.9
163.11238	0.7
163.14809	1.9
167.08582	3.2
168.09380	1.3
169.10121	9.8
171.11685	9.7
173.13240	8.0
175.11266	0.8
175.14845	2.0
177.16460	0.8
179.08644	0.9
181.10149	4.3
183.11668	8.7
185.13269	7.6
187.14790	3.5
189.16423	1.5
191.08662	0.8
193.10143	1.6
195.11667	5.4
197.13280	8.3
199.14830	3.7
201.16382	2.2
203.18037	1.2
205.10188	0.7
207.11784	1.9
209.13260	4.7
211.11288	0.7
211.14883	4.4
213.16467	3.3
215.14464	0.7
215.18005	1.2
221.13313	2.3
223.14853	4.2
225.16397	2.3
227.16159	1.0
227.18097	1.8
229.19614	0.9
235.14854	2.0
237.16396	3.2
239.17999	2.5
241.19695	1.6
243.21245	0.9
249.16544	1.6
251.18130	1.1
257.19055	3.2
259.20636	4.0
265.19641	1.6
267.21240	0.7
279.21161	0.7
281.22638	0.8
283.20520	1.1
285.22214	1.0
289.21808	0.9
311.23633	1.4
313.21902	1.1
313.25272	0.7
321.22086	0.8
325.21552	0.9
325.25339	1.1
331.23065	1.3
333.24292	4.0
335.25800	2.2
351.26770	1.2
353.24628	1.1
365.28598	1.2
375.26431	0.8
395.29739	0.9
421.31036	1.0
433.30792	1.5
447.32373	1.7
473.32794	1.4
483.34802	1.0
487.34418	0.9
499.39520	1.8
501.35831	1.6
513.36072	1.5
515.37317	1.0
517.40546	8.2
521.36121	0.8
525.36487	0.8
527.37366	1.4
535.41699	3.7
539.37268	3.0
541.39227	1.3
573.42810	1.2
591.44116	10.5
607.43372	1.2
609.45142	100.0
610.44159	1.4
621.45123	1.2
633.45923	1.3
651.45941	1.4
693.47815	0.8
699.46741	0.8
717.47284	1.8
735.47845	1.6
753.49152	3.9
771.50507	8.4
953.25195	0.8
993.62830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.6
69.07077	1.3
71.01353	0.3
71.04980	0.4
73.02914	2.0
74.73981	0.3
79.05499	1.7
81.03427	1.0
81.07081	1.3
83.08665	0.3
85.02901	3.5
91.03962	1.9
91.05480	2.2
93.07028	1.7
95.04992	0.8
95.08623	1.3
97.02892	3.2
97.03395	0.3
97.06542	0.4
98.22673	1.1
99.04423	0.4
101.02406	0.9
105.07044	2.0
107.04992	0.6
107.08636	1.2
109.02921	0.4
109.10166	0.6
115.03946	0.4
117.07045	0.8
119.08608	0.8
121.10165	0.7
125.12338	0.4
127.03951	1.0
131.08611	0.9
133.10165	1.4
135.11755	0.3
145.10135	0.5
147.11752	0.6
149.09612	0.6
163.11223	0.4
173.13370	0.3
177.12852	0.3
185.04314	1.0
201.03708	0.4
203.05356	0.9
229.53717	0.3
243.08392	2.3
259.20557	0.4
275.20206	0.5
301.09012	0.4
313.09106	0.3
315.10684	0.4
315.19269	3.3
317.21167	0.3
347.09439	2.6
363.08957	1.6
365.10754	1.0
371.22122	1.1
373.23837	0.4
405.13678	6.4
405.18848	0.5
463.14215	0.8
465.21243	0.5
477.15979	0.7
517.19519	0.3
533.27222	6.3
533.34320	0.4
535.28870	4.4
558.30359	0.4
605.29736	0.4
623.40735	0.3
627.26544	0.3
657.27496	0.8
689.38373	0.4
695.32397	6.2
697.34058	4.5
715.40021	0.3
767.35492	1.0
827.49390	1.2
989.54382	100.0
990.54889	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	991.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44141	2.1
81.03472	3.0
85.23626	2.1
95.76768	2.0
102.21706	2.3
153.01970	2.2
158.51837	1.9
164.05678	1.9
168.98119	2.7
170.99664	1.7
186.99214	5.4
196.97665	2.0
198.99359	3.5
205.00244	3.1
212.97165	2.5
214.98776	8.5
224.97174	7.0
226.98766	5.1
242.98158	34.6
259.02536	4.2
260.99307	4.5
265.00406	3.8
265.73126	1.9
277.00555	3.6
277.03500	3.8
286.50580	2.1
286.98834	4.2
288.02606	2.1
289.00308	5.8
292.99997	2.4
295.01404	2.5
302.98181	4.4
303.01627	2.9
304.99728	9.3
307.01395	5.0
316.99850	8.5
320.99115	12.2
323.00934	7.2
324.26407	2.0
332.99411	6.6
335.00894	15.0
339.00439	6.7
343.01523	2.7
348.98914	11.7
351.00522	8.3
352.99634	2.2
360.98965	4.5
366.99728	20.0
369.01459	3.1
371.00739	9.1
375.97510	3.3
376.98114	25.8
377.99127	2.5
378.99869	12.3
380.99142	3.5
383.00494	3.8
387.00497	4.0
393.98581	5.8
394.99277	45.9
399.00220	11.5
408.99026	6.2
411.00592	4.0
414.99823	2.8
416.95844	2.7
417.01270	2.7
424.98575	4.4
426.99753	24.1
427.04892	2.2
429.01151	3.2
434.55493	1.9
436.98663	6.9
439.00024	2.5
442.99225	5.1
445.01163	8.9
446.97125	5.1
452.97458	15.9
454.99249	28.8
457.01196	5.8
464.97803	11.1
469.01254	2.5
470.98767	20.5
473.00256	12.1
480.97635	3.8
482.98798	57.4
498.98270	12.4
500.99814	50.9
508.96643	24.1
519.00909	18.5
526.97662	51.1
544.98755	20.0
563.00128	6.4
587.00012	7.1
629.00903	34.4
647.02124	13.0
671.02191	5.2
689.03064	47.5
707.04034	84.7
725.05713	9.2
730.05884	2.9
991.04169	100.0
1009.04071	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	991.303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.4
70.63188	0.6
81.03401	0.3
85.02911	0.6
97.02890	0.5
98.97574	1.7
116.98630	1.2
134.99632	0.3
140.00728	0.3
145.04929	0.2
146.99654	0.6
153.01874	0.4
156.96564	0.4
158.99661	0.3
161.01221	0.8
163.03941	0.3
173.01239	0.4
174.97658	1.6
182.01715	0.7
187.02820	0.6
192.98766	0.8
198.97563	1.8
200.99210	1.6
203.02382	0.5
204.98540	0.2
205.03880	0.3
207.39424	0.2
210.97818	0.3
211.02835	1.1
212.02908	0.4
212.99277	0.5
214.97008	0.3
216.98709	7.6
217.69443	0.2
219.00267	3.0
221.03305	0.4
224.02841	0.4
224.99165	1.3
227.00806	0.7
228.98700	1.5
229.03815	2.8
231.00313	0.4
233.03384	0.8
234.99808	2.2
237.01262	0.3
240.98621	1.6
241.02463	0.5
242.03758	0.3
242.97771	0.6
243.00273	11.2
244.00801	0.3
244.98206	0.5
245.01884	2.5
245.04440	0.3
246.99840	0.6
247.04907	1.4
250.04517	0.6
252.98776	0.8
255.00337	1.7
258.99750	2.6
259.05261	1.4
261.01334	8.6
263.02789	1.3
267.00269	2.2
267.03784	1.7
268.05423	1.1
269.01852	4.7
270.99792	2.5
271.02850	0.4
273.01477	0.8
277.00882	1.2
280.05481	0.6
281.01752	0.5
282.99951	0.6
283.03134	0.4
285.01407	7.5
285.04977	1.3
287.02878	9.9
289.00940	0.5
293.02005	0.7
294.01849	0.4
295.02707	0.6
297.01312	1.3
297.04907	0.3
299.02875	2.1
301.00955	1.0
301.04117	0.3
303.02454	2.2
305.03961	6.7
308.03406	0.2
309.01401	0.5
311.02884	6.9
311.06210	0.4
313.04349	1.6
315.02402	1.2
315.05853	0.3
319.01874	11.0
323.02972	0.4
327.02438	0.6
329.03940	11.1
331.05576	1.8
336.07379	0.3
337.03671	2.4
341.04095	1.4
341.59198	0.5
345.03403	1.4
347.04974	4.8
349.08057	4.2
353.03918	0.4
355.05499	4.8
357.07242	1.4
359.05066	0.6
360.06247	0.3
367.05347	0.4
367.09482	0.5
371.05075	2.2
373.06540	2.0
375.08090	1.5
379.05658	0.8
380.05774	0.3
381.07065	0.7
383.05142	0.3
387.04391	0.3
389.06104	5.1
397.06699	0.7
399.07950	1.1
401.06232	0.4
407.07150	2.7
411.08173	0.3
417.09189	0.5
423.07996	0.4
431.07184	9.1
432.07294	0.4
443.07196	0.8
449.08182	13.3
450.08597	0.3
457.08612	0.4
475.09958	2.0
499.09650	1.5
501.11435	2.0
504.14587	0.8
507.64182	0.7
508.14218	1.0
508.64160	1.0
509.13934	0.5
515.13007	0.8
515.63434	0.4
516.12518	0.3
519.12317	5.1
524.11438	0.3
525.11517	1.8
525.61938	0.8
526.12048	6.2
526.61688	1.7
543.12354	0.7
659.21008	1.7
663.16797	0.4
663.57959	0.3
665.18939	0.3
681.17621	100.0
682.17688	2.0
697.15240	0.5
836.11133	0.4
991.03674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.8
69.07086	0.7
71.05024	0.2
73.02919	2.0
76.99979	0.2
79.05499	2.4
81.03419	0.8
81.07059	1.3
83.04992	0.2
83.08636	0.3
85.02911	3.3
85.03410	0.2
87.04488	0.2
91.03957	2.0
91.05473	1.9
93.07043	2.2
93.07590	0.2
95.05016	0.5
95.08595	1.3
97.02898	3.6
97.03475	0.2
97.06561	0.2
99.04487	0.7
101.02380	1.2
103.03971	0.2
105.07043	1.6
107.08609	1.0
108.97178	0.2
109.02917	0.5
109.03646	0.2
109.10191	0.3
115.03959	0.3
117.07055	0.3
119.08598	1.1
121.10190	0.7
127.03920	1.2
129.05484	0.4
131.08614	0.5
133.10117	1.0
135.11702	0.8
143.08636	0.2
145.05016	0.3
145.10164	0.5
147.11754	0.7
149.13271	0.3
157.04774	0.3
157.10201	0.3
159.11761	0.5
161.13329	0.6
162.19072	0.2
169.04852	0.3
171.11714	0.4
173.13324	0.3
185.04224	1.0
201.03703	1.0
203.05214	1.1
241.07045	0.2
243.08380	1.6
257.06436	0.4
259.08081	0.3
259.20770	0.5
301.08987	0.8
313.09091	0.4
315.10675	0.6
317.20969	0.7
319.10025	0.4
329.08527	0.6
333.24420	0.2
347.09500	3.9
355.13873	0.3
358.95184	0.2
363.09006	1.6
365.10559	1.1
369.15359	0.2
373.23810	0.3
383.17001	0.2
397.18716	0.3
403.12125	0.2
405.13696	6.7
415.24673	0.2
434.72424	0.2
437.21698	0.2
439.24844	0.2
461.25302	0.2
463.14136	1.8
465.21054	1.2
475.14667	0.7
477.15784	1.0
503.17697	0.5
517.19141	0.5
517.27667	0.4
519.20941	0.4
525.23438	0.5
531.21088	0.3
535.16278	0.6
535.28821	8.5
545.22253	0.4
547.23969	0.4
559.23853	0.9
585.25848	0.2
599.27008	0.6
607.30890	0.6
627.26251	1.3
629.28003	0.3
656.04541	0.2
657.27686	0.5
671.28137	0.2
679.33191	0.3
687.28027	1.2
691.40643	0.2
697.34009	10.2
719.80902	0.2
759.43756	0.3
769.36066	1.8
783.38458	0.2
811.40723	0.3
825.42023	0.4
829.50690	0.8
839.44269	0.3
853.45093	0.4
893.47534	0.2
921.48022	0.4
991.56006	100.0
992.55859	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	1003.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.1
72.99329	0.5
81.03457	0.9
85.02934	1.2
95.01403	1.6
97.02928	1.0
101.02454	0.7
107.01386	5.7
111.00844	0.7
113.02425	1.3
113.24603	0.4
123.00870	6.8
124.01644	5.6
125.02443	42.8
127.00372	0.5
137.02452	0.9
138.03172	0.6
139.00366	1.5
140.01169	0.9
141.01930	1.1
143.03500	0.4
149.02434	0.7
151.00385	4.4
153.01941	1.2
165.01843	0.8
166.99873	1.5
167.03455	0.9
168.00641	3.2
169.01416	63.6
176.57895	0.5
179.03473	1.0
183.02837	0.6
191.03444	0.5
193.01393	4.5
193.05058	0.5
211.02481	5.7
223.02466	1.4
235.02501	1.0
241.03537	1.2
242.13167	0.4
253.03554	0.7
271.04691	0.6
295.04651	2.8
297.06122	2.7
313.05646	27.7
314.06161	0.6
465.06705	100.0
466.07071	1.3
483.07831	1.0
630.46588	0.6
635.08862	41.6
636.09015	0.7
640.27441	0.5
1028.44897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0243
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01873	36.3
57.03451	8.5
57.64369	3.2
58.00582	3.9
59.01374	49.5
61.13763	3.4
65.35947	3.3
69.59286	10.6
71.01379	14.9
73.02943	100.0
83.01389	6.4
94.98401	3.6
101.02431	36.5
101.06084	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	1037.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01871	0.2
81.03448	0.4
83.01334	0.2
83.08579	0.2
89.37958	0.2
93.03477	0.4
95.01398	0.8
97.02936	0.4
101.02390	0.3
107.00747	0.2
107.01382	1.4
109.02965	0.3
110.00124	0.3
111.00877	0.6
119.05009	0.2
121.02962	0.6
123.00884	2.9
124.00821	0.4
124.01656	3.7
125.02447	16.2
127.00381	0.3
133.02957	0.4
135.04527	0.4
136.98824	0.4
137.02434	1.0
138.03250	0.4
139.00345	0.9
139.04019	0.4
140.01175	1.0
141.01913	0.3
145.02937	0.6
149.02443	0.9
151.00366	0.5
152.01154	0.4
153.02028	0.3
161.02402	1.3
162.03209	1.0
163.00368	0.3
163.04028	0.6
164.01161	1.0
165.01912	1.6
166.02721	0.5
166.99825	0.9
167.03516	0.7
168.00636	3.7
169.01421	21.3
173.02376	0.4
177.01910	0.7
178.02763	0.3
178.99832	0.4
179.03523	0.5
180.00749	0.2
181.01404	0.5
183.03009	1.0
189.01869	0.6
190.02696	1.9
190.99820	0.3
191.03442	1.1
192.00639	12.7
193.01407	14.0
194.02147	1.1
194.79398	0.2
195.02927	0.3
203.03534	0.3
204.04213	0.3
205.01419	1.1
205.05055	0.3
206.02245	1.7
207.02979	6.7
211.02457	7.1
215.03403	0.2
217.01398	0.3
219.02951	0.3
220.00128	0.5
221.00966	1.5
221.99376	0.2
222.01677	0.6
223.02446	0.5
224.02788	0.2
230.02156	0.2
231.03059	0.3
232.03690	0.4
233.00775	0.3
234.01656	4.8
235.02469	6.1
237.03963	0.5
246.01662	0.2
247.02441	0.5
249.04045	2.4
253.03529	0.5
258.01505	0.3
263.02039	0.4
271.04620	2.1
273.04153	0.3
276.02753	0.7
277.03564	0.3
291.05127	0.2
294.03802	0.4
295.04535	0.5
309.06149	0.6
312.04901	0.8
313.05591	0.8
327.07373	1.6
336.66803	0.2
423.05426	0.2
445.82605	0.2
446.04681	0.4
461.07037	0.4
464.06015	0.5
465.06503	0.3
479.08328	7.6
571.17053	0.2
616.07190	0.4
631.09351	100.0
632.09473	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	1047.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02944	2.6
77.13017	0.5
81.03456	0.4
82.05421	0.4
83.01398	0.7
85.02954	4.3
87.04506	2.8
89.02443	14.1
95.01385	2.6
95.05012	1.2
95.05564	0.4
97.02913	0.9
99.04502	3.0
101.02435	8.8
107.01385	1.4
113.02438	8.7
119.03502	5.1
121.06544	0.4
123.00886	2.3
124.01649	1.7
125.02444	17.1
139.00349	0.4
140.01082	0.4
141.96817	0.4
143.03474	0.7
144.53622	0.4
151.00410	0.8
159.61899	0.4
161.02422	1.5
161.04562	1.1
162.03204	0.6
163.11290	5.8
164.01152	0.8
166.02756	0.7
167.03505	0.4
168.00658	0.8
169.01427	15.5
177.01877	0.8
177.12852	0.7
179.05624	1.8
181.12344	21.0
190.02731	2.7
191.03644	0.4
192.00650	10.5
193.01413	4.8
194.02193	1.5
195.13922	1.9
205.01413	1.2
205.12431	0.8
206.02238	1.9
207.02998	3.2
207.10278	3.6
211.02406	0.6
217.01453	0.5
221.00990	0.5
222.01657	0.9
223.13319	0.6
225.11320	61.9
234.01700	6.4
235.02391	0.6
237.03992	0.6
239.12883	4.9
243.12408	0.9
246.01772	0.6
249.04015	3.6
249.11375	0.4
258.78534	0.4
267.12369	8.5
271.04626	0.6
294.03821	0.9
300.99887	0.8
309.06158	1.4
312.04901	1.8
327.07123	1.3
369.15704	0.8
387.16599	6.7
405.17651	75.3
406.17950	0.6
441.36920	0.4
447.18762	13.2
465.06650	0.5
479.08276	34.4
507.20721	2.8
531.20941	0.5
549.21869	5.8
567.22913	100.0
568.23181	0.5
575.10608	2.0
955.84674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
74.48323	0.3
79.01888	0.5
79.29756	0.3
79.39690	0.3
80.45995	0.3
81.03452	0.3
81.44913	0.3
83.01416	0.3
85.02935	0.4
91.40140	0.3
95.01378	1.4
97.02968	0.5
101.02430	0.6
107.01385	3.9
108.02158	1.5
109.02946	2.2
111.00912	0.8
113.02469	0.4
123.00891	6.1
124.01665	5.1
125.02445	26.1
127.00354	0.5
137.02480	0.4
139.00354	1.6
140.01155	1.8
141.01932	1.0
144.19807	0.4
151.00366	3.4
151.03992	0.4
153.01888	0.5
163.04037	0.3
165.01831	0.5
166.99840	1.0
168.00642	4.3
169.01419	35.0
179.03595	0.4
191.03607	0.3
192.00636	1.4
193.01373	2.4
207.02975	0.6
211.02512	1.6
223.02451	0.8
237.03951	0.6
241.03568	0.5
253.03484	0.7
279.05240	0.4
295.04614	1.7
297.06107	1.2
300.99817	0.4
313.05637	10.4
316.31082	0.3
405.08270	4.6
423.09290	14.4
465.06705	5.2
476.68222	0.4
479.08069	2.2
498.22125	0.3
575.10394	100.0
576.10681	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	1057.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96004	0.8
97.02900	0.4
107.01415	0.4
123.00863	1.2
124.01633	1.0
125.02445	8.3
132.02167	1.1
137.02435	0.4
140.01115	0.3
144.02174	1.0
145.02921	0.8
149.02400	0.4
157.02917	0.4
160.01653	0.6
161.02420	1.4
162.03175	0.7
165.01921	0.7
168.00623	1.4
169.01424	7.5
171.00870	0.5
172.01649	5.6
173.02438	1.1
175.00159	0.4
177.01949	0.4
183.02969	0.4
185.02432	0.9
187.00372	0.4
188.01103	1.0
189.01828	0.5
190.02704	1.1
191.03430	0.4
192.00644	2.0
193.01352	2.7
199.00369	1.0
200.01158	4.6
201.01947	0.5
205.01384	1.0
206.02171	1.2
207.02965	3.1
211.02458	3.3
213.01915	0.7
214.99927	0.7
216.00615	4.6
226.99805	1.0
228.00636	7.1
229.01401	2.6
232.03767	0.4
234.01686	2.5
235.02412	3.8
242.99269	2.4
244.00125	8.2
245.00935	0.6
249.04045	1.1
257.00806	1.0
270.98853	12.0
271.01840	0.6
271.99606	8.4
282.98807	6.4
283.99622	6.9
285.00452	5.7
298.98325	24.8
299.99100	100.0
300.99881	57.4
302.00528	0.5
327.07251	0.5
394.63165	0.4
422.99884	0.5
425.01486	93.4
426.01840	1.1
479.08221	0.8
631.09375	43.3
632.09387	2.1
633.09625	0.6
929.19751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
75.29449	0.3
83.01374	0.3
91.01858	0.3
93.03465	0.3
95.01372	0.3
100.82721	0.2
107.01390	1.5
108.02158	0.5
109.02950	0.6
121.02964	1.3
123.00861	1.3
124.01648	1.8
125.01622	0.4
125.02444	4.2
135.00853	0.5
136.01622	0.3
137.02423	1.1
139.00392	0.3
139.04086	0.3
140.01115	0.5
145.02972	0.5
145.88190	0.3
148.01642	0.9
149.02448	1.4
151.00369	3.2
151.03999	0.5
152.01118	0.3
161.02390	0.8
162.03217	0.6
163.00345	0.3
163.03976	0.3
164.01151	2.1
165.01912	2.0
166.02684	0.9
167.03461	0.3
168.00618	1.6
169.01419	4.0
173.02377	0.5
177.01880	0.5
178.99838	2.4
183.02992	0.4
189.01839	0.3
190.02699	0.7
191.03444	0.7
192.00638	17.9
193.01408	24.2
194.02104	1.5
199.03990	0.5
205.01413	1.0
206.02211	1.2
207.02979	5.5
207.11540	0.3
211.02444	5.4
211.04248	0.5
215.03505	0.3
216.04344	0.3
221.00871	0.5
222.01637	0.9
223.02538	0.5
225.03973	0.3
226.02646	1.0
227.03543	1.1
234.01721	3.0
235.02429	2.3
237.04132	0.4
243.02979	5.8
244.03607	0.4
249.04004	1.1
254.02190	1.6
255.02974	17.7
271.02423	35.0
272.03152	1.1
299.01895	1.2
300.02737	75.2
301.00305	0.4
301.03500	4.5
312.04813	1.9
313.05624	2.2
327.07175	1.0
331.06946	0.4
336.90747	0.3
388.52145	0.2
443.11792	1.5
463.09363	0.3
464.05939	0.6
479.08316	55.5
480.08215	0.5
483.07532	0.6
566.91052	0.3
595.13031	100.0
596.13501	1.1
726.12189	0.3
882.61041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03472	0.5
94.23605	0.3
94.32574	0.3
95.01383	0.7
95.06246	0.3
97.02926	0.6
105.03479	0.3
107.01345	1.2
109.02973	0.5
111.00858	0.6
117.03471	0.4
121.02918	0.7
123.00887	1.7
124.01662	4.0
125.02445	20.8
133.02971	0.4
134.03758	0.4
135.04498	0.6
136.98744	0.4
137.02431	1.1
138.60190	0.2
139.00340	0.6
139.04002	0.4
140.01117	0.7
142.77266	0.2
143.05145	0.3
143.36815	0.2
145.02946	0.9
147.52637	0.3
148.01651	0.3
149.02440	1.0
151.00345	0.4
159.62848	0.2
161.02438	2.6
162.03241	1.5
163.03986	1.1
164.01143	0.7
165.01913	2.4
166.02727	0.3
166.99879	0.6
167.03496	0.3
168.00630	3.9
169.01419	21.7
173.02425	0.6
175.04010	0.4
176.01224	0.4
177.01938	1.2
178.02737	0.5
178.99846	0.3
179.03459	0.9
183.02950	1.3
187.03897	0.3
189.01930	1.1
190.02725	2.9
191.03510	1.3
192.00635	6.4
193.01421	10.2
194.02126	0.7
203.03348	0.3
205.01410	2.0
205.04984	0.3
206.02220	3.0
207.02977	11.2
211.02457	7.5
219.03021	0.4
220.03619	0.4
221.00989	0.4
221.04529	0.4
222.01778	0.6
225.04079	0.4
232.03802	0.4
233.00938	0.5
233.04543	0.4
234.01672	7.2
235.00137	0.5
235.02473	9.2
242.47134	0.3
246.01601	0.7
247.02498	0.6
249.04047	3.4
259.02194	0.5
271.04575	0.6
276.02667	0.4
277.03497	1.0
279.05212	0.5
294.03796	0.8
295.04562	1.1
309.06018	1.0
312.04987	0.6
313.05621	0.9
327.07199	0.7
408.27710	0.3
461.07343	0.6
464.05945	0.5
465.06570	1.2
479.08398	2.8
536.86713	0.3
616.06750	0.6
629.07440	0.4
631.09357	100.0
632.09723	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	108.0217
Annotation	p-Benzosemiquinone
Peak:m/z	Relative Intensity
69.11430	2.9
69.11835	0.8
81.03447	1.2
85.25774	0.7
98.21867	1.3
107.46799	0.6
108.02173	100.0
109.02994	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	1083.116
Annotation	Unknow
Peak:m/z	Relative Intensity
86.51491	1.9
95.01395	10.9
117.03454	4.1
119.05018	3.9
121.02918	4.2
123.00881	17.3
124.01659	4.2
125.02435	14.3
131.05074	2.7
133.02936	5.4
145.02963	11.0
147.04530	10.7
147.54655	2.1
149.02386	4.2
157.02966	2.8
159.04532	12.6
161.02461	10.0
163.04033	7.4
164.01146	2.5
164.04794	6.5
169.01482	3.9
171.04524	4.3
173.02460	13.3
174.03227	4.9
175.03992	15.8
177.01921	9.6
185.02432	5.7
186.03285	3.7
187.03961	12.6
189.01942	10.4
190.02689	15.2
191.03497	18.7
192.00645	2.5
192.04376	2.7
199.03987	4.9
200.01001	3.3
201.01953	19.5
201.05707	3.6
202.02721	6.7
203.03494	31.4
205.01363	3.6
213.01921	7.4
214.02710	5.4
215.03485	8.3
216.00645	4.1
217.01430	9.5
218.02205	6.7
219.02950	7.8
220.03799	4.0
221.04410	3.1
225.05669	3.7
226.02718	3.7
227.03503	10.1
228.00642	7.7
229.01404	26.0
229.05040	3.1
230.02164	14.9
231.02939	32.2
233.04520	4.1
239.03543	2.6
241.05084	3.6
242.02238	5.5
242.99304	3.0
243.02995	12.1
244.00072	3.2
245.00919	22.2
245.04466	3.9
246.01730	4.4
247.02417	26.9
248.03244	43.5
249.03998	59.5
251.03477	4.6
253.01413	2.7
253.05093	4.8
255.02875	5.1
257.00928	22.0
257.03650	3.4
257.04507	3.0
258.01611	29.5
259.02490	15.8
261.00385	3.5
264.04364	3.0
265.04907	5.0
266.02090	2.8
267.02939	6.2
269.00925	6.0
269.04437	4.3
270.98840	7.3
271.02481	12.9
271.99667	3.0
272.03265	5.0
273.00412	39.4
273.03513	4.0
274.01169	61.0
275.01953	100.0
279.03067	3.9
281.00974	5.0
281.04456	4.4
283.02472	7.6
283.05835	3.7
283.99573	9.6
284.02887	3.0
285.00391	15.5
285.04001	7.0
286.01114	14.7
287.01953	29.9
287.05142	3.8
288.02771	30.1
291.01477	9.2
293.04568	4.0
295.02472	6.4
297.00555	4.4
297.04037	5.7
298.01202	3.5
298.98425	6.4
299.01953	35.4
299.05356	2.9
299.99094	29.5
300.02704	8.4
300.99860	43.8
301.03491	25.1
309.04001	7.8
311.01950	6.8
312.02710	7.9
312.99820	12.7
313.03534	11.2
314.00665	69.3
314.04144	3.1
315.01437	16.1
316.02301	5.3
317.03128	2.5
321.03821	3.6
323.05716	3.9
324.02682	4.2
325.03485	13.8
325.06674	2.5
325.97156	3.0
326.00598	6.7
327.01462	80.8
327.05011	6.8
328.02194	19.9
329.02948	16.3
329.06369	2.9
330.00137	4.0
338.04257	8.5
339.01398	3.9
339.05203	2.7
340.02252	8.8
341.03079	14.7
341.06567	3.6
342.00107	3.2
343.00897	6.9
343.04611	4.9
349.03470	7.6
350.04361	3.8
351.01294	5.6
351.05063	4.2
353.03070	17.9
357.02451	13.3
359.03995	3.5
365.02634	5.2
366.03674	10.9
367.04471	10.1
368.05212	3.6
369.02325	7.2
369.06161	7.6
371.04044	5.8
373.05646	16.1
377.02991	16.3
381.02267	2.8
383.04120	4.7
385.05621	3.5
387.07181	6.0
394.03137	11.9
395.04147	27.6
399.03485	15.8
403.06760	4.8
411.03311	2.8
413.05179	7.9
419.05905	6.4
425.01141	12.6
431.06204	4.3
447.05490	16.9
449.07184	19.7
473.06967	4.4
479.08237	9.7
551.10577	3.8
569.11462	27.4
663.09790	2.6
703.05206	3.1
705.07416	2.9
714.90564	2.8
731.05408	4.4
732.05896	7.3
733.06757	7.9
734.07574	2.5
749.06525	7.8
750.06903	6.7
751.07941	7.5
781.08563	6.5
813.08917	5.1
825.07288	2.4
831.11078	5.0
852.10266	2.9
853.10815	4.8
855.11469	2.8
856.07281	3.3
857.08496	48.5
869.10248	10.6
870.10669	5.4
871.11865	17.3
875.09552	18.1
877.07782	3.1
887.09308	5.1
899.09515	3.0
905.10291	15.5
949.09381	3.0
961.09460	5.6
963.11041	4.0
977.12384	9.1
995.13715	65.1
1003.09686	7.4
1021.10602	5.0
1039.12000	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	1087.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
90.87595	0.2
95.01396	0.7
107.01373	0.8
111.00886	0.5
113.02457	0.2
117.03471	0.1
121.93512	0.1
123.00890	1.3
124.01692	0.4
125.02448	3.9
132.02219	0.2
136.98781	0.2
137.02365	0.2
139.00345	0.6
140.01164	0.2
141.03464	0.1
145.02954	0.5
149.02380	0.1
151.00308	0.3
157.03004	0.2
161.02426	0.4
163.00240	0.2
166.99883	0.3
167.05000	0.4
168.00606	0.3
168.99950	0.2
169.01408	3.9
169.02715	0.2
171.00870	0.2
173.02431	0.4
175.03938	0.2
177.01999	0.2
179.03487	0.2
183.04527	0.2
185.02292	0.2
187.00423	0.4
187.04025	0.3
189.01895	0.4
193.01376	0.3
193.02994	0.3
195.04489	0.4
197.06108	0.2
199.00287	0.3
199.03914	0.2
201.01912	0.7
203.03482	0.4
207.04625	0.3
209.02408	0.3
211.03964	0.6
213.01917	0.4
214.99879	0.3
215.03484	0.2
217.01338	0.5
221.02487	0.5
223.04005	0.5
225.01965	0.3
226.99910	0.3
227.03461	0.4
229.01427	1.0
229.04831	0.2
230.02333	0.2
231.02982	0.5
233.04504	0.3
235.03984	0.3
237.01953	1.1
238.02588	0.2
239.03497	0.8
241.01221	0.3
241.05183	0.2
242.99368	0.7
244.00046	0.3
245.00821	0.9
247.02382	0.4
249.01923	0.6
250.02693	0.3
251.03372	1.1
253.01401	0.2
253.05075	0.3
254.99213	0.2
255.03052	0.5
257.00888	0.6
259.02463	0.7
261.00381	0.2
263.03543	0.3
265.01419	1.4
266.02216	0.3
267.02985	1.5
269.00922	0.4
269.04492	0.3
270.98819	1.2
273.00397	0.7
275.01978	0.7
277.01361	0.8
278.02173	0.2
279.02966	0.6
281.00922	0.2
281.04462	0.3
282.01715	0.3
282.99103	0.3
283.02472	0.4
283.99506	0.2
284.03412	0.2
285.00436	1.4
285.03537	0.3
289.01498	0.2
293.00909	2.6
294.01532	0.4
295.02328	1.6
297.00412	0.3
297.04031	0.3
298.98209	0.7
299.01379	0.2
299.99072	0.5
300.99887	4.0
305.00870	1.3
306.01602	0.2
307.02432	0.5
309.00284	0.2
309.03860	0.2
310.01248	0.4
311.01825	0.8
313.05960	1.1
321.00369	2.0
322.01071	0.7
323.02023	1.7
324.02582	0.2
324.99573	0.2
325.03503	0.4
326.97708	1.3
333.00412	0.7
334.01053	0.3
335.01965	0.8
336.99811	0.6
338.00598	0.4
339.01434	1.7
341.03079	0.4
348.99844	3.3
350.00525	0.8
351.01511	2.8
353.02887	0.5
360.99734	0.5
363.01434	0.3
364.99384	0.4
366.00266	0.5
367.00842	1.6
369.02301	0.3
376.99359	6.5
378.00052	0.2
379.00940	1.5
380.01639	0.2
381.02527	0.8
388.99496	0.3
393.28436	0.2
395.00378	1.5
397.01773	0.3
399.03488	0.8
404.98849	4.1
407.00620	0.8
421.07971	0.2
422.99704	0.7
424.00626	0.3
425.01498	6.2
432.98358	0.9
433.99210	0.4
435.00330	0.2
441.01190	0.2
450.99390	100.0
451.99768	0.6
465.06723	2.8
477.00995	0.2
483.07751	0.3
561.02588	0.2
593.15027	0.3
635.09027	1.1
749.05402	0.7
917.06909	3.7
935.08252	1.2
1069.10303	0.2
1087.09021	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
91.20105	0.2
98.21896	0.8
103.00139	0.2
107.01431	0.3
123.00875	0.3
125.02476	0.6
148.01692	0.2
151.00385	1.2
163.00410	0.4
166.69328	0.2
169.01434	0.9
178.99924	0.7
200.01230	0.3
206.86745	0.2
216.00719	0.4
227.03439	0.3
229.01514	0.4
242.99373	0.8
243.02943	1.2
244.00145	0.7
255.02982	2.9
270.98898	12.4
271.02496	6.4
271.99695	0.4
283.02414	0.3
285.00388	0.5
293.00873	0.3
298.01230	0.3
298.95499	0.2
298.98343	15.1
299.99167	64.9
300.02753	10.5
300.99869	1.9
301.03583	3.9
307.02350	0.3
312.99933	1.2
314.00668	12.3
315.01462	55.5
316.02005	0.3
321.00339	0.4
328.99326	0.3
348.99521	0.3
365.99893	0.3
367.01096	0.3
376.99414	0.7
404.98871	0.5
419.91229	0.2
425.01639	0.9
450.99402	13.3
451.99692	0.5
462.04086	0.4
465.06604	0.5
477.06717	100.0
478.07278	0.4
562.46899	0.2
609.14545	19.9
654.27637	0.3
917.07434	0.6
979.64856	0.3
1000.01740	0.3
1087.08679	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	1089.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03479	0.5
107.01381	1.9
107.46944	0.4
108.02198	1.0
121.02949	1.1
123.00900	0.9
124.01659	1.5
125.02447	4.9
135.00957	0.6
135.04565	0.5
137.02460	1.3
139.04025	0.6
145.02939	0.7
148.01642	1.2
149.02422	1.6
151.00339	2.9
161.02428	1.1
163.00310	0.5
163.03987	0.7
164.01169	2.0
165.01895	2.4
166.02827	0.5
168.00607	1.3
169.01407	4.3
177.01964	0.5
178.99850	1.7
190.02699	1.2
191.03389	0.7
192.00645	21.0
193.01407	27.2
194.02171	1.7
199.04036	0.5
205.01466	0.9
206.02283	0.9
207.02957	5.2
211.02423	4.1
221.00980	1.4
222.01653	0.6
226.02809	1.1
227.03473	2.1
234.01682	3.3
235.02412	2.3
243.02962	6.5
244.03720	0.5
249.04024	1.4
254.02115	1.8
255.02972	20.1
256.03854	0.6
271.02451	42.0
272.03214	1.4
285.03909	1.0
299.02002	1.5
300.02737	90.7
301.03470	3.5
312.04889	1.6
313.05698	2.0
327.07205	1.6
447.09360	0.8
450.99185	1.0
451.99393	0.6
464.05823	0.8
479.08298	48.4
609.14581	100.0
667.80432	0.5
856.82990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01911	0.8
81.03455	0.4
85.02962	0.4
92.08463	0.4
95.01390	5.0
97.02950	0.7
98.21851	0.6
103.69706	0.4
107.01383	2.6
111.00898	0.6
113.02451	0.9
117.03481	1.3
117.51489	0.4
119.04971	0.8
121.02920	0.7
122.99990	0.8
123.00891	13.1
124.01672	4.8
125.02451	17.5
129.03448	0.8
131.05025	0.5
132.02133	0.7
133.02975	1.3
136.98839	0.4
137.02382	0.7
139.00380	1.3
140.01202	1.0
141.01926	1.0
144.02228	0.5
145.02933	3.4
147.04514	1.9
149.02432	0.4
151.00371	0.8
155.43976	0.4
157.02907	2.2
159.04520	1.7
160.01692	0.9
161.02444	3.7
162.03273	0.4
163.00357	1.1
163.03999	2.3
164.01097	0.6
165.01929	0.5
166.99866	5.3
168.00638	4.8
169.01421	21.2
171.00882	1.0
172.01671	1.5
173.02408	4.1
174.03212	1.0
175.04016	3.2
177.01906	2.0
179.03455	0.8
184.01672	0.5
185.02417	3.7
187.00497	0.5
187.04013	1.5
188.01245	0.6
189.01900	3.9
190.02711	3.3
190.99915	0.4
191.03473	2.9
193.01398	0.9
199.00470	0.8
200.01088	2.5
201.01930	7.5
202.02679	0.7
203.03491	6.0
203.28343	0.4
205.01422	0.6
205.05060	0.6
207.02979	0.4
209.00916	0.6
209.47943	0.4
213.01956	1.0
214.02759	0.6
214.99879	1.1
215.03517	1.1
216.00691	2.2
217.01419	4.2
218.02179	1.5
219.02936	1.9
221.00870	0.8
221.04593	0.5
226.99867	1.5
228.00604	2.3
229.01413	11.9
230.02127	3.6
231.02972	9.9
232.03680	0.5
233.00896	0.6
233.04614	0.7
242.99384	1.7
244.00104	2.5
245.00890	8.2
246.01543	0.5
247.02475	7.3
248.03204	3.0
249.04037	9.7
254.99448	1.0
256.00168	0.7
257.00909	8.0
258.01682	1.5
259.02460	1.7
261.00467	0.7
270.98816	4.2
271.99588	2.6
273.00412	11.3
274.01193	7.2
275.01971	27.6
277.03525	0.5
280.03870	0.4
281.04361	0.5
282.98920	0.7
283.02563	0.5
283.99548	6.1
285.00403	5.4
290.00989	0.6
291.01477	2.0
298.98380	5.2
299.99106	21.9
300.99890	100.0
302.00235	0.9
313.05670	3.1
399.03830	0.5
417.04486	0.5
419.05576	0.4
425.01514	7.6
427.02872	1.1
429.04568	0.7
445.04010	0.7
465.06833	2.4
579.03943	0.5
581.05249	0.8
597.05072	1.2
599.07007	0.7
635.08771	0.8
741.09277	0.7
747.05029	1.7
749.06299	13.2
765.05847	2.0
766.06378	0.8
767.07581	5.6
783.07770	0.8
785.08990	1.2
891.09070	2.4
893.11163	0.6
907.08466	1.3
909.09619	3.6
917.06964	27.1
918.07727	3.8
935.07880	7.3
936.08728	24.2
937.09503	53.2
938.09125	0.6
1061.11145	31.5
1083.92200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
77.83125	0.4
79.01908	0.5
83.01411	0.5
85.02968	0.6
95.01389	5.0
97.02962	0.5
99.00894	0.5
105.03487	0.5
107.01394	3.2
111.00871	1.3
113.02440	0.6
115.05476	0.4
117.03475	1.6
119.05022	0.7
123.00894	13.2
123.94391	0.3
124.01661	5.7
125.02451	17.3
129.03488	1.0
131.05026	0.9
132.02209	0.5
133.02953	1.9
135.04417	0.5
136.98801	0.6
137.02415	0.8
139.00363	1.4
140.01170	1.1
141.01929	1.3
141.03442	0.4
144.02147	0.7
145.02939	4.5
147.04562	2.2
149.02396	1.3
151.00328	0.8
157.02956	1.8
159.00926	0.5
159.04564	1.5
160.01668	1.1
161.02435	3.3
162.03307	0.7
163.00412	0.7
163.04053	2.8
164.04718	0.5
165.01949	0.8
166.99838	4.9
168.00630	4.8
169.01425	20.9
171.00861	1.0
172.01720	1.9
173.02438	4.9
174.03259	0.7
175.04012	2.7
177.01936	2.1
179.03508	0.8
181.01273	0.4
185.02437	3.8
187.00400	0.6
187.04019	1.5
188.01152	0.8
189.01921	4.1
190.02736	3.3
191.03497	3.2
192.00610	0.7
193.01480	1.0
199.00404	1.1
200.01163	3.4
201.01926	7.3
202.02686	0.8
203.03499	5.7
205.01419	1.4
207.02960	0.9
209.00912	0.5
213.01904	1.3
214.02690	0.8
214.99831	1.3
215.03470	0.8
216.00653	2.9
217.01437	5.0
218.02254	1.9
219.02956	1.5
221.00964	0.7
221.04509	0.7
226.99878	1.7
228.00662	2.7
229.01408	13.7
230.02144	3.9
231.02979	10.1
232.00067	0.5
233.01077	0.6
233.04564	0.4
242.99350	1.4
243.03020	0.5
244.00085	2.8
245.00899	8.1
246.01692	1.1
247.02466	6.6
248.03215	2.9
249.04033	9.4
254.99239	0.8
256.00140	0.6
257.00931	9.2
258.01645	1.6
259.02487	1.2
261.00430	0.8
267.02957	0.6
270.98843	4.4
271.99652	2.8
273.00406	10.6
274.01218	7.8
275.01968	26.8
282.98904	0.8
283.99625	6.8
285.00388	5.6
290.00760	0.8
291.01410	1.9
298.98370	5.3
299.99112	24.3
300.99896	100.0
302.00232	0.9
313.05737	2.9
313.33008	0.4
425.01508	7.4
427.03128	0.8
429.04703	0.9
445.04318	1.0
465.06720	3.3
581.05750	0.6
597.05347	1.3
615.06799	0.5
631.76801	0.5
635.08862	0.6
721.06696	0.7
739.08356	1.0
741.10089	0.8
747.04871	1.5
749.06299	13.2
757.08087	0.4
765.05981	2.1
766.06647	1.1
767.07379	6.6
784.08429	0.6
785.08875	1.0
891.09308	3.4
907.08356	1.5
909.10242	3.2
917.06885	31.1
918.08026	3.1
919.07550	0.5
935.08069	8.6
936.08777	24.8
937.09546	55.4
938.10529	0.5
1043.76709	0.4
1061.11133	35.8
1062.11121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
53.86409	0.7
55.01878	28.3
61.30426	0.6
67.01888	8.5
71.01373	2.2
71.44095	0.9
72.32331	0.8
78.95899	23.6
79.62682	0.7
81.03442	1.2
83.01386	100.0
83.05027	1.9
84.01701	4.0
85.00422	1.1
85.02949	0.9
89.06621	0.7
110.97559	1.3
111.00880	29.9
111.02039	2.1
111.04518	2.3
112.01228	1.1
112.04047	1.1
121.46120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01390	0.6
117.03451	0.5
119.05055	0.6
123.00877	1.3
124.01686	0.3
125.02441	1.1
129.03539	0.4
131.05061	0.3
132.15712	0.2
133.02971	0.6
141.03493	0.2
145.02956	1.9
147.04527	1.6
157.02963	1.4
159.04532	1.1
161.02446	0.7
163.03986	1.3
173.02428	2.3
174.03185	0.5
175.04024	2.3
177.01912	0.7
177.05569	0.2
185.02448	4.0
187.04002	0.7
189.01854	1.0
190.02731	0.8
191.03523	1.9
201.01924	4.9
202.02779	0.2
203.03482	5.8
213.01924	1.3
214.02748	0.4
217.01454	0.9
218.02092	0.2
219.02940	1.5
221.04562	0.2
226.99945	0.6
228.00655	0.4
229.01408	12.0
230.02202	0.5
231.02950	4.5
231.76091	0.2
245.00903	2.6
247.02359	1.2
248.03305	0.4
249.04025	5.9
252.26009	0.2
254.99324	0.5
257.00903	9.6
258.01663	3.3
273.00473	0.8
274.01212	0.7
275.01971	36.2
276.02319	0.3
278.92221	0.2
281.31485	0.2
283.99643	2.4
291.01422	0.3
299.99063	3.2
300.99887	84.1
302.00302	0.3
319.01022	0.4
421.04269	0.2
425.20038	0.2
463.05090	0.4
481.06207	3.3
783.06842	100.0
784.07281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0246
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01873	10.0
57.03446	32.4
59.99330	1.5
64.05445	1.9
68.99567	17.0
69.03447	12.0
69.76760	4.7
71.01369	2.5
83.01398	4.9
84.02175	19.4
85.02948	100.0
86.03301	3.4
86.53188	1.8
92.18003	1.8
95.01391	2.7
98.22003	3.1
113.02444	19.5
114.01960	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	1137.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
80.23626	0.2
91.08717	0.1
95.01389	0.7
101.03993	0.2
115.05556	0.2
117.03490	0.7
119.05024	0.5
120.43501	0.2
121.02971	0.2
123.00900	1.2
124.01701	0.2
125.02462	1.0
129.03484	0.5
129.19250	0.2
131.05016	0.6
133.02982	0.6
135.04494	0.2
141.03564	0.2
145.02945	1.8
147.04497	1.5
154.05104	0.2
157.02950	1.2
158.03691	0.3
159.04498	1.5
161.02475	0.5
163.03973	1.1
164.01144	0.3
173.02444	2.4
174.03171	0.2
175.04018	2.2
175.15794	0.2
177.01942	0.8
177.05551	0.2
185.02420	3.6
187.03967	0.6
189.01891	0.8
190.02736	0.6
191.03596	1.4
191.05336	1.1
198.48724	0.2
199.00298	0.2
200.01077	0.4
201.01930	5.1
202.02716	0.5
203.03487	6.6
205.01408	0.4
207.03114	0.2
212.01076	0.3
213.01921	1.5
214.02713	0.5
217.01373	1.0
218.02235	0.3
219.03012	1.5
221.04512	0.4
226.99873	0.6
228.00616	0.5
229.01398	12.6
230.02097	0.5
231.02974	5.1
233.00854	0.2
244.00110	0.3
245.00888	2.1
247.02472	1.7
248.03185	0.2
249.04031	5.6
254.99258	0.4
256.00211	0.2
257.00909	10.8
258.01648	3.8
258.04385	0.2
267.06607	0.2
271.99680	0.3
273.00500	0.9
274.01257	1.1
275.01971	38.1
276.02258	0.6
282.98926	0.2
283.96536	0.2
283.99615	3.8
284.02628	0.3
291.01437	0.3
298.98499	0.2
299.99142	3.4
300.99884	91.5
302.00311	1.1
303.00589	0.2
353.09174	0.3
421.04047	0.3
461.67969	0.2
463.05225	0.3
481.06183	2.7
611.05255	0.2
693.68225	0.2
783.06830	100.0
784.06854	1.9
785.07092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	0.3
93.03481	0.4
95.01376	0.6
97.02927	0.3
98.90422	0.2
105.03452	0.2
107.01366	2.0
108.02180	0.5
109.02934	0.8
111.00877	0.7
111.53123	0.2
117.03455	0.8
119.05022	0.7
120.88978	0.2
121.02940	0.8
123.00873	1.9
123.04513	0.4
124.01656	8.1
125.02446	5.0
127.00375	0.3
133.02943	0.7
135.04514	1.0
137.02470	1.1
137.67160	0.2
138.03246	0.2
139.00369	1.0
139.04002	3.1
140.01158	1.0
145.02943	1.7
147.04575	0.4
148.01633	0.3
149.02425	1.0
151.00288	0.4
151.04015	0.5
159.04535	0.3
161.02425	3.4
162.03235	2.1
163.03981	1.8
164.01131	0.8
165.01917	2.5
166.99849	0.5
168.00635	11.0
169.01427	4.1
173.02382	1.2
174.03195	0.4
175.04010	0.5
176.01125	0.4
177.01883	0.9
178.02716	0.4
178.99861	0.3
179.03487	0.5
183.02971	9.6
187.03951	0.3
189.01868	1.4
190.02724	3.7
191.03514	2.9
192.00642	4.4
193.01410	6.1
203.03429	0.4
205.01398	2.8
205.05013	0.4
206.02188	3.6
207.02966	12.3
210.01735	0.5
211.02464	5.7
215.03336	0.3
219.02994	1.0
220.03796	0.4
221.00888	0.4
221.04482	0.5
222.01651	0.3
225.04056	0.9
232.03743	0.4
233.00929	0.7
234.01682	8.5
235.02451	10.4
237.04068	0.3
245.00916	0.3
246.01637	1.1
247.02402	0.6
249.04015	3.9
259.02448	0.5
261.03949	0.3
265.03595	0.3
276.02771	0.5
277.03519	1.6
279.05008	0.6
282.81458	0.3
294.03815	1.1
295.04684	2.2
309.06241	1.2
341.19308	0.2
461.07089	0.9
475.08228	0.3
478.07483	0.3
479.08356	1.3
493.10208	0.6
497.20364	0.7
620.26013	0.3
630.08429	0.7
645.10925	100.0
646.11279	0.9
700.89362	0.3
786.51544	0.3
834.24805	0.3
958.98145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
50.28874	1.4
53.81837	1.6
53.92075	1.3
61.30634	1.4
69.29722	7.4
71.01381	100.0
72.01725	3.5
76.26695	1.4
77.76361	1.4
79.24236	1.4
110.58123	1.6
112.46776	1.7
115.00378	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	1151.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03457	0.5
83.01392	0.2
85.02943	0.7
87.00880	0.3
95.01391	1.2
97.02939	1.0
98.21787	0.3
101.02442	0.6
107.01387	4.8
108.02169	1.3
109.02955	2.3
111.00885	0.9
111.20756	0.2
113.02448	0.8
117.86782	0.1
122.99979	0.2
123.00888	6.6
124.01656	4.1
125.02447	28.8
127.00396	0.4
136.98846	0.7
137.02460	0.4
139.00368	1.7
139.04008	0.2
140.01154	1.3
141.01939	1.2
145.02954	0.2
149.02463	0.6
151.00371	4.4
151.04002	0.3
153.01936	0.4
156.88474	0.1
161.42392	0.1
163.04005	0.5
165.01941	0.4
166.02750	0.2
166.99887	0.9
167.03503	0.5
168.00635	3.6
169.01421	38.6
170.01781	0.2
177.01942	0.3
179.03528	0.5
181.01472	0.3
181.05096	0.2
183.02994	0.3
191.03481	0.4
193.01404	1.5
195.02899	0.2
207.02962	0.4
209.04594	0.2
211.02443	2.1
223.02480	1.0
235.02400	0.4
237.04034	0.5
239.50917	0.1
241.03523	0.5
253.03493	0.9
261.03925	0.2
295.04553	1.3
297.06155	1.6
300.99756	0.1
309.47733	0.1
313.05655	16.1
405.08408	1.1
423.09314	26.7
424.09531	0.2
465.06732	10.5
575.10394	100.0
576.10614	0.9
610.90588	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	119.0349
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
52.45067	3.2
53.29021	3.0
54.07271	2.8
59.01376	100.0
70.65075	3.9
71.01371	31.2
73.02940	3.0
81.63705	3.1
83.01382	3.3
85.07561	2.8
118.92686	10.0
119.02528	8.1
119.03443	4.3
119.05028	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	123.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
51.07040	0.5
66.03491	0.9
67.01131	0.6
68.99810	4.1
69.03457	0.6
69.81557	1.5
69.81911	0.9
79.01882	1.0
94.02991	3.8
95.01385	100.0
96.01716	4.8
98.21975	0.9
108.02201	1.2
123.00885	71.6
123.04490	1.3
124.01249	3.5
124.04038	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	123.0089
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02371	1.3
53.00300	0.8
66.03474	1.6
67.01893	0.5
68.99815	4.0
69.03446	0.7
71.43317	0.5
79.01923	0.4
94.02987	4.5
95.01387	100.0
96.01723	4.8
96.04528	0.6
108.85240	0.4
118.49232	0.4
122.03716	0.6
123.00883	71.4
124.01668	4.0
124.04054	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01876	14.9
57.03448	73.0
59.01379	11.5
65.92922	4.4
67.01885	100.0
68.99809	16.9
69.44808	22.4
71.01388	33.5
72.99303	19.9
73.02944	16.3
80.14295	4.9
81.02981	4.9
83.01380	9.5
85.02940	45.0
86.06108	6.7
87.00864	10.5
88.04037	9.8
99.00862	6.9
100.97150	5.1
100.98819	9.9
101.02427	7.3
111.04529	6.6
112.39361	5.2
129.01958	39.8
130.08740	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	19.9
57.03449	44.8
59.01385	6.4
67.01891	100.0
68.99823	9.4
69.83105	13.7
70.22227	3.7
71.01373	14.5
72.99304	12.6
73.02928	7.5
83.01380	7.2
85.02953	49.8
87.00886	7.6
88.04031	4.4
96.99263	3.9
98.21917	5.6
99.00905	5.5
100.98814	7.6
124.35828	4.0
129.01927	39.9
129.07484	4.3
130.08775	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.31073	3.5
55.01860	12.5
55.31269	3.4
57.03207	4.4
57.03453	44.8
59.01356	4.0
67.01521	5.1
67.01891	100.0
68.99813	4.8
70.55235	7.9
71.01379	5.4
73.02943	6.4
83.01409	3.9
85.02945	18.3
98.21954	3.5
102.93995	4.4
115.82320	3.8
124.22094	3.9
128.90233	4.7
129.01933	17.6
130.06065	3.7
130.08640	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	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
55.01878	12.9
55.05493	4.4
57.03442	22.3
59.01372	12.3
64.44064	4.6
67.01888	10.9
68.99801	4.8
71.01377	6.0
71.43517	4.2
72.99284	6.1
73.02940	13.1
82.34940	4.8
83.05024	18.6
85.02943	43.8
85.06583	100.0
86.06116	12.7
88.04050	19.6
101.02444	7.2
105.83790	5.1
108.13464	4.6
111.00853	8.0
111.04522	33.0
112.04029	15.4
128.90184	29.6
129.01935	21.0
129.05565	49.4
130.08711	33.4
148.96501	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.83226	1.1
57.02124	1.1
57.03445	1.5
59.97698	0.9
69.79017	2.5
73.02954	1.2
76.07792	0.9
80.85010	1.1
85.02964	2.1
87.04528	2.9
111.97573	0.9
130.08739	100.0
131.03532	1.4
131.09062	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01363	1.4
70.80853	1.5
71.01377	67.0
72.01696	1.9
72.99302	14.7
74.24646	0.8
87.00858	1.9
89.02448	7.7
111.70422	0.8
115.00366	100.0
116.00710	3.3
133.01425	25.0
138.11159	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13521	0.8
50.26235	0.7
59.53900	0.9
69.76567	3.4
71.01379	63.5
72.01713	2.0
72.99304	17.5
87.00883	1.4
89.02428	7.6
97.98553	0.9
115.00365	100.0
115.83726	1.1
116.00694	2.4
133.01431	25.0
134.01685	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
65.71352	0.8
69.43165	2.8
71.01379	69.1
72.01727	1.5
72.99310	17.6
83.22889	0.7
87.00871	2.6
89.02441	8.2
90.10093	0.7
95.88443	0.8
105.58107	0.8
107.81773	0.9
115.00371	100.0
116.00712	3.1
126.83893	0.8
133.01433	25.3
133.05070	2.1
147.64998	0.7
149.60939	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	133.066
Annotation	Chavicol
Peak:m/z	Relative Intensity
57.36205	0.5
62.42478	0.6
63.06603	0.5
68.18628	0.6
70.71531	0.7
71.01375	6.3
72.99303	1.0
73.39366	0.5
87.04529	0.6
89.02431	0.8
90.01003	0.5
91.05547	0.8
95.84313	0.5
105.07099	0.8
106.04235	1.0
107.02515	1.9
107.03642	1.0
115.00359	7.4
123.04552	1.7
131.04974	2.5
132.05812	16.6
132.86797	18.0
132.90039	5.5
133.01466	1.2
133.06596	100.0
134.02498	0.7
134.03687	0.6
134.04709	2.6
134.06944	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	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
59.01375	12.3
70.60133	0.8
71.01375	4.4
72.01724	0.4
72.99305	9.1
75.00869	100.0
76.01212	2.1
84.77414	0.4
87.00883	1.5
89.02446	7.5
91.23062	0.3
95.95235	0.6
99.00887	0.5
117.00860	0.6
117.01937	3.0
117.09398	0.4
134.91629	2.2
135.03004	29.5
136.03328	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	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01849	0.4
59.01375	12.3
70.60133	0.8
71.01375	4.4
72.01724	0.4
72.99305	9.1
75.00869	100.0
76.01212	2.1
84.77414	0.4
87.00883	1.5
89.02446	7.5
91.23062	0.3
95.95235	0.6
99.00887	0.5
117.00860	0.6
117.01937	3.0
117.09398	0.4
134.91629	2.2
135.03004	29.5
136.03328	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	140.983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45655	0.6
59.01377	12.6
65.01434	1.3
68.99815	100.0
69.03461	0.9
69.64986	1.2
70.00144	3.2
82.95428	0.6
90.00942	1.3
96.99325	0.7
99.92593	1.7
114.00980	10.6
115.03053	0.6
139.09026	0.5
140.98318	1.8
141.02051	7.5
141.86841	0.7
141.89453	3.6
142.02431	0.7
142.04102	3.1
142.05141	2.6
149.42902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80269	2.0
53.00306	15.5
55.01863	5.8
57.03438	2.2
58.23091	1.9
59.01373	10.2
61.91964	1.8
68.99810	3.7
69.00462	1.9
69.03443	3.9
71.01382	45.7
71.05018	3.0
71.38678	2.4
72.79645	2.0
80.99811	6.0
85.02938	8.6
87.00872	8.2
96.99303	26.5
97.02950	2.3
99.00884	4.5
99.04514	13.7
112.98825	22.2
115.00359	4.9
115.04006	5.1
124.98805	89.4
125.02433	3.8
125.99163	3.1
140.98314	11.3
142.99863	100.0
143.03505	9.9
144.00179	4.0
144.06712	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19983	2.1
53.00305	14.4
55.01886	2.2
56.88357	2.1
59.01376	7.9
69.12065	9.4
69.12467	5.3
71.01378	37.3
75.06190	2.0
80.99805	6.0
83.01356	3.2
87.00871	7.2
95.05473	2.1
96.99318	15.1
98.22621	3.9
112.98803	22.4
115.00367	6.9
124.98804	59.1
125.99133	2.7
140.98312	9.8
141.50587	2.3
142.99857	100.0
143.03545	3.3
144.00223	2.5
162.21658	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	143.035
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
52.42124	5.5
55.01856	9.1
56.78804	5.8
57.03428	10.7
58.93424	5.4
59.01381	18.7
69.03463	26.9
69.29274	27.4
69.92467	7.0
71.01382	94.8
71.05019	11.3
71.31518	5.0
72.99301	22.0
73.02943	13.8
76.14038	5.8
81.03457	11.2
83.01391	9.8
85.02950	100.0
86.88477	5.4
87.00877	46.1
87.04507	6.2
97.02951	20.7
99.04527	36.0
114.68235	5.8
115.04018	11.1
124.98796	7.9
125.02419	13.4
135.27245	5.7
143.02484	9.6
143.03503	41.8
143.10695	7.7
144.04495	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
64.67772	1.5
71.01376	2.9
77.41888	1.3
83.05035	2.7
85.64865	1.4
87.00900	1.8
91.29729	1.6
97.06559	2.1
99.04520	1.5
99.08156	100.0
100.08501	4.5
101.06073	4.7
115.00349	3.0
118.02989	3.1
119.75612	1.3
144.96475	3.4
145.04036	3.5
145.05037	3.0
145.08704	51.6
146.02446	11.2
146.08984	2.6
156.13478	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	149.0454
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
55.01875	13.9
56.34515	2.6
59.01369	25.2
71.01381	14.3
71.06858	3.7
72.99303	11.9
73.02944	45.1
75.00869	100.0
87.00871	4.1
89.01927	4.5
89.02446	61.4
89.03003	3.4
92.47763	2.3
93.07681	2.5
101.02459	3.4
103.04014	9.3
131.03493	18.9
149.04552	67.6
152.96477	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	149.0455
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
55.01867	8.4
59.01377	20.5
59.46688	1.5
67.42291	1.7
69.03442	3.3
71.01385	26.7
71.19050	1.9
72.99315	14.5
73.02943	48.2
75.00871	86.4
75.30545	1.5
76.01189	2.1
85.02965	3.5
87.00411	1.7
87.00870	10.1
89.02443	100.0
94.99303	7.9
101.02415	3.5
103.03996	6.8
104.97715	6.1
121.02964	2.7
131.03505	18.0
141.10789	1.6
148.96660	4.5
149.04544	87.3
150.04849	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	151.04
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
59.01376	1.0
60.87329	0.5
69.03448	0.4
70.64130	0.7
71.01377	1.3
79.05531	0.4
81.03446	1.2
83.01395	0.5
89.02408	0.5
93.03464	1.0
93.75246	0.3
95.01369	0.7
95.05034	0.4
97.02931	0.5
101.02451	0.6
107.01390	0.8
107.05024	6.1
108.02171	100.0
109.02464	2.2
109.02998	1.7
110.02539	0.5
110.93461	0.4
121.02940	1.5
122.03739	14.4
123.00922	0.7
123.04529	41.2
124.04843	1.3
133.02965	3.6
136.01649	4.8
139.08124	0.4
148.01425	0.4
151.04007	9.4
151.05081	0.7
151.06055	0.5
152.03391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0556
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
68.99802	0.5
69.64603	0.8
69.64980	1.0
74.38264	0.4
81.03466	1.4
82.02991	0.9
87.05583	0.5
90.50043	0.4
93.03467	0.9
95.01404	0.6
95.05039	1.9
98.21964	0.6
105.03511	0.5
106.77316	0.4
108.02187	1.4
109.02957	13.0
109.06611	1.0
110.00126	0.6
111.04474	0.5
114.68385	0.4
122.03745	1.6
123.00961	1.0
123.04523	100.0
124.01679	2.3
124.04063	0.7
124.04869	3.8
125.02454	0.7
127.07676	0.5
135.04521	1.0
136.00340	0.6
136.04021	0.5
137.99551	1.3
138.03232	0.7
153.01950	5.6
153.03000	0.6
153.05571	21.5
154.01483	1.3
154.06052	1.0
170.42221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9986
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01877	100.0
56.02210	1.8
63.69116	1.2
66.15556	1.1
67.01889	2.7
69.08836	7.7
71.01373	7.1
73.60422	1.2
74.83761	1.1
75.35092	1.2
83.01382	49.5
88.78558	1.2
111.00860	2.0
112.98753	1.2
120.23856	1.2
127.00363	9.9
139.01422	1.3
154.99861	66.7
156.00172	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	154.9986
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
50.50822	0.8
55.01878	100.0
56.02206	1.9
59.45929	0.9
65.00323	1.3
67.01895	1.6
69.28210	5.3
71.01384	8.1
81.75938	1.0
83.01385	53.1
83.05016	1.2
84.01705	1.6
93.03445	4.6
111.00893	2.7
111.04529	1.9
112.98805	1.6
114.01127	1.0
114.05618	1.0
122.49352	1.1
127.00371	14.6
130.95772	1.0
154.99864	81.2
156.00188	2.0
172.40488	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	156.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23000	0.4
51.61544	0.4
56.75071	0.4
57.03433	0.5
57.85056	0.4
59.01376	100.0
60.01712	1.0
65.36786	0.4
68.99818	1.1
69.03466	1.6
71.01406	0.4
75.00890	0.5
86.06111	2.0
96.99320	0.5
99.00883	0.5
112.04024	2.2
114.05636	0.5
127.00441	0.5
130.26747	0.4
156.89482	2.3
157.08847	0.6
157.12369	1.3
158.04684	0.8
158.08263	1.6
165.97154	0.4
176.03249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
57.03444	71.8
58.03790	2.0
59.01374	70.6
64.27283	2.0
64.64364	2.1
69.03481	3.7
69.48818	8.9
71.01376	67.1
71.05016	35.1
72.99276	2.2
73.02940	51.8
75.00872	6.4
81.03455	9.8
83.01391	10.2
85.02946	55.5
87.00869	37.0
87.04498	2.4
89.02457	9.9
95.01392	7.8
97.02934	5.4
98.21883	4.8
99.00900	4.7
99.04511	100.0
100.04833	2.8
101.02431	37.9
113.02448	14.5
113.71886	2.7
115.03997	13.9
117.05568	30.6
117.06327	3.4
125.02461	3.9
131.03500	17.9
133.02968	3.1
133.99142	2.1
143.03490	40.5
161.02501	4.0
161.04561	58.5
161.05853	4.4
161.08182	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	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	15.3
57.03442	18.4
59.01382	41.6
59.29145	3.5
61.04791	4.3
69.59948	14.4
71.01381	100.0
71.05025	6.0
73.02952	43.1
75.00861	7.3
83.01385	17.1
85.02950	58.4
95.01395	11.7
96.80791	3.8
99.00887	6.7
99.04541	9.7
101.02437	35.2
102.36946	3.5
103.03844	3.7
113.02444	23.3
161.02484	5.0
161.04549	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	163.04
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
54.02373	0.3
54.58430	0.2
57.34821	0.2
69.63894	0.6
69.64278	0.6
91.05529	5.1
93.03440	0.9
101.52859	0.3
119.05023	100.0
120.05354	2.8
135.04581	0.4
162.83966	0.3
162.89380	0.4
163.00356	0.4
163.04010	6.8
164.04465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
57.72799	2.6
65.01449	4.2
131.26599	2.8
162.83905	47.0
163.11284	100.0
163.12677	5.2
164.11526	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.48670	0.7
69.09179	5.2
72.00907	38.3
75.00867	1.0
91.05522	4.9
102.66454	0.7
103.05524	5.4
118.06606	1.3
119.05113	0.8
120.05350	1.0
147.04521	100.0
148.04851	2.8
164.07164	53.1
165.07509	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	164.0717
Annotation	Tricaine
Peak:m/z	Relative Intensity
52.72678	0.5
69.25504	1.6
69.25902	1.0
71.01412	0.6
78.59949	0.5
80.04630	0.5
80.05030	2.7
93.03462	0.5
98.22624	0.8
108.08189	1.6
117.03477	0.7
120.04538	1.9
120.05361	1.8
121.02960	9.5
121.05336	12.1
121.06612	0.8
136.04048	2.0
136.07672	14.0
137.04892	1.2
137.07971	0.6
147.04510	1.1
149.04820	9.7
163.83977	3.5
164.03506	5.8
164.07156	100.0
164.83600	22.2
165.04088	0.7
165.05510	0.9
165.07555	3.5
165.08775	0.7
181.03772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
53.27694	0.4
55.68394	0.4
59.01357	0.5
63.15384	0.4
69.26618	0.9
69.27033	1.5
75.00871	1.2
77.03972	1.1
87.00880	0.8
99.00891	0.5
105.01944	0.5
121.02955	100.0
122.03274	2.5
130.37321	0.5
137.02489	0.6
141.53682	0.5
150.03275	0.7
163.92191	0.5
165.01932	10.1
165.04103	1.2
166.01372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01365	0.5
60.31134	0.4
69.08971	3.1
75.00871	5.4
77.03951	0.7
87.00884	2.4
93.03432	0.8
95.95196	0.7
96.95996	3.7
99.00858	0.5
105.01922	1.7
108.02132	0.7
117.90021	0.5
121.02953	100.0
122.02500	0.7
122.03235	2.4
123.05679	0.6
134.50938	0.5
137.02414	1.1
147.03079	0.7
149.00954	0.7
150.03221	0.7
164.89571	0.4
165.01958	10.4
165.04041	4.5
165.05460	1.1
166.01456	1.4
166.05055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
55.01868	1.6
57.03442	3.1
59.01378	15.0
65.82427	0.5
66.06502	0.5
68.64822	0.5
69.97649	1.7
71.01382	5.4
72.04836	0.5
72.99301	6.1
73.02963	1.5
75.00871	100.0
76.01200	0.6
82.54481	0.5
83.01414	0.6
85.02950	2.1
87.00876	29.3
88.01195	0.7
89.02473	3.5
89.02953	0.6
99.00886	7.2
101.02444	2.0
105.01935	21.1
111.00881	2.0
117.01956	2.2
129.01942	8.5
147.02994	11.1
161.20216	0.6
165.04036	69.4
166.04405	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	165.0556
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
59.01356	0.7
65.03977	2.1
69.06556	0.5
70.78223	0.7
77.03977	1.2
79.05527	4.0
81.03465	2.7
85.02940	0.7
86.00303	0.5
91.05545	1.8
92.99873	1.2
93.03438	1.0
93.07111	3.6
95.05037	3.3
102.04776	0.5
103.05563	2.5
105.03436	3.0
106.04262	1.5
108.02176	4.0
109.02929	2.8
119.05029	27.1
121.02956	24.5
121.06577	4.6
122.03766	3.1
123.04522	13.1
136.01636	0.7
137.02478	1.8
137.06082	22.8
138.06459	0.6
146.03729	4.6
147.04520	100.0
148.04857	3.7
149.01003	1.1
150.03183	3.2
164.83621	19.6
164.89711	0.7
165.01935	2.8
165.05560	29.6
166.01428	3.6
166.05975	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	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
67.01893	1.2
67.54204	0.2
68.99811	0.3
69.41853	0.7
69.42258	0.7
71.01375	0.5
83.01406	1.8
95.01405	2.1
107.01392	1.1
108.02174	41.1
109.02520	1.1
111.00884	7.2
111.01657	0.5
123.00895	3.9
123.04518	0.9
124.01666	5.6
124.98433	0.4
126.01864	0.3
135.00914	0.8
139.00397	1.8
152.01152	28.0
153.00500	0.5
153.01599	0.6
167.03496	100.0
168.03894	3.2
184.40773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	100.0
59.01377	3.3
61.98815	7.8
69.03455	1.9
82.95417	10.0
83.01361	1.5
96.04569	9.3
96.99287	1.5
97.02942	2.7
103.01479	1.4
108.04512	1.6
123.00861	7.8
125.02457	27.3
125.09711	2.1
125.98545	3.9
126.01982	3.8
132.86803	18.2
141.02078	2.6
150.01944	2.2
153.00676	49.3
167.83560	1.5
167.87115	11.1
167.99496	2.9
168.01817	2.2
168.03033	27.5
168.06482	1.3
168.10310	3.0
168.13762	8.8
168.83621	6.7
169.01428	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	169.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87269	0.3
53.64924	0.3
57.03436	0.6
57.91224	0.4
67.01922	0.3
68.99805	0.3
69.03449	5.9
69.06703	1.3
69.07123	0.8
70.39320	0.3
71.01390	1.0
76.22736	0.3
76.45079	0.3
79.01891	2.2
81.03443	4.2
81.88538	0.4
83.01392	1.2
85.02962	0.5
86.31545	0.3
95.01395	1.2
97.02941	4.9
98.22619	0.6
99.00908	0.7
107.01375	1.8
113.02457	1.2
123.00884	0.4
124.01688	1.4
125.02441	100.0
125.99602	0.4
126.02774	2.5
133.67868	0.3
151.00362	3.3
157.53961	0.3
169.01416	41.3
170.01788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
54.23892	0.2
57.40846	0.3
67.01897	0.4
69.03453	5.3
69.82793	0.2
71.40566	0.3
75.17844	0.2
79.01888	2.2
81.03456	3.9
83.01381	0.6
95.01381	0.6
97.02953	5.2
107.01401	1.1
114.75121	0.2
115.55463	0.3
116.22000	0.2
122.43773	0.2
124.01616	1.5
125.02445	100.0
126.02764	2.9
151.00374	0.4
166.13300	0.3
169.01418	34.5
170.01743	1.1
171.14185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51147	0.5
57.03450	0.6
58.02959	0.5
62.03669	0.4
65.00327	0.5
67.01891	0.7
69.03456	7.9
69.72453	1.4
79.01913	2.1
81.03448	3.6
83.01371	4.1
85.02940	0.6
95.01402	3.6
97.02945	7.6
97.06609	0.6
107.01385	5.4
110.02514	0.5
113.02399	0.6
123.00884	1.7
124.01646	2.4
125.02443	100.0
125.09734	1.5
126.02769	2.7
126.90392	0.7
142.42839	0.4
151.00372	17.5
152.00671	0.6
153.00734	0.5
154.01016	0.7
167.87746	0.4
169.01418	64.0
169.08672	0.7
170.01749	2.1
180.81839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00304	1.4
55.01876	7.8
57.03455	4.1
59.01387	5.8
67.01875	3.4
68.99809	1.9
69.03451	1.5
69.65701	1.7
71.01381	100.0
72.01717	1.6
72.99304	3.9
73.02946	15.2
80.99809	1.7
81.03458	2.1
83.01379	5.5
83.05034	6.6
85.02961	7.1
85.06571	1.7
87.00873	18.9
91.85950	0.7
93.03458	32.2
93.37148	0.7
94.03799	0.9
96.99342	4.0
99.00881	47.7
99.04522	4.5
100.01187	0.9
101.02432	1.4
111.00919	4.0
111.04520	22.5
112.98811	5.7
113.02422	1.0
115.00350	1.9
115.27038	0.7
124.97918	1.7
124.98813	29.1
129.01921	3.7
129.05588	3.7
137.02463	7.1
142.99864	49.4
143.03491	1.1
144.00108	1.1
154.99815	1.3
155.03499	8.5
165.29214	0.8
173.00925	21.0
173.04500	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00296	2.5
54.61788	1.3
55.01872	7.3
57.03444	2.1
59.01372	9.6
60.30259	1.5
63.22058	1.3
67.01884	6.0
67.12805	1.4
68.99811	2.5
69.53813	5.3
71.01381	100.0
72.01709	1.4
72.99297	6.7
73.02939	11.4
80.99828	2.1
83.01372	9.1
84.99339	1.7
85.02956	3.6
87.00870	4.9
92.95116	1.6
93.03450	14.8
96.99294	4.6
99.00877	43.9
99.01526	2.5
101.02424	2.2
103.97953	1.6
111.00844	4.9
111.04484	3.6
112.98808	47.8
115.00353	5.0
123.12397	1.6
123.84953	1.5
124.98819	27.1
129.01901	2.2
142.99860	66.9
144.00253	2.2
154.99876	2.7
173.00925	16.4
173.04538	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	173.0453
Annotation	Shikimate
Peak:m/z	Relative Intensity
55.01879	7.4
57.03432	3.9
58.00581	1.7
59.01356	2.3
64.88483	0.9
65.03956	2.2
67.01870	3.4
68.99816	2.6
69.03439	1.9
71.01376	100.0
72.99303	2.6
73.02940	44.4
80.99786	1.4
81.03458	5.6
83.01379	6.5
83.05025	17.8
85.02449	2.2
85.02946	31.5
85.36208	1.0
87.00892	1.3
93.03451	86.2
94.03790	2.8
96.99309	4.1
99.00876	51.8
99.04504	13.7
101.02441	1.2
111.00874	18.1
111.04512	28.2
111.05294	1.3
112.98779	1.5
124.98793	30.5
129.01939	10.0
129.05464	1.2
137.02446	20.5
142.99854	47.4
143.03506	3.7
150.33856	1.0
154.99832	3.4
155.03490	9.7
169.99924	1.2
173.00912	21.9
173.04564	13.4
185.78267	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	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
56.64226	0.5
57.03431	1.5
59.01379	36.4
63.73513	0.5
68.99805	0.6
69.03441	0.6
69.11432	2.8
71.01380	38.2
72.99310	3.8
73.02955	3.2
83.01386	1.9
85.02967	3.2
87.00874	86.0
88.01231	0.8
96.26669	0.6
96.99316	0.7
98.21848	1.1
99.00865	1.0
101.02443	0.7
112.98827	1.6
113.02422	1.1
115.00373	100.0
115.66219	0.6
116.00701	1.5
127.00413	0.8
131.07130	0.8
132.98209	2.1
174.99268	1.1
175.02484	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	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.01857	0.8
57.03434	1.4
59.01376	33.0
67.01891	0.7
69.58342	1.9
71.01379	34.2
72.99306	2.3
73.02953	3.4
76.61320	0.5
83.01386	1.9
85.02946	2.2
87.00874	85.5
88.01223	0.6
98.21874	0.9
99.00945	0.8
101.02456	1.2
112.98794	1.3
113.02389	0.6
114.94517	0.6
115.00372	100.0
116.00708	1.4
121.67249	0.6
127.00332	0.7
145.84596	0.6
175.02470	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03453	1.7
59.01377	36.5
67.01884	0.9
71.01379	36.1
71.44941	1.0
72.99293	2.8
73.02924	4.0
83.01379	1.2
85.02950	2.8
87.00873	85.9
99.00865	1.2
112.98796	0.8
113.02425	0.8
115.00370	100.0
116.00715	2.3
117.66343	0.7
127.00413	0.9
132.98172	1.1
175.02477	25.4
188.65201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.01868	1.0
57.03424	0.7
59.01377	41.7
68.99818	0.7
70.08208	0.7
71.01379	37.4
71.24540	0.7
71.44249	0.8
71.44633	0.7
72.01711	0.7
72.99301	3.4
73.02934	3.1
75.00879	1.0
83.01380	0.8
85.02951	3.4
87.00874	81.1
88.01223	0.8
93.84960	0.7
99.00857	0.8
112.98796	1.7
113.02469	1.0
115.00369	100.0
116.00690	2.6
127.00430	0.9
132.98204	5.2
153.29498	0.7
174.82805	4.8
174.99252	1.9
175.02481	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03439	0.8
59.01378	32.4
59.13261	0.7
71.01382	35.2
72.99306	2.8
73.02950	3.5
78.50941	0.6
83.01375	1.1
84.84914	0.6
85.02962	3.8
87.00877	79.3
89.32256	0.6
99.00838	0.8
112.98803	1.6
115.00375	100.0
116.00708	1.6
127.00391	0.7
128.55588	0.7
132.98216	1.4
175.02478	27.9
176.02863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03437	1.4
59.01070	1.0
59.01376	20.4
61.01360	0.5
61.42542	0.5
64.22636	0.5
68.99810	0.8
69.03456	0.8
70.99596	0.6
71.01379	5.2
71.05000	0.7
72.99300	0.6
73.02952	0.5
75.00858	0.6
85.02937	1.1
85.06587	42.0
87.00871	6.7
87.04510	1.1
93.03469	0.9
93.47356	0.5
107.10432	0.5
113.06084	39.8
114.06413	0.6
115.00379	8.5
115.04008	100.0
116.04324	1.5
129.05585	1.5
131.07132	8.0
132.98213	4.3
135.04495	2.7
157.01463	0.6
157.05042	8.5
174.88919	0.6
174.99236	1.8
175.02478	3.1
175.06116	60.0
176.03575	0.9
176.06451	1.2
179.03500	1.7
181.84883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01375	10.4
67.01884	4.9
69.03457	2.0
71.01378	2.5
71.44328	1.1
81.03461	3.3
83.05026	2.7
85.02953	6.4
87.00890	7.3
93.03462	22.2
99.00877	1.5
105.03451	1.7
107.05045	1.3
108.02172	4.0
109.02975	5.9
110.91499	0.8
111.04507	4.5
113.02442	1.0
115.00417	1.3
115.04014	1.6
118.06797	0.9
120.18450	1.0
129.01920	4.6
133.02950	5.4
134.03778	7.4
135.04526	100.0
136.04846	5.7
137.02428	1.7
155.03542	1.7
161.02446	3.6
162.03175	2.8
173.04459	1.4
176.04034	13.1
176.07140	1.4
176.54230	1.4
177.01923	7.9
178.02745	1.1
179.03491	68.3
180.03868	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00197	0.2
59.01375	1.0
69.25970	0.9
69.26378	0.5
71.01375	0.3
74.79805	0.2
77.05634	0.2
87.00859	0.4
96.96031	0.3
98.28220	0.2
119.93723	4.0
120.93795	0.5
121.07517	0.2
123.46001	0.2
134.96085	40.7
135.96170	1.6
136.94005	100.0
137.94069	4.8
151.92709	10.5
178.95053	72.1
179.05743	0.3
179.95161	4.3
196.96115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
59.01379	15.5
59.61360	0.4
66.49524	0.4
71.01379	10.1
71.44050	0.5
73.02950	1.4
75.00868	4.2
83.01380	0.6
85.02950	2.4
87.00877	5.7
89.02444	5.0
91.05533	45.4
92.05849	1.1
93.03451	0.4
99.00876	1.8
101.02447	1.4
103.62692	0.4
113.02445	1.0
117.01970	1.2
118.99339	0.8
121.02967	0.7
125.02453	1.0
135.04526	100.0
136.04877	2.7
136.93980	0.4
151.07693	0.4
161.04568	4.3
164.01212	0.4
179.00047	0.8
179.03513	11.5
179.05617	6.6
179.07091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84841	1.2
55.01876	1.3
59.01376	100.0
60.05716	1.2
67.71607	1.1
69.31121	6.9
71.01378	52.7
72.99309	1.7
75.00866	8.3
75.25237	1.5
83.01405	1.1
85.02958	6.2
87.00890	3.0
89.02437	26.4
95.01350	2.2
99.00854	1.6
101.02458	7.4
113.02426	6.1
119.03485	3.0
135.04501	1.6
159.58418	1.4
161.04495	3.2
168.86145	1.2
179.05647	8.5
179.06920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57844	0.6
53.98156	0.6
59.01377	18.6
63.47598	0.6
67.14582	0.5
69.82747	1.6
71.01375	6.4
71.05015	2.0
72.99308	5.7
73.02958	6.5
75.00871	100.0
76.39502	0.6
81.03459	4.1
85.02968	1.9
87.00874	7.2
89.02451	3.3
96.96016	0.8
97.02945	1.0
99.00902	5.7
99.04517	1.7
101.02413	0.7
112.41183	0.6
125.02448	3.3
135.04524	1.6
143.03516	8.0
150.56393	0.6
154.20668	0.6
161.04549	11.9
179.05609	73.7
180.05855	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	179.056
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.08307	0.6
59.01378	17.4
69.19423	2.9
71.01376	8.9
71.05017	2.1
72.99310	6.5
73.02943	7.5
75.00871	100.0
81.03449	4.3
85.02943	1.7
87.00868	5.9
89.02448	2.2
93.28587	0.5
97.02980	0.9
98.22655	1.3
99.00869	6.3
99.04533	1.7
101.02412	0.7
112.97242	0.7
113.02456	1.2
118.15673	0.6
125.02437	2.5
136.16980	0.6
143.03499	8.2
161.04572	11.5
161.05859	1.1
179.05614	66.0
180.05972	1.7
191.23969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
57.42352	1.3
58.00570	1.9
59.01378	100.0
65.12708	1.2
70.31781	2.9
71.01379	43.4
71.59643	1.2
72.99300	1.6
73.02946	1.5
75.00853	4.1
85.02953	5.7
87.00870	1.9
89.01927	1.9
89.02448	24.4
95.01408	1.3
101.02430	4.9
110.13553	1.3
113.02436	4.4
119.03500	3.3
179.05565	4.1
189.84206	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	182.0457
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
61.73531	0.2
70.68694	0.4
70.69020	0.4
79.01945	0.4
91.77709	0.3
92.05058	3.3
94.02988	0.8
98.21904	0.3
108.04553	49.7
109.04890	1.0
110.06120	0.6
120.04561	4.1
122.02445	0.3
123.03239	1.1
136.04010	0.8
138.05605	100.0
139.05956	2.5
150.72282	0.3
152.03537	0.6
182.04573	27.2
183.04945	0.8
187.46852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0297
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
69.34339	1.8
74.81406	0.3
78.01095	0.8
78.15768	0.4
82.00599	1.0
83.01385	0.8
86.00087	0.8
110.00071	0.6
111.00887	3.2
123.00880	1.2
124.01657	53.6
125.02007	1.5
127.00352	1.5
136.98813	2.9
139.00375	4.3
140.01161	5.5
151.00380	0.7
154.99870	0.7
164.41347	0.4
168.00633	14.0
169.00917	0.4
183.02975	100.0
184.03314	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	183.1026
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
53.35053	0.3
54.62705	0.3
57.03444	1.1
57.93366	0.3
59.01350	0.4
61.98848	0.6
63.26116	0.3
67.01868	0.5
68.99554	1.0
69.03455	2.8
70.03837	0.3
72.84950	0.3
80.02660	0.6
83.01387	0.4
83.05026	3.7
85.06587	7.6
95.05043	1.6
97.06586	8.5
104.22073	0.3
111.00880	1.2
111.08160	1.2
112.04050	0.3
112.98557	1.5
121.10212	0.5
122.34612	0.3
123.08148	4.8
124.01641	1.0
137.09758	1.8
139.00380	0.5
139.11290	100.0
140.11649	3.0
165.09186	0.8
167.99370	0.8
168.00676	0.8
182.93112	0.4
183.00478	1.0
183.03001	2.5
183.10246	4.9
183.13957	0.4
184.01051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.01
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.5
60.45158	4.8
70.86671	5.2
98.22675	12.5
124.12626	5.2
128.44537	5.3
140.02037	40.8
140.89696	5.2
141.99959	8.7
165.74133	6.1
184.00986	100.0
185.01157	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	187.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.0
55.01877	7.9
59.01380	9.8
65.00311	3.0
68.99816	1.2
70.62700	2.0
71.01381	14.6
73.02942	1.0
80.99818	4.1
81.86148	0.8
83.01378	11.8
83.05014	1.5
87.00862	1.0
90.97125	2.7
97.06564	2.6
98.70993	0.9
99.00879	100.0
99.02707	2.7
99.08160	1.0
100.01194	1.3
100.37094	0.9
100.98802	2.2
108.99293	1.2
110.84209	0.9
111.00867	5.2
112.98787	1.1
113.02447	1.1
115.03981	0.9
120.60155	0.9
124.98840	1.7
125.06085	21.3
125.09753	6.3
125.99577	3.0
127.00388	17.4
127.03999	1.9
129.01907	1.7
130.76775	0.8
132.98206	3.3
136.98795	8.7
141.01938	2.4
142.22464	0.9
143.07132	3.2
144.04568	0.9
154.99881	8.3
159.01508	2.2
159.02872	1.0
168.89032	1.0
169.01419	7.6
169.05101	1.6
173.00894	3.4
186.95607	2.6
187.00990	1.2
187.02505	10.7
187.06219	4.3
187.09706	3.5
187.13385	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	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.70369	0.3
57.03451	3.7
58.06860	0.2
59.01374	1.0
64.13994	0.2
71.45783	0.4
79.05785	0.3
83.05062	0.3
95.05049	0.6
97.06590	11.3
99.08176	0.4
103.24504	0.3
123.07310	0.2
123.08160	5.6
125.09720	100.0
126.10067	3.0
143.10786	2.2
145.08713	1.0
156.11491	0.3
169.08694	2.4
187.09749	51.7
187.62633	0.3
188.10080	1.7
197.75549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03438	1.8
59.01377	4.2
61.98823	2.4
62.03387	0.5
68.09506	0.5
71.01405	0.6
73.02934	1.2
82.52006	0.5
83.05021	0.9
92.76197	0.5
98.21870	1.3
99.08149	22.6
101.06039	0.7
120.04527	1.1
120.24599	0.5
127.07646	28.3
128.07982	0.7
129.05574	100.0
130.05899	1.7
130.72690	0.5
142.86771	0.8
143.86502	4.2
145.08736	3.4
160.97661	1.0
161.87540	1.3
171.06627	4.2
189.03041	1.5
189.07674	45.0
190.07996	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	191.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81452	0.2
57.03436	0.2
59.01374	2.3
62.03771	0.2
67.01913	0.4
70.67516	0.4
71.01397	0.8
73.02946	0.5
77.03942	0.4
81.03457	0.5
83.05039	0.4
85.02949	9.1
87.00887	2.5
87.66949	0.2
93.03460	2.7
94.99290	0.3
97.02960	0.2
99.04500	0.3
109.02953	0.5
110.63464	0.2
111.00887	3.7
111.04530	0.8
118.99316	5.1
119.05018	1.2
121.02956	100.0
122.03313	1.7
127.04014	1.7
129.01984	0.2
137.00317	0.9
142.11957	0.2
145.86378	0.2
146.98772	0.6
147.04521	6.2
171.02989	0.4
173.04562	0.8
190.97791	1.8
191.03534	6.5
191.05589	39.5
192.04182	0.3
192.05951	1.0
207.62837	0.2
212.05469	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	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03431	0.6
59.01376	3.3
60.01001	0.2
67.01884	0.9
67.25065	0.2
69.03436	0.7
71.01376	1.4
71.27521	0.3
72.64192	0.2
72.93539	0.2
73.02942	0.7
81.03437	0.9
83.05018	1.1
85.02950	22.0
86.03278	0.3
87.00874	4.4
93.02859	0.4
93.03455	7.4
99.04510	1.0
109.02972	1.6
111.00890	1.2
111.04508	2.5
117.23521	0.2
127.04013	4.7
128.07878	0.2
137.02432	0.4
152.63199	0.2
155.03458	0.3
164.01132	0.4
171.02948	1.1
173.04562	2.0
182.70280	0.2
191.05608	100.0
192.00681	0.8
192.05992	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	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.44001	0.2
57.03445	0.5
59.01373	3.1
60.99294	0.2
65.03932	0.1
66.27970	0.2
67.01878	1.2
69.03440	0.7
69.56370	0.6
71.01375	1.7
71.15476	0.2
73.02947	1.0
81.03448	1.0
83.05028	0.7
85.02945	23.5
86.03282	0.3
87.00869	4.5
93.03448	7.5
97.02975	0.2
99.00854	0.3
99.04519	0.8
101.02452	0.2
108.02153	0.2
109.02959	2.0
109.48552	0.1
111.00891	0.4
111.04523	2.3
113.02451	0.3
127.04002	4.6
137.02446	0.5
150.04182	0.1
155.03479	0.4
171.02979	1.3
171.21399	0.1
173.04547	1.6
191.05595	100.0
192.05940	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	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01373	3.7
67.01887	0.8
69.03458	0.5
70.85716	0.8
71.01371	1.5
71.47726	0.4
73.02915	1.5
77.65991	0.5
77.73940	0.4
79.50735	0.4
81.03436	0.7
81.36584	0.4
83.05013	0.4
85.02946	22.6
87.00872	4.7
88.88444	0.5
93.03448	7.7
99.04514	0.8
109.02952	2.2
111.00877	1.8
111.04515	2.7
116.03456	0.4
123.29394	0.4
127.03990	4.3
137.02487	0.5
155.03410	0.7
171.02998	1.6
172.58601	0.4
173.04582	2.2
180.87459	0.4
191.05609	100.0
192.05930	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	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03436	1.2
59.01376	4.3
62.70419	0.2
65.03990	0.3
67.01905	1.5
69.03457	0.6
70.86053	0.3
71.01383	2.2
71.12141	0.3
73.02950	1.2
81.03448	1.2
83.01450	0.3
83.05019	1.2
85.02947	26.9
86.03297	0.3
87.00876	8.7
92.15524	0.3
93.02862	0.4
93.03453	7.8
93.04020	0.6
94.03778	0.3
99.00879	0.5
99.04501	0.8
105.86842	0.3
109.02941	2.0
111.00137	0.6
111.00876	7.3
111.04502	2.6
113.07138	0.3
127.04018	5.3
129.01971	0.4
137.02486	0.6
163.00378	0.5
171.02992	1.0
173.04562	2.1
178.69249	0.3
182.17419	0.3
191.05602	100.0
192.05957	2.6
193.86317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.82312	0.2
52.98739	0.3
57.03450	0.7
59.01375	2.8
67.01881	0.9
68.86823	0.3
69.03442	0.6
71.01378	2.0
73.02925	0.9
81.03467	0.7
83.05011	0.8
85.02947	21.4
87.00874	7.6
93.03455	6.1
99.04517	1.1
109.02966	1.7
111.00880	8.2
111.04529	2.0
112.48798	0.3
113.02473	0.6
118.99295	0.4
127.04009	3.9
129.01927	0.5
145.28662	0.3
146.83624	0.3
155.03554	0.3
171.02974	1.6
173.04599	1.8
191.05605	100.0
192.05933	2.2
214.31134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32974	0.3
69.33282	1.4
92.77293	0.2
101.91335	0.3
105.03419	0.3
106.04242	0.6
109.02960	0.4
121.02934	1.1
123.05747	0.3
133.02953	16.4
134.03743	31.4
135.04068	0.6
136.01608	0.5
137.02438	6.7
139.03989	2.2
149.06085	0.7
150.03191	0.8
161.02435	24.3
162.02776	0.7
178.02702	4.4
193.05043	100.0
194.05415	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	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
56.72723	0.6
57.03450	4.5
59.01376	25.4
68.99782	0.8
69.03461	1.3
69.72237	1.5
69.72584	0.7
71.01376	14.3
72.99305	4.2
73.02951	1.0
75.00869	100.0
75.35003	0.4
76.01194	0.7
76.73338	0.5
77.24589	0.5
80.96505	2.9
83.01390	1.7
85.02947	8.6
87.00871	17.0
87.04538	1.1
89.02446	7.3
90.89284	0.5
94.83236	0.5
96.96021	1.3
97.02954	0.9
98.21953	0.6
99.00879	26.0
101.02441	2.2
105.01956	0.6
107.01740	2.1
111.00890	2.9
113.02425	1.1
129.01939	35.5
130.02318	0.8
131.03516	0.7
140.03670	0.5
141.01938	3.0
159.02980	14.2
159.04243	1.0
177.04028	7.6
195.05080	72.2
196.05463	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
54.73036	0.3
62.08913	0.2
70.85934	0.2
71.05228	0.4
103.76646	0.2
109.06580	3.6
111.08163	3.6
122.03767	0.5
125.09731	0.9
135.11800	0.3
138.06874	3.0
139.07668	0.3
151.11240	0.6
152.91803	0.3
160.84207	7.6
167.14415	7.0
167.96617	0.2
179.10757	3.6
179.14214	0.3
195.13890	100.0
195.81107	3.7
196.14227	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	197.0454
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
50.63959	0.2
51.02406	0.2
52.41945	0.2
67.01874	0.3
69.03462	0.6
75.50359	0.2
79.01905	0.7
79.47302	0.2
84.15976	0.2
95.01394	0.7
97.02967	0.6
118.73489	0.2
123.00879	20.6
124.01194	0.6
138.03183	0.3
139.00378	2.1
141.01938	3.6
153.05528	0.2
166.99852	20.0
167.99258	0.3
182.02199	100.0
183.02644	2.2
197.04538	22.6
198.04749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.38820	0.8
59.01367	0.8
61.98812	2.2
69.03459	1.1
69.79341	0.7
71.05026	1.4
71.44150	0.7
75.85715	0.9
88.94143	0.8
89.29063	0.8
95.01386	2.2
97.06584	16.9
99.08153	5.6
107.06156	1.6
121.02923	1.9
122.03718	2.9
123.00871	5.9
126.03233	1.6
126.90514	5.2
137.02467	0.9
137.09744	2.2
138.03233	1.6
151.11261	1.3
152.96007	1.4
153.01939	1.1
153.05527	0.8
153.12846	100.0
154.13188	3.3
160.84213	14.6
161.84270	1.9
162.83905	35.2
166.99846	3.9
167.99355	5.1
179.10774	25.3
182.02182	11.4
183.01666	5.6
197.02075	4.1
197.04506	2.0
197.11839	10.4
197.15468	0.9
197.80782	21.3
198.04128	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01870	0.7
58.05891	0.4
70.79619	0.4
71.44743	0.5
73.02946	2.8
81.44591	0.4
83.01392	1.3
90.96238	0.4
111.00898	0.8
127.93144	3.3
135.08156	1.4
137.09721	7.7
139.93144	1.1
154.95500	2.6
155.10777	100.0
156.11125	2.0
162.35529	0.3
168.99756	0.5
198.94412	0.5
199.09756	7.9
199.13435	0.6
199.17004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01899	0.3
56.27134	0.3
57.03407	0.3
59.62236	0.3
69.32301	0.7
69.32705	1.0
73.02947	2.4
77.98069	0.3
83.01370	0.4
83.05019	0.4
85.02893	0.4
92.99904	0.3
99.00871	0.6
100.06184	0.3
127.00333	0.4
127.93143	2.5
135.08138	1.7
137.09715	8.4
139.93159	0.9
140.23892	0.3
154.95493	3.1
154.99962	0.3
155.10777	100.0
156.11104	2.4
181.08667	0.3
184.01974	0.4
198.94446	0.7
199.09763	7.5
199.13379	0.5
199.16972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99335	0.3
59.01379	100.0
69.89241	0.3
71.06543	0.4
73.62918	0.3
113.04559	0.4
136.94061	0.3
141.74429	0.3
157.02339	0.5
157.03564	6.5
159.01492	1.9
201.02551	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97387	0.3
59.01376	100.0
60.01714	0.6
64.35203	0.3
70.66463	0.3
71.44556	0.3
72.99281	0.3
91.85921	0.3
113.04608	0.3
115.02508	0.5
139.05971	0.3
153.87140	0.3
157.03557	6.6
159.01482	2.6
183.04900	0.5
201.02536	17.5
201.05664	0.7
202.02684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17123	0.3
53.55426	0.3
59.01378	100.0
60.01720	0.4
60.43921	0.3
69.72453	1.0
80.08718	0.2
102.09335	0.3
104.57093	0.3
113.04619	0.6
115.02424	0.3
157.03568	6.9
158.03716	0.3
159.00342	0.3
159.01494	2.2
181.71973	0.3
201.02553	14.0
202.02734	0.6
212.48386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.39937	0.6
59.01375	3.3
72.00907	20.0
74.02473	43.7
100.55135	0.8
113.13535	0.7
116.05064	100.0
117.05424	2.2
128.05032	0.8
129.05856	1.7
130.06630	2.2
142.06625	28.1
151.96538	0.7
152.54684	0.8
159.09276	20.9
159.10519	1.6
174.99234	2.2
186.05641	3.5
202.98766	1.1
203.08255	73.9
204.08687	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.8
56.99788	2.3
57.34233	1.8
57.50420	1.7
59.01377	95.2
66.34589	1.7
68.99811	12.9
69.84457	7.0
71.01377	78.7
72.86662	1.9
72.99307	36.9
73.02939	9.1
73.92606	1.7
75.00869	30.3
83.01405	10.1
85.02930	3.3
87.00867	40.9
89.02425	7.6
95.20576	2.2
96.99308	7.8
98.00114	2.3
98.22501	2.6
99.00877	44.3
101.02438	8.2
103.00339	6.3
111.00852	11.1
112.70547	1.8
112.98795	5.9
115.00372	100.0
117.01949	15.1
124.98806	13.5
125.02451	6.9
127.00365	9.4
127.08903	1.9
129.01942	11.7
134.19301	2.0
142.99854	22.4
145.01442	17.1
154.99852	19.2
156.55794	1.8
157.01427	4.1
160.71417	1.9
161.94597	1.8
173.00891	5.6
175.02496	10.0
205.03477	6.4
205.15894	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.8
55.01882	7.0
57.03416	1.6
58.00590	1.3
59.01377	91.3
67.01880	1.6
68.99816	10.7
71.01379	84.6
71.10874	1.1
72.01712	1.2
72.99306	35.8
73.02946	11.8
74.06385	0.8
75.00869	34.6
80.99811	1.1
83.01382	12.0
83.20893	0.8
84.99263	0.8
85.02920	3.7
87.00874	44.8
88.98795	1.2
89.02433	8.2
91.56696	0.7
94.98006	0.8
96.99312	8.6
98.00095	1.6
99.00872	36.9
100.98780	1.2
101.02451	7.6
103.00370	7.0
111.00862	11.6
112.98807	7.8
115.00372	100.0
116.00676	1.8
117.01936	14.1
124.98800	14.0
125.02434	2.5
127.00366	12.0
127.01199	1.5
129.01941	12.4
133.01389	1.0
142.99861	29.3
145.01421	16.3
154.99861	16.8
157.01373	1.7
173.00919	4.6
175.02475	12.4
187.02419	1.3
195.38864	0.8
205.03477	6.3
205.08958	1.1
205.15892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0869
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
59.01377	3.5
59.01627	0.4
68.99844	0.3
70.08020	0.8
71.01380	2.6
72.99317	1.1
73.02950	0.5
75.00880	1.0
78.91870	0.3
79.68582	0.3
87.00883	1.2
96.99297	0.4
99.00871	1.7
111.00842	0.4
113.02456	0.3
114.44882	0.3
115.00371	3.3
121.02896	0.7
122.03741	8.5
124.98820	0.5
135.04556	0.4
142.99886	0.7
145.01337	0.4
147.04521	9.0
148.05240	0.6
149.06079	1.2
154.99844	0.5
161.02461	0.6
161.06081	1.1
175.02748	0.4
175.03999	20.2
176.04781	100.0
177.05128	2.6
177.09267	2.0
187.07597	1.1
205.08685	34.7
205.15981	0.9
206.08942	0.7
218.82568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0296
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
53.67607	0.1
59.01385	0.2
108.02154	1.5
111.00865	0.1
136.01656	3.7
148.01706	0.2
149.99577	0.3
163.00368	0.8
164.01147	14.0
165.01520	0.3
171.64832	0.1
178.99850	4.1
192.00635	100.0
193.00961	2.7
199.70850	0.1
207.02968	8.0
208.03252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0454
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01391	0.5
67.49358	0.3
69.85337	1.1
71.01360	0.3
72.99315	0.5
85.02974	0.7
91.01891	0.4
120.02165	11.2
121.02951	100.0
122.03287	1.4
130.21246	0.3
130.47736	0.3
136.01639	0.7
137.02483	0.4
147.02928	0.3
147.04454	0.6
151.02629	0.3
191.03497	1.8
209.04497	14.6
209.11795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03455	1.8
59.01377	100.0
69.78123	1.4
73.79951	0.5
75.04572	0.4
75.31837	0.4
81.03459	1.1
97.06571	2.7
98.21952	0.6
109.06600	3.6
121.02950	7.3
139.37579	0.5
160.90565	0.4
165.12845	3.9
209.04321	1.0
209.11821	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	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01363	0.9
65.54057	0.6
69.16162	0.7
69.23286	4.0
71.78922	0.8
78.01193	0.6
92.05083	0.7
96.81886	0.6
103.04262	1.9
104.05058	34.7
105.05390	0.8
120.04543	5.5
122.06154	1.1
148.04039	57.2
149.04372	1.2
150.98288	0.7
156.93860	0.8
166.05090	100.0
166.90977	1.1
167.05441	1.7
210.04091	12.1
210.07658	0.6
211.13329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0247
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
51.02377	0.4
51.66674	0.3
67.01886	0.6
69.15965	2.5
79.01907	0.9
85.02951	1.4
87.57634	0.4
95.01385	20.6
107.01388	23.7
111.49160	0.4
123.00891	12.0
123.08185	0.7
124.01634	1.5
139.00313	0.6
141.01929	0.7
151.00366	100.0
151.07620	1.0
152.01083	2.7
167.10806	0.4
169.01405	4.4
178.99850	15.7
192.97707	0.4
211.02469	44.2
211.13470	0.8
212.02773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48058	0.4
61.98833	0.8
69.03434	1.4
71.01378	0.5
82.32684	0.4
83.05025	0.5
85.00420	0.7
95.01379	0.5
98.22692	0.8
98.70212	0.4
99.86135	0.5
123.00916	0.6
141.86797	0.4
155.10750	0.5
156.93874	0.5
165.12827	0.9
165.44626	0.4
166.99802	0.5
167.10806	0.7
167.14400	1.9
183.13881	11.9
192.97778	0.5
193.12314	3.5
210.91316	0.8
211.13383	100.0
212.13721	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
69.03448	1.0
98.22707	0.9
111.08110	0.4
113.51973	0.4
164.38461	0.4
165.12801	0.7
167.10753	0.8
167.14442	0.8
183.13895	12.5
193.12308	3.4
211.13387	100.0
212.13699	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	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03435	0.9
59.01357	0.6
69.10048	1.3
69.10455	1.4
69.29980	0.6
72.37486	0.5
83.05037	0.8
87.04499	0.5
89.75552	0.4
94.04233	1.5
95.05041	0.5
107.08669	0.5
107.51337	0.6
109.06615	0.8
109.92434	0.5
118.53493	0.5
119.08689	0.8
120.05802	1.1
121.06604	0.7
123.05650	0.5
133.74063	0.5
135.08160	19.2
137.09718	100.0
138.10049	1.8
162.14355	0.4
169.12308	0.9
177.54140	0.5
181.08723	0.9
194.99352	0.5
213.01689	0.5
213.11342	6.0
213.14946	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	216.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63931	3.3
55.95211	3.5
57.03433	7.3
59.01380	100.0
59.30445	3.2
67.01888	4.6
69.79218	8.2
71.01382	38.7
72.99314	27.2
73.02939	5.1
83.01385	11.5
85.02943	7.4
87.00916	5.4
98.21941	6.6
99.00891	37.8
111.00898	21.2
112.98814	4.5
115.00447	3.6
118.96532	3.9
129.01959	16.3
132.98172	5.9
135.03000	3.5
137.02454	4.3
173.00905	8.6
173.99583	22.3
174.99240	24.5
198.12512	4.0
205.71843	3.6
216.01315	38.1
217.00179	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22620	0.3
59.01379	100.0
60.01705	0.4
69.64308	0.9
90.97146	0.6
97.39146	0.3
97.45778	0.3
100.17265	0.3
132.98212	2.5
151.11612	0.3
174.99239	28.0
189.74565	0.3
217.00287	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1545
Annotation	Kobusone
Peak:m/z	Relative Intensity
54.15462	0.1
54.17102	0.1
54.72063	0.1
59.01377	1.5
61.98827	0.1
71.01373	0.1
71.05000	0.1
73.02929	0.1
82.99329	0.1
84.16096	0.1
89.02403	0.1
97.98923	0.1
98.22582	0.2
127.07645	0.3
148.05284	0.3
149.05934	0.3
151.07631	0.2
161.04547	0.1
162.83946	0.4
164.08412	1.9
165.09132	0.2
178.98637	0.1
205.12317	1.4
206.12665	0.9
207.13875	0.4
220.12473	0.1
220.14684	3.4
221.15434	100.0
221.84189	0.1
222.07672	0.1
222.15778	3.3
235.13402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.91859	0.9
59.01377	7.8
61.98814	2.7
67.68132	0.8
69.03459	5.6
69.43755	0.8
71.05019	2.2
72.37122	0.8
72.87529	0.9
83.05029	1.6
85.06583	1.2
94.84138	0.7
95.05024	0.9
96.35787	0.8
96.96002	1.9
98.22617	2.2
107.01325	0.8
111.08142	1.1
121.39674	0.9
132.64107	0.9
141.01682	1.2
149.09691	1.4
164.83606	1.4
166.06317	3.6
167.10774	7.4
176.83687	2.0
177.12869	1.8
179.10744	3.3
179.14400	9.1
195.13898	28.2
205.12326	18.4
223.02769	5.6
223.13383	100.0
224.13660	2.4
234.27107	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	224.0564
Annotation	2-Amino-2-deoxyisochorismate
Peak:m/z	Relative Intensity
59.01375	17.0
65.19591	0.8
66.54050	0.8
69.68388	2.6
69.68736	1.2
77.96855	0.8
80.05045	10.4
82.33836	0.8
86.14843	0.7
95.70824	0.7
96.94891	0.9
98.21915	1.5
103.04283	9.6
106.06634	5.9
108.04550	19.1
108.08192	8.5
109.06645	1.2
118.06626	72.3
119.06950	1.0
120.04564	1.0
121.05344	6.1
134.06117	1.9
136.04034	2.2
136.07674	36.0
137.08008	1.1
137.75941	0.8
152.07166	40.2
154.92592	0.9
162.05608	1.7
179.94249	1.0
180.06647	100.0
180.90967	1.0
181.06990	2.3
184.40778	0.8
190.37743	0.8
224.05618	27.4
225.06053	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83110	1.3
52.90079	1.8
57.03181	2.1
57.03446	12.1
58.74077	1.7
59.01371	7.8
66.06087	1.5
67.01885	2.9
68.99818	2.7
69.77839	4.1
71.01380	29.5
72.99299	3.3
73.02942	6.0
83.01373	12.8
85.02955	14.6
87.00885	6.2
88.98824	1.8
99.00877	93.6
100.90161	1.9
101.02408	3.5
104.90658	1.5
111.00877	37.6
112.98806	100.0
113.13898	1.4
115.00381	3.5
128.65788	1.5
129.01932	22.7
133.72020	1.4
134.63539	1.5
142.99870	12.3
145.01401	4.2
173.00914	34.7
187.44846	1.7
191.01938	6.3
206.43668	1.5
208.98535	2.2
226.99677	11.9
227.20210	2.9
249.31415	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83110	1.3
52.90079	1.8
57.03181	2.1
57.03446	12.1
58.74077	1.7
59.01371	7.8
66.06087	1.5
67.01885	2.9
68.99818	2.7
69.77839	4.1
71.01380	29.5
72.99299	3.3
73.02942	6.0
83.01373	12.8
85.02955	14.6
87.00885	6.2
88.98824	1.8
99.00877	93.6
100.90161	1.9
101.02408	3.5
104.90658	1.5
111.00877	37.6
112.98806	100.0
113.13898	1.4
115.00381	3.5
128.65788	1.5
129.01932	22.7
133.72020	1.4
134.63539	1.5
142.99870	12.3
145.01401	4.2
173.00914	34.7
187.44846	1.7
191.01938	6.3
206.43668	1.5
208.98535	2.2
226.99677	11.9
227.20210	2.9
249.31415	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.23522	0.3
55.01866	0.5
57.03429	0.3
59.01362	0.8
61.38850	0.3
67.01866	0.4
68.76878	0.3
69.12601	2.3
71.01357	0.4
71.05013	0.8
74.62990	0.3
80.02676	2.1
81.03458	1.4
83.01360	0.5
83.05021	6.5
84.02168	3.5
95.05026	0.9
98.21841	0.5
99.00877	0.6
101.02456	0.9
109.06602	0.3
111.00871	0.6
112.98804	0.6
125.06081	0.8
125.09719	0.4
127.04039	0.6
135.08183	0.8
139.11285	0.6
153.12782	0.4
163.11296	6.1
164.14780	0.4
165.12862	3.7
173.22911	0.3
177.26944	0.4
181.12355	1.2
183.00478	0.7
191.10736	1.7
199.13383	0.7
207.16148	0.3
208.93394	0.3
209.11824	100.0
210.12126	3.1
227.03169	1.5
227.12888	4.4
227.16458	0.6
227.20184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.82890	0.2
55.01866	0.3
57.03444	0.2
59.01381	0.3
59.18911	0.2
69.37817	1.1
71.01363	0.4
71.05019	0.5
80.02675	2.3
81.03459	2.4
83.01396	0.4
83.05026	7.5
84.02170	3.8
85.02952	0.3
95.05025	1.1
99.00865	0.3
99.04545	0.2
109.06577	0.4
125.06071	0.8
125.09725	0.4
127.03978	0.4
128.22725	0.2
135.08119	1.1
147.11783	0.4
153.12790	0.3
163.11287	5.6
165.12848	3.9
181.12302	1.1
191.10802	1.5
199.13353	0.4
209.11821	100.0
210.12166	3.0
227.07146	0.5
227.12886	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.55182	0.5
57.98528	0.5
59.41951	0.4
67.01867	0.9
68.99810	0.6
69.28104	2.3
91.11690	0.5
97.05550	0.5
99.00854	0.8
101.02431	1.4
101.39540	0.5
107.99503	0.4
111.08149	1.3
127.04002	1.4
139.11296	0.7
165.12845	19.7
166.13065	0.6
183.13890	100.0
184.14232	2.8
208.93358	1.4
209.11850	4.4
223.98940	0.5
227.12881	20.3
227.20171	0.8
233.41736	0.5
236.63432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11270	1.1
55.01861	2.1
56.53977	1.3
57.03448	10.8
58.13116	1.1
59.01379	100.0
67.01891	7.7
67.23203	1.2
70.84182	1.7
70.84560	1.7
71.01381	45.6
72.11308	1.5
72.99274	1.4
73.02951	9.9
75.00869	1.5
83.01390	8.3
85.02941	8.7
87.00876	1.4
93.03466	8.8
96.96005	25.2
99.00881	72.0
101.02415	1.6
111.00883	20.7
129.01945	30.2
135.03011	1.4
145.00900	6.1
173.00887	5.5
173.04579	16.9
188.99872	3.6
232.98831	5.7
233.10298	4.7
233.15437	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
59.96722	1.0
60.66430	0.2
60.97498	0.5
70.03185	0.6
74.09580	0.2
74.98637	0.4
74.99065	7.3
75.00908	0.2
91.02209	0.9
93.00130	2.7
118.96244	1.5
126.86960	0.2
134.99402	7.0
136.97340	2.0
141.07397	0.3
143.05322	0.7
149.00951	69.4
150.00928	1.7
150.98891	0.4
159.08467	2.0
161.06413	3.5
167.01997	0.4
215.05534	1.3
217.07204	91.9
218.07361	3.6
233.10335	100.0
233.15277	7.9
234.10504	4.5
235.08339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1497
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.46190	0.2
51.54449	0.2
51.76945	0.2
59.01356	0.5
70.92422	0.3
74.00327	0.3
76.25726	0.3
179.07025	0.3
204.15158	0.4
204.78410	0.3
207.13860	0.3
218.11801	1.6
219.12646	1.3
234.14975	100.0
235.13158	0.3
235.15321	4.2
235.79857	0.2
251.11595	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	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18257	0.2
55.01877	0.4
58.43830	0.2
61.98819	0.4
64.68071	0.2
71.36607	0.2
78.95917	1.0
83.01386	4.3
87.00867	0.7
93.03460	0.5
99.00880	1.3
107.03775	1.1
108.04555	100.0
109.04890	2.0
118.02990	3.2
127.00368	1.9
134.02573	0.2
141.69780	0.2
146.06152	1.5
148.07689	0.6
164.07135	1.0
174.05605	6.6
181.29224	0.2
190.05103	5.6
192.06650	11.9
211.83517	0.2
218.04584	6.8
236.05637	13.2
237.05969	0.3
247.02008	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34385	0.1
51.35015	0.1
59.01385	0.2
70.46197	0.3
127.96617	0.1
134.03751	0.5
135.04544	0.3
136.05292	0.4
148.05298	6.9
149.05943	0.4
149.09705	0.9
162.06848	0.3
164.08400	0.2
173.09747	0.1
174.33479	0.1
174.90041	0.2
175.07631	0.3
176.08440	0.5
177.09201	37.8
178.09549	1.5
180.07964	0.1
190.09987	1.5
191.10736	1.0
192.11554	29.3
193.11931	1.3
201.09215	0.4
203.07138	0.3
207.15750	0.1
217.08690	2.7
218.09460	7.9
219.09819	0.3
221.08128	0.2
236.10526	100.0
237.10892	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	239.0923
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01379	100.0
69.34615	2.1
81.03461	1.6
83.05030	0.7
85.02945	1.3
87.00871	0.8
95.05016	1.9
97.06594	2.6
99.00926	0.7
100.14069	0.5
109.06573	3.5
110.78881	0.6
121.06593	0.6
122.00091	0.5
133.06677	0.7
135.08145	3.2
141.05585	7.8
149.09686	0.5
151.11299	2.6
161.04550	1.0
177.09242	3.2
179.05618	5.6
179.07227	1.3
195.10263	33.5
196.10680	0.7
221.08203	1.3
223.02843	1.7
239.05560	1.3
239.09236	25.4
240.09518	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01363	1.0
69.38729	0.3
70.95006	0.4
94.04227	0.4
95.05019	0.9
101.06078	6.6
109.06587	4.7
110.03852	0.3
111.08167	4.8
116.30402	0.3
122.03738	0.4
125.09734	0.9
129.63916	0.2
135.11813	0.7
138.06860	2.8
139.04004	12.7
151.07693	0.3
151.11319	0.5
154.06360	32.5
155.06717	0.9
165.19331	0.3
167.14417	9.6
168.14731	0.5
179.05582	0.5
179.10742	4.9
180.11462	0.7
182.05838	4.0
195.13889	100.0
196.14203	2.8
223.02762	1.0
239.06520	0.4
239.12880	8.9
241.56378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
56.74479	1.2
57.03442	3.1
59.01377	66.3
63.47735	1.3
64.87064	1.2
67.01882	1.2
69.03448	2.8
69.38799	5.9
71.01363	2.3
72.99297	9.6
83.05062	1.9
91.50365	1.2
96.08215	1.8
98.21835	1.8
102.56914	1.1
107.08662	4.7
109.10214	2.6
111.00875	2.2
113.08279	1.1
121.10143	1.4
124.11321	36.5
137.09734	1.2
139.11267	8.4
141.85503	1.2
147.27826	1.1
155.10796	3.2
156.13927	5.1
165.09183	1.4
168.10281	4.3
168.13957	4.3
169.43250	1.2
181.12379	3.0
183.10262	76.4
184.10654	1.2
199.04097	2.7
199.13385	3.2
200.12917	73.2
201.11314	100.0
202.11653	4.2
218.95827	1.2
225.11287	2.4
243.03053	12.4
243.12338	19.3
244.15518	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74479	1.2
57.03442	3.1
59.01377	66.3
63.47735	1.3
64.87064	1.2
67.01882	1.2
69.03448	2.8
69.38799	5.9
71.01363	2.3
72.99297	9.6
83.05062	1.9
91.50365	1.2
96.08215	1.8
98.21835	1.8
102.56914	1.1
107.08662	4.7
109.10214	2.6
111.00875	2.2
113.08279	1.1
121.10143	1.4
124.11321	36.5
137.09734	1.2
139.11267	8.4
141.85503	1.2
147.27826	1.1
155.10796	3.2
156.13927	5.1
165.09183	1.4
168.10281	4.3
168.13957	4.3
169.43250	1.2
181.12379	3.0
183.10262	76.4
184.10654	1.2
199.04097	2.7
199.13385	3.2
200.12917	73.2
201.11314	100.0
202.11653	4.2
218.95827	1.2
225.11287	2.4
243.03053	12.4
243.12338	19.3
244.15518	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.42526	0.7
57.03428	2.3
59.01376	53.8
69.59219	2.3
73.02948	3.7
85.94176	0.9
90.99606	0.7
139.11279	36.0
140.11581	1.0
163.11246	1.1
165.09230	1.8
181.12329	22.7
183.10252	47.9
184.10664	1.1
199.13411	13.2
207.10228	1.0
225.11313	16.6
226.11652	0.9
242.72957	0.8
243.12349	100.0
244.12688	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	244.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83234	0.6
57.11295	0.8
59.01376	2.2
69.24222	4.5
72.88966	0.8
96.08186	2.8
124.11317	45.7
124.96666	0.8
125.11611	1.2
150.12837	1.6
156.13950	8.7
168.10286	5.3
168.13922	7.5
176.04015	1.1
183.10413	1.0
184.10622	2.2
200.12906	100.0
201.11304	2.3
201.13243	3.0
202.11703	3.5
206.73962	0.8
209.11751	1.0
226.14616	1.6
236.42159	0.7
244.15506	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98834	0.1
71.01392	0.1
89.03948	0.1
91.05542	0.1
93.03468	0.2
95.01376	0.2
101.03957	0.1
103.05529	0.1
105.03471	0.4
106.04234	0.1
107.05029	0.3
117.03463	0.2
119.05024	1.7
121.02949	0.3
124.01668	0.1
129.03450	0.2
130.04221	0.1
131.05013	0.4
132.02301	0.1
133.02995	0.4
135.04521	1.0
145.02945	3.0
145.04100	0.2
146.03738	0.2
147.04515	3.4
148.01672	0.1
148.04785	0.1
149.02431	0.3
158.03708	0.2
159.04483	0.4
161.02388	0.4
163.00333	0.2
163.04007	2.3
169.01321	0.1
173.02437	3.7
174.03174	0.6
175.02469	0.1
175.04004	2.5
176.01129	0.4
176.04305	0.1
177.01991	0.4
186.95642	0.1
189.01898	0.2
190.02716	3.1
191.03493	12.6
192.00691	0.3
192.03900	0.4
201.01924	0.8
202.02652	0.2
203.03487	1.0
204.00716	0.1
205.01332	0.4
217.01430	0.2
218.02251	0.6
219.02975	5.1
220.03349	0.2
229.01378	0.4
230.01968	0.2
246.01668	0.7
247.02469	100.0
248.02808	4.0
254.89912	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
52.93608	0.1
53.92670	0.1
59.01372	0.5
61.98837	0.1
62.46095	0.1
71.13699	0.2
89.02461	0.2
103.01460	0.2
132.98129	0.2
147.00868	0.2
155.22122	0.1
162.83897	0.8
165.01878	0.2
186.95667	0.2
202.99815	0.4
205.16066	0.3
220.17015	1.6
231.13925	0.6
246.98776	0.5
247.17021	100.0
248.17371	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	251.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98826	1.5
67.52306	0.7
87.04511	100.0
88.04897	0.7
100.35546	0.7
121.06566	1.3
126.90475	0.8
135.00888	0.7
135.08144	5.5
163.07652	5.0
202.64507	0.8
223.02850	4.9
235.02879	0.9
251.14835	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	252.073
Annotation	Neopterin
Peak:m/z	Relative Intensity
50.15656	0.5
51.58266	0.4
59.01379	1.7
63.14157	0.4
74.34267	0.6
79.95734	100.0
80.96515	0.5
101.92406	0.4
117.25838	0.5
120.22828	0.5
121.02989	0.5
142.47385	0.5
153.91805	0.4
158.12758	0.6
160.11710	0.7
188.11134	9.4
204.85008	0.6
252.07309	43.5
253.07465	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	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
59.01379	100.0
60.01719	0.9
60.99293	0.5
83.50699	0.3
85.08475	0.3
87.04530	0.8
95.05024	0.8
98.21786	0.5
106.78671	0.3
107.05010	0.4
118.83830	0.3
163.11290	0.7
181.12306	1.0
183.10258	1.2
188.41661	0.3
195.13989	0.4
207.10155	0.4
221.84242	0.6
225.11328	1.7
226.61853	0.3
239.12862	0.3
257.13934	34.0
258.14221	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	259.1184
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
51.80722	0.5
52.74195	0.6
57.03443	1.7
58.00596	1.0
59.01376	20.1
60.30297	0.6
61.22920	0.6
69.03435	1.1
69.42022	3.2
71.01379	6.5
71.05006	4.8
73.02943	15.9
73.88941	0.6
77.98518	0.7
83.05034	3.8
85.02899	0.7
87.04506	1.0
97.02962	1.5
97.06599	10.1
99.04505	5.1
99.08150	0.9
100.05276	0.8
101.06091	6.7
109.06587	1.1
111.08151	0.9
113.06098	5.4
115.04011	11.6
115.07639	1.7
123.08159	2.0
125.06052	3.4
127.07667	0.8
129.99710	0.6
135.11809	0.8
137.09711	1.3
139.07648	0.8
141.05547	2.4
141.09227	0.9
143.07159	1.3
145.05063	5.1
151.11263	0.8
154.41656	0.6
155.10789	1.8
161.09740	0.6
167.07103	1.8
169.12260	0.7
179.10791	5.3
181.08649	1.1
185.08208	12.9
197.11815	7.0
199.09714	2.1
215.12862	7.6
223.09827	1.4
241.10835	9.4
242.11249	0.7
242.31050	0.7
259.11853	100.0
259.99567	3.4
260.12061	3.7
274.68542	0.7
284.84583	0.7
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
54.60855	0.8
59.01377	20.6
60.37756	0.8
68.20008	0.7
69.25793	0.8
71.45177	0.7
83.05001	0.9
89.30927	0.8
112.53095	0.7
137.09737	9.7
143.00102	0.8
155.10773	100.0
156.11086	2.6
161.29120	0.7
168.91600	0.7
171.10257	22.2
181.08652	1.8
188.49078	0.9
199.09744	41.8
200.10100	1.8
217.10793	97.3
218.11118	2.7
259.11813	23.1
260.12149	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	261.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
69.11611	2.9
71.04637	0.5
71.77244	0.6
81.03461	0.6
92.36842	0.6
105.47607	0.6
109.02914	0.7
113.03965	1.0
117.03481	0.9
125.02448	19.6
130.04245	1.3
132.02148	6.3
133.02924	1.8
145.02948	6.0
146.03732	14.5
148.01646	1.7
149.02487	0.8
150.03217	0.7
151.00340	0.8
157.02959	0.6
161.02438	5.2
161.06102	3.0
163.04047	1.0
173.02434	9.7
174.03212	100.0
175.03554	3.1
177.02000	1.3
185.02470	1.1
189.01967	1.2
189.05565	31.9
190.05908	0.7
201.01926	14.0
202.02705	70.8
203.03026	2.9
217.05040	29.0
218.05391	1.0
220.03737	3.1
233.00865	1.2
235.06133	8.7
246.01689	8.1
261.00400	4.7
261.04010	14.9
262.04404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0404
Annotation	Ancistroquinone F
Peak:m/z	Relative Intensity
59.01380	0.3
63.29258	0.1
72.25358	0.1
77.77572	0.1
92.49870	0.1
101.55695	0.1
106.04244	2.2
121.02971	0.2
133.02989	0.6
134.03751	0.4
143.07076	0.1
145.02884	0.5
146.03734	0.5
147.04512	0.1
161.02441	0.9
162.03198	0.4
173.02455	1.0
174.03127	0.1
175.00397	0.2
176.01099	0.3
189.01927	3.0
189.05508	0.2
190.02713	19.3
191.03076	0.7
202.02733	0.1
217.01408	19.8
218.02184	18.8
219.02551	0.8
227.51817	0.1
246.01682	100.0
247.02007	3.8
251.26804	0.1
261.04031	30.8
262.01703	0.1
262.04370	1.3
262.07047	0.2
278.00635	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	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95730	2.4
95.95235	0.6
96.96008	100.0
141.97533	0.3
150.14644	0.3
172.87517	0.3
235.86060	0.2
265.14767	80.8
266.15015	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	269.1756
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03433	4.0
64.20224	1.1
65.75140	1.0
71.01398	1.0
71.05014	4.0
71.46071	1.2
72.02165	2.0
73.02953	1.6
85.02948	2.2
85.06552	1.3
87.04512	100.0
98.95615	2.4
99.04538	6.0
101.06010	1.1
121.60910	1.0
137.09711	1.9
186.95587	1.3
189.16513	1.9
192.63213	1.4
207.17578	6.9
209.15422	1.5
225.18549	1.3
247.36339	1.1
269.17572	61.6
269.20975	3.8
269.24847	2.8
270.17944	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31194	0.1
55.01863	0.4
57.03445	0.3
57.35398	0.1
57.43150	0.1
59.01376	1.1
67.38915	0.1
69.03444	0.1
69.68133	0.3
69.68520	0.2
71.01379	7.1
73.02943	2.7
75.00887	0.2
78.16365	0.1
81.03488	0.2
83.01373	0.8
83.68092	0.1
85.02948	3.3
87.00887	0.2
89.02449	0.8
93.03477	0.2
95.01378	0.7
97.02949	0.3
99.00871	1.0
101.02437	4.7
107.05014	0.4
108.02170	100.0
109.02975	15.9
110.03309	0.4
110.57858	0.1
113.02438	4.3
121.02922	1.1
122.03784	0.2
123.00873	0.2
123.04512	2.5
123.05358	0.2
124.01732	0.1
125.02441	0.2
133.02937	1.1
134.03737	0.2
135.04507	0.6
143.03462	0.4
145.02968	0.1
151.03992	4.7
152.04283	0.1
159.03001	1.1
161.04556	6.1
162.04877	0.2
163.03992	2.0
193.05142	0.1
211.88004	0.1
271.08243	1.3
280.37375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0821
Annotation	Arbutin
Peak:m/z	Relative Intensity
55.01873	0.4
58.35583	0.2
59.01384	1.4
69.84295	0.5
69.84626	0.4
71.01384	6.8
73.02946	2.6
83.01391	0.7
85.02946	2.8
87.00839	0.3
89.02444	0.8
95.01361	0.7
97.14562	0.2
98.22546	0.4
99.00854	1.0
99.05276	0.2
101.02438	4.2
102.85255	0.2
107.05046	0.4
108.02171	100.0
109.02974	14.6
110.03259	0.3
113.02451	3.6
121.02957	1.0
122.03746	0.3
123.04534	2.0
133.02957	1.3
135.04510	0.4
135.54449	0.2
143.03511	0.5
151.04002	4.4
159.02989	0.9
161.04552	5.4
163.04004	1.5
225.99324	0.2
271.08188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.02256	0.4
59.01351	1.3
69.29441	1.9
69.53360	0.5
71.01379	1.1
80.03876	0.4
99.00882	0.8
101.02431	0.5
108.01445	0.9
108.02168	12.4
109.02959	1.5
117.90480	0.5
125.56747	0.5
135.93393	0.5
159.63747	0.5
161.04562	0.6
197.19098	0.8
221.18974	1.1
223.20743	4.1
225.22226	60.1
226.22574	3.9
253.21667	1.2
271.22769	100.0
272.23163	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	273.0769
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
56.07133	0.6
57.03434	1.3
59.01379	0.9
65.03967	1.1
69.03446	3.1
71.01376	1.4
80.02695	1.2
81.03449	4.6
81.90009	0.7
83.01396	3.7
83.47247	0.7
87.00862	2.1
93.03457	13.9
95.01383	1.3
95.05023	9.6
96.02179	0.7
97.02948	50.0
98.03754	1.8
98.09383	0.7
106.04216	0.7
107.05032	5.4
108.02217	0.7
109.02938	2.3
111.04532	0.9
115.00374	2.9
117.03420	0.7
119.05000	3.3
121.02953	1.0
122.03730	1.6
123.04516	9.8
125.02438	2.6
128.07170	0.6
129.37640	0.6
133.02957	8.1
134.03749	4.4
135.04530	8.2
137.02438	16.5
138.03261	4.6
139.04005	8.3
143.05051	1.1
144.04536	1.3
145.06601	1.3
147.04529	2.7
149.02388	0.8
151.04001	1.3
153.64699	0.6
158.08868	0.6
159.08205	1.1
161.06067	2.8
164.01176	1.8
165.01854	0.6
166.02731	4.8
167.03514	1.9
171.04480	2.0
172.05238	0.7
173.02441	1.1
175.02489	4.3
179.03476	2.0
185.06094	2.2
186.06808	2.5
187.07640	13.3
189.02086	1.4
189.05562	14.9
190.02713	1.0
201.01898	0.7
205.08673	13.2
211.07663	1.9
214.06416	1.2
217.01395	1.0
227.07169	1.0
229.01320	0.7
229.08707	13.2
231.06549	4.0
245.00862	2.6
255.06616	7.6
273.00534	4.6
273.07669	100.0
274.01123	3.3
274.07986	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	273.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
57.12193	0.5
59.01071	0.9
59.01375	15.3
67.01869	0.6
69.21370	2.6
71.01379	22.9
72.99315	3.5
73.02943	2.7
81.03452	2.5
83.01386	8.4
85.02956	4.3
85.03436	0.8
87.00873	31.1
89.02445	1.9
99.00868	2.3
101.02449	0.6
107.04990	0.7
108.02172	7.7
109.03030	0.7
109.06635	1.0
111.00901	2.9
111.08147	2.0
113.02437	2.6
113.06077	1.2
115.00371	71.5
116.00704	1.3
117.01929	4.6
121.06597	1.1
122.03740	0.8
123.08157	5.2
125.09719	1.5
127.00361	1.3
127.07633	1.8
135.08121	0.8
137.06059	1.0
137.09703	0.9
139.00383	5.2
139.07646	2.6
141.09166	1.2
151.07646	15.5
153.09180	1.7
153.10341	0.6
155.07120	3.3
157.01401	5.4
163.07617	0.9
165.05551	1.0
165.09210	6.4
167.07077	1.1
169.08664	3.2
173.08203	1.6
175.02473	100.0
176.02792	2.4
181.08688	2.1
185.08185	1.1
191.05629	1.3
193.05048	0.8
193.08659	6.1
211.09738	8.0
213.07661	5.8
215.09058	0.8
217.01317	0.7
229.04988	0.6
237.07619	1.3
242.09155	0.6
245.00949	0.8
272.58493	0.7
273.00317	2.0
273.04114	0.5
273.09641	1.7
273.12823	1.3
273.16763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02332	1.7
59.01387	2.8
59.96022	1.7
88.78803	1.6
110.02469	4.8
110.06162	2.0
121.05320	2.2
134.06137	3.2
136.04063	9.1
136.07660	23.8
138.05598	6.1
149.04784	4.3
157.55585	1.7
162.05624	7.3
182.06104	2.9
191.05502	2.9
197.08478	5.8
201.07932	5.7
211.05132	7.7
212.05833	3.6
212.10823	20.1
215.09520	6.1
225.06682	28.7
226.07497	22.6
227.08163	5.0
230.11848	21.0
239.08282	3.5
240.08997	20.5
243.07848	5.2
254.10486	3.0
255.11369	100.0
256.11752	4.9
258.10080	7.0
273.00409	2.5
273.12433	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	276.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81096	38.0
70.95824	52.3
72.71667	45.6
81.24892	39.2
150.76120	38.4
160.98886	41.9
168.55029	48.3
189.42410	39.6
191.05591	100.0
194.92807	84.2
204.33449	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49644	0.3
68.62405	0.3
70.30104	0.6
79.95751	0.3
82.15421	0.3
92.05058	0.8
96.96007	7.2
119.93710	0.5
134.96080	1.6
134.97063	6.5
136.94011	100.0
137.94083	4.8
152.91753	1.6
161.27795	0.3
166.35091	0.3
176.98122	1.7
178.95071	6.1
194.92792	2.3
216.89674	82.0
217.89735	4.8
234.90738	22.8
234.97044	0.4
235.90810	1.4
276.84906	0.3
276.88983	0.4
276.91653	1.9
276.98245	3.1
277.98395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01371	1.8
70.65536	0.5
89.00308	0.6
91.20920	0.3
91.63351	0.3
109.65516	0.3
134.89439	1.9
160.98807	0.7
204.97810	0.6
233.00906	0.4
233.22717	0.8
241.79376	1.1
259.20612	0.5
276.96606	0.3
277.21713	100.0
278.22031	6.2
290.60855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.4
69.87981	7.3
71.01372	13.5
85.13514	2.7
94.32848	2.4
109.01687	10.3
115.00349	33.6
119.05022	34.6
133.01427	100.0
144.52773	2.3
147.04500	4.5
163.04008	30.2
164.07162	12.4
173.09966	2.5
176.07161	3.4
177.01904	3.1
220.03635	4.4
235.05997	3.0
244.05988	11.3
247.02405	3.1
262.07031	3.8
279.05109	9.2
279.23328	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	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01881	1.0
56.19305	0.7
57.03430	1.0
59.01376	55.4
59.79675	0.8
61.30128	0.8
65.87594	0.7
71.01376	22.8
71.05006	6.2
72.91738	0.7
72.99306	0.9
73.02925	1.4
73.61180	0.7
78.95872	0.7
83.01366	2.1
85.02936	6.2
87.00860	1.4
89.02443	24.5
95.01377	1.6
99.00906	1.0
99.04512	10.9
101.02434	14.8
101.06086	0.8
105.01916	1.2
110.43121	0.8
112.88030	0.7
113.02444	10.0
117.05572	36.7
119.03494	9.3
131.03439	0.9
143.03484	1.5
161.04533	2.7
165.49312	0.8
179.05586	2.2
239.89249	0.7
253.72147	0.7
279.10837	100.0
279.23288	1.9
280.11121	4.8
304.20908	0.8
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
59.01359	0.4
61.09909	0.2
68.31112	0.2
91.01901	0.3
119.01372	0.3
134.89479	1.1
136.89162	0.5
163.00417	0.4
164.21097	0.2
234.98766	0.3
241.79320	0.3
243.79051	0.7
261.22150	0.3
279.23267	100.0
280.23624	6.8
280.25958	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	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32448	0.8
59.01377	99.8
61.98828	8.7
63.40355	0.7
69.69632	3.5
95.74684	0.8
99.98908	1.4
105.37300	0.8
112.40571	0.9
112.92329	3.0
117.00498	1.0
120.46854	0.8
125.26555	0.7
138.84549	0.9
139.94241	4.8
140.91820	3.1
140.94273	2.2
141.00481	1.1
141.99962	34.3
148.96745	0.8
154.93381	2.1
157.03558	5.0
159.01482	3.1
181.95277	2.3
184.00999	10.6
201.02545	100.0
202.02765	5.4
229.69116	0.8
248.34363	0.8
282.95374	2.2
283.26434	21.8
283.94958	1.3
284.01117	17.5
299.05594	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
55.30448	0.2
59.01373	0.4
61.98847	0.2
64.02386	0.2
70.66763	0.4
95.04991	0.2
96.46317	0.2
106.04256	0.5
107.05023	100.0
108.05347	2.7
117.63180	0.2
123.04496	0.4
130.40988	0.2
147.08170	0.2
163.11276	97.6
164.10370	0.4
164.11609	4.0
176.79961	0.2
204.49164	0.3
219.84549	0.3
250.14287	0.2
281.16171	0.2
283.17017	91.4
284.17380	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	284.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.0
60.01703	0.9
61.98816	1.7
70.02778	0.8
70.03142	0.8
98.00975	0.8
98.21947	0.7
99.98905	4.3
112.72498	0.4
134.89447	1.3
139.57059	0.4
139.94302	0.5
140.02048	1.3
141.87921	0.5
141.99960	100.0
142.87619	0.8
143.00093	5.0
181.95280	0.5
184.01009	32.8
185.01134	1.9
197.23532	0.4
199.99062	0.6
201.02626	0.5
202.02773	3.8
203.02356	1.3
206.91792	0.5
223.98988	0.4
242.00128	1.6
283.26401	5.7
284.01120	46.0
284.26758	1.6
285.01285	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02399	0.6
65.00008	0.3
65.00325	2.6
70.67384	0.2
70.67731	0.3
77.04042	0.1
81.03452	0.2
83.01389	1.6
85.21021	0.2
89.85038	0.2
97.23311	0.1
105.03467	0.6
107.01391	4.4
121.02950	0.9
122.92141	0.2
127.37100	0.1
132.02188	0.4
133.02953	24.4
134.03293	0.8
143.05019	0.4
147.04536	0.3
149.02444	3.4
151.00363	8.3
152.00743	0.2
153.07089	0.1
157.15353	0.1
169.06592	0.2
170.03755	0.2
171.04495	0.5
173.02441	0.3
173.06004	0.2
174.03204	0.1
175.04002	4.4
176.04390	0.2
177.01924	0.3
185.06009	0.4
197.06055	0.5
198.03191	0.8
199.03990	4.0
200.04315	0.2
201.01947	1.5
211.04071	0.2
212.04823	0.2
213.05540	0.6
215.03481	0.9
217.05067	2.3
218.05484	0.2
223.04066	0.4
226.02650	0.3
229.04990	0.3
239.03369	0.3
240.04253	0.4
241.05009	1.4
243.03015	1.0
257.04514	0.6
267.02902	0.5
285.04031	100.0
286.04361	6.3
286.07578	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	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.3
59.01378	100.0
60.01699	1.1
70.51449	1.5
71.01379	38.6
72.99277	1.2
73.02962	1.1
83.01382	1.4
85.02946	6.3
87.00871	2.3
89.02443	62.5
95.01394	2.4
100.22025	0.8
101.02437	14.7
113.02451	15.7
117.84104	0.8
119.03502	20.9
131.03462	2.9
143.03476	2.8
149.04550	1.7
161.04564	3.9
171.56084	0.9
179.05600	14.8
187.66914	0.9
225.16035	3.2
278.35294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.10474	0.4
57.17125	0.4
59.01358	0.5
61.98822	0.6
69.90151	0.7
70.02981	0.9
74.06106	1.9
88.08031	0.4
92.63313	0.3
118.05091	0.8
121.27309	0.4
130.73776	0.3
151.73817	0.3
209.99817	0.4
240.23305	3.4
242.21288	1.5
268.22940	0.6
286.04346	0.9
286.23877	100.0
286.98254	1.0
287.24252	7.1
304.29391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
52.45929	0.2
57.03456	0.3
59.01370	0.4
61.60563	0.2
63.02152	0.2
63.02398	2.4
64.02719	0.2
65.00322	12.0
67.94560	0.3
80.41431	0.2
81.03493	0.3
83.01383	5.9
88.16534	0.3
107.01390	16.7
107.05036	0.5
108.01707	0.4
109.02956	2.8
121.02954	0.3
123.00866	0.3
124.01675	0.4
125.02435	4.6
133.02942	0.5
134.03780	1.6
135.04523	100.0
136.04858	2.9
137.02493	0.2
139.15173	0.2
151.00368	88.4
152.00717	2.5
155.61247	0.2
159.04561	0.3
161.02454	0.9
165.01959	0.7
169.01407	1.9
177.01942	0.8
205.48413	0.2
269.04529	0.6
286.98563	0.5
287.05591	16.4
288.05923	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	287.0772
Annotation	Dianthoside
Peak:m/z	Relative Intensity
59.01384	0.3
60.63385	0.2
69.03454	2.7
69.92151	0.4
69.92490	0.3
71.01377	0.4
72.79817	0.2
79.01890	1.5
81.03460	1.0
83.01380	1.4
85.02944	0.8
95.01406	0.6
97.02959	2.6
101.02404	0.2
107.01382	1.7
123.00892	4.3
123.04479	0.4
124.01664	26.9
125.02444	100.0
126.02782	1.8
126.06533	0.2
126.98782	0.2
137.02444	0.5
137.69147	0.2
139.03984	0.3
140.45268	0.2
149.02437	0.8
151.03966	0.4
156.42079	0.2
167.03491	1.5
173.34172	0.2
173.71606	0.2
179.03523	0.4
287.07733	6.8
288.08017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
59.01369	0.3
69.03454	3.2
71.01382	0.6
71.12962	0.3
75.00852	0.3
79.01885	1.1
81.03457	1.2
83.01379	1.1
85.02946	0.7
93.15710	0.2
95.01376	0.5
97.02944	2.9
107.01402	1.6
108.23528	0.3
113.02355	0.3
123.00080	0.4
123.00891	4.0
123.04499	0.3
124.01662	27.7
125.02445	100.0
126.02769	2.6
135.03041	0.5
137.02440	0.3
149.02446	0.7
151.03995	0.5
151.48552	0.2
167.03468	1.3
169.60693	0.2
176.63399	0.2
177.57687	0.2
179.03522	0.4
287.04712	0.3
287.07721	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	287.0773
Annotation	Dianthoside
Peak:m/z	Relative Intensity
59.01370	0.8
68.38134	0.2
69.03444	0.9
71.01382	0.6
75.37988	0.2
80.47146	0.2
81.03454	0.8
83.01384	0.3
83.93755	0.2
85.02943	0.4
97.02972	1.3
101.02450	0.3
107.01377	0.4
113.02413	0.3
123.00886	0.4
124.01680	2.4
125.02444	100.0
126.02770	2.0
126.03451	0.2
135.02980	0.3
142.83627	0.2
154.99837	0.4
161.04436	0.4
169.01331	0.4
195.98111	0.2
212.78006	0.3
287.07724	13.2
288.07953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01361	1.0
71.06586	0.4
78.92612	0.3
81.03446	1.7
85.72514	0.3
89.39375	0.3
92.05082	0.7
93.03457	1.8
107.03761	0.7
108.02157	0.3
108.04557	4.9
109.02950	5.4
112.95996	0.3
124.01680	0.5
134.02475	39.1
135.03281	8.4
136.04039	39.2
137.02464	1.8
137.04369	0.9
148.03995	1.2
148.05057	0.3
149.04799	1.7
176.03525	4.6
176.07201	0.6
177.04218	0.8
178.51129	0.3
190.05083	0.8
192.13039	0.3
204.06651	0.7
260.16235	0.4
288.16031	100.0
289.16376	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
69.03439	0.3
71.01369	0.6
73.02935	0.6
78.95903	1.0
81.03451	0.4
82.18248	0.3
83.04995	0.5
85.02945	10.5
87.00879	2.5
90.13519	0.3
93.03452	4.0
99.04519	0.5
108.67728	0.3
109.02936	1.1
111.04529	1.3
127.04030	2.9
133.01427	0.3
146.59407	0.3
171.02962	0.7
173.04478	0.9
184.97632	0.3
191.05602	100.0
192.05957	3.3
193.85593	0.2
199.16142	0.3
202.98694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
57.03443	3.8
59.01358	0.8
69.03458	2.0
69.31052	1.7
69.31456	1.9
71.01381	2.2
75.00867	0.8
80.02699	1.3
81.03456	6.2
83.01378	5.4
83.05003	0.7
90.74021	0.7
93.03453	2.9
95.01402	1.1
95.05027	7.4
95.45211	0.7
97.02946	12.4
107.05027	0.8
108.02159	1.3
109.02948	52.5
110.03339	1.6
112.05010	0.7
121.02956	4.7
122.03731	3.1
123.03616	1.7
123.04520	33.0
125.02443	28.7
126.02795	1.0
134.75888	0.8
135.04538	4.4
137.02440	14.1
138.03200	2.1
139.04013	7.3
145.02972	2.6
146.03737	1.3
149.02426	6.7
150.03218	2.9
151.04005	13.9
157.06508	0.9
159.04564	4.7
160.05298	2.6
161.02428	1.5
161.06064	8.5
162.03224	3.3
163.03976	2.7
164.01169	4.8
165.01929	5.8
166.02676	1.0
167.03473	2.4
173.06076	2.7
174.03249	1.1
174.06677	0.8
175.04008	2.9
175.07600	2.7
177.05566	1.3
179.03500	9.7
180.03987	0.8
185.06091	1.5
187.03979	6.8
188.04817	5.4
191.05621	1.3
199.07683	1.5
201.05470	1.4
201.09158	0.7
202.06421	3.3
203.07138	19.9
204.07472	1.0
205.05040	11.7
221.08192	6.9
222.08395	0.8
227.07166	4.6
230.05797	1.2
231.02888	1.0
245.08177	32.0
246.08482	1.1
247.06229	1.4
271.06168	1.8
285.27554	0.7
289.07169	100.0
290.07596	5.7
293.40994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20229	0.3
51.98658	0.3
62.95488	0.3
69.78389	0.7
69.78757	0.6
94.10575	0.3
98.21885	0.4
105.03423	0.4
107.04958	0.5
117.03425	0.6
119.05026	1.9
125.12866	0.3
125.13913	0.3
133.02921	0.4
135.04489	1.2
145.02937	2.3
147.04535	3.6
149.02408	0.5
161.02432	0.9
163.03990	2.6
173.02400	3.7
174.03117	0.4
174.08595	0.3
175.03981	2.2
176.01115	0.5
177.01875	0.7
190.02730	2.9
191.03503	13.5
192.03821	0.5
201.02008	0.5
203.03467	1.3
213.05698	0.4
218.02180	0.8
219.02980	5.1
229.01402	0.7
246.01590	0.8
247.02457	100.0
248.02797	5.6
279.96872	0.3
291.01465	12.6
291.19492	0.5
292.01816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0146
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
56.09064	0.3
62.56357	0.3
81.24043	0.3
82.89964	0.3
94.16730	0.3
112.40070	0.3
115.34280	0.3
119.05012	1.5
123.79975	0.3
131.05000	0.5
135.04514	1.0
145.02950	2.3
147.04510	2.9
159.04416	0.3
161.02408	0.5
163.04015	2.1
173.02429	3.2
174.03188	0.7
175.03973	2.8
176.01184	0.4
190.02679	3.2
191.03488	12.2
192.00583	0.4
192.03871	0.5
201.01668	0.6
203.03461	1.1
205.01422	0.4
218.01962	0.4
219.02975	5.2
229.01321	0.4
246.01648	0.5
247.02460	100.0
248.02763	5.1
291.01474	13.9
292.01724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
59.96714	0.3
60.97496	0.5
66.86202	0.2
69.66467	0.6
74.99057	1.2
75.53697	0.2
85.00443	0.2
85.71407	0.2
93.00143	0.5
115.92045	0.2
121.02937	0.4
134.99429	0.2
147.50594	0.2
149.00961	2.2
161.06358	0.7
191.03534	0.2
192.98195	1.2
206.99667	0.6
209.01273	4.1
209.04391	0.2
210.01315	0.3
217.07219	1.7
225.00739	0.5
228.98100	0.2
247.02483	1.7
247.20911	0.2
256.44547	0.2
275.05933	0.3
289.07547	2.5
290.07483	0.3
291.09085	100.0
291.19611	2.0
292.09207	9.4
298.84531	0.2
309.10120	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.83472	0.2
59.01368	0.9
69.13531	1.5
94.34906	0.2
95.05029	0.6
119.04975	0.4
125.06125	0.4
127.07664	0.3
132.08192	0.3
141.09204	0.3
146.91823	0.2
148.08948	1.1
149.09634	0.4
150.10458	0.8
151.11278	0.3
163.11282	1.1
165.12837	20.1
166.13161	0.6
175.11285	0.6
176.12000	0.7
177.12846	0.6
179.14304	0.3
191.14430	0.8
205.19583	0.3
217.16003	0.6
229.19666	0.3
245.19089	0.3
247.02397	0.7
247.20648	11.8
248.20868	0.6
273.18594	5.3
274.18942	0.5
275.17459	0.2
291.19641	100.0
292.19992	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01384	2.8
62.61674	0.4
64.90768	0.4
68.10181	0.4
70.73849	0.7
78.79391	0.4
83.05027	0.8
95.05029	1.3
109.06589	0.9
110.72601	0.5
111.08163	13.0
113.09709	0.6
124.83701	0.5
134.51193	0.5
136.78218	0.4
137.09712	0.8
138.27878	0.4
167.10768	2.5
177.12865	2.5
179.10738	1.4
194.55495	0.5
195.13904	9.0
195.15666	0.5
201.09883	0.4
203.76418	0.5
247.02472	0.6
247.20749	2.6
273.18604	1.4
291.19666	100.0
292.20029	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03968	0.5
54.37411	0.5
57.03435	1.6
59.01366	1.2
69.63780	0.4
70.48523	0.4
70.48849	0.7
93.07102	0.9
95.05039	0.5
97.06585	1.6
100.93407	0.5
103.73956	0.4
111.08163	0.6
121.10227	12.0
123.08167	1.1
125.09730	5.9
126.79996	0.5
141.12849	1.4
142.91968	0.4
149.09639	0.5
185.10185	0.6
185.11832	12.5
195.13931	0.5
197.11809	2.7
209.11823	1.0
211.13419	1.7
213.14883	0.5
223.13469	0.8
247.02469	1.4
247.20601	1.0
273.18582	1.3
289.17978	0.6
291.19656	100.0
292.19977	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	292.896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59469	0.3
54.96973	0.4
56.39970	0.4
56.40284	0.3
59.01376	2.0
69.53249	0.8
70.62603	0.4
77.49688	0.3
78.95890	1.6
85.96909	0.4
93.25832	0.3
96.96011	11.6
98.22581	0.4
109.71504	0.3
118.94206	4.0
120.03228	0.3
131.32846	0.3
134.91595	1.9
135.91397	1.6
136.94041	1.0
150.93910	0.5
152.91768	99.8
167.90472	8.0
170.92816	1.4
172.45088	0.3
192.90761	0.4
194.92810	100.0
195.93031	1.0
212.93874	7.6
232.87393	48.3
233.87268	0.4
250.88477	16.0
274.89429	0.8
276.31772	0.4
292.82147	3.5
292.90466	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03438	0.8
59.01379	42.6
71.01381	17.0
73.02950	1.6
74.18460	0.7
80.86826	0.6
83.01382	1.9
85.02936	4.2
85.06586	13.7
89.02439	20.0
95.01358	1.1
95.74551	0.6
97.62219	0.7
98.21889	1.9
101.02440	13.4
113.02440	7.4
113.06088	2.6
115.07663	2.0
117.51498	0.6
119.03491	7.6
127.07677	1.6
131.07138	59.5
132.07501	1.7
135.04492	0.7
143.03519	0.9
150.58209	0.8
173.08241	1.5
179.05592	1.3
249.02968	1.8
293.12421	100.0
294.12735	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	46.4
69.43222	4.0
71.01382	20.9
73.02937	1.8
82.08027	0.7
83.01397	2.1
85.02960	4.5
85.06591	14.2
87.00866	0.9
87.57468	0.7
89.02451	23.4
95.01389	1.7
99.75925	0.9
101.02448	13.7
113.02456	7.7
113.06070	3.6
115.07612	1.8
119.03497	7.0
120.83445	0.8
127.07624	2.0
131.07143	57.6
132.07469	2.0
135.04518	1.8
143.03503	1.6
173.08144	1.8
179.05632	0.9
192.90274	0.8
216.36964	0.9
247.02608	1.2
248.02742	1.0
249.02994	4.9
293.12433	100.0
294.12735	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18261	0.7
55.01865	1.4
57.02100	0.7
59.01377	48.0
70.79464	0.8
71.01376	18.0
72.99316	0.7
73.02933	1.3
83.01382	1.6
85.02951	4.3
85.06585	15.7
87.00878	1.4
89.02440	22.3
93.68961	0.6
95.01424	1.2
101.02444	13.7
113.02462	6.3
113.06110	4.4
115.07636	1.4
119.03503	6.8
127.07641	2.0
131.07144	60.3
132.07489	2.3
135.04541	1.3
173.08237	1.6
266.62717	0.7
278.66434	0.9
293.12421	100.0
294.12802	5.3
309.75635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Agglomerin C
Peak:m/z	Relative Intensity
61.98794	0.3
71.01379	7.3
71.35864	0.2
73.02916	0.2
75.64762	0.2
98.21883	0.5
133.94299	0.2
148.05249	0.8
164.08400	1.0
172.85730	0.2
177.09181	4.4
181.06754	0.2
190.09891	0.4
192.11546	6.7
193.12033	0.5
205.12337	7.0
206.12785	0.4
207.13753	0.3
207.17468	0.3
217.08772	0.5
218.09474	2.0
220.14671	45.9
221.15442	100.0
222.15799	6.3
223.90385	0.2
236.10524	66.8
237.10933	4.7
293.17581	10.7
294.17838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08788	0.2
55.56002	0.2
57.03203	0.4
57.03447	3.6
58.09698	0.2
59.01379	2.0
69.83321	0.5
69.83716	0.6
71.01369	0.5
72.82043	0.2
81.03464	0.3
83.05057	0.3
86.62786	0.2
90.71478	0.2
97.06586	0.9
109.06577	0.8
113.09730	14.8
114.10045	0.4
121.10266	0.7
123.08118	0.4
125.09722	1.4
126.10046	0.3
135.11807	0.3
139.11301	1.8
141.12889	0.5
149.09715	0.9
165.12866	0.3
167.10754	2.2
171.10321	0.7
177.12857	0.8
179.10818	1.2
185.11836	3.3
195.13905	2.5
195.17546	0.3
197.11813	0.7
205.12283	0.3
220.14667	1.7
221.15474	3.5
236.10533	2.1
237.72780	0.2
249.22285	1.6
275.20111	2.3
293.21210	100.0
294.18466	0.3
294.21536	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01374	1.8
61.98824	1.1
68.99796	0.7
69.82596	1.4
71.01387	0.8
79.01037	0.5
82.93761	0.5
97.06565	0.8
111.77931	0.4
123.08164	0.7
125.09716	5.0
136.08875	0.7
141.12857	1.5
149.09702	2.0
155.50058	0.5
177.09235	0.7
185.11826	10.2
192.11526	0.7
193.16013	1.1
195.14006	0.5
197.11821	2.2
205.12372	0.6
209.92967	0.5
210.19077	0.5
211.13364	0.6
220.14653	4.5
221.15451	8.2
222.15741	0.7
236.10533	6.4
237.10886	0.4
249.22314	0.7
275.20099	0.9
293.21213	100.0
294.21555	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82335	0.7
56.25789	0.8
57.03429	1.3
59.01369	1.5
61.98813	1.5
67.32580	0.7
68.99825	1.1
70.58436	1.5
96.96008	1.1
97.06583	0.8
123.08235	1.1
125.09712	4.2
141.12817	1.1
149.09721	1.2
185.11848	9.7
192.11481	1.6
193.15894	1.7
197.11816	3.0
202.16196	0.8
205.12340	1.2
220.14702	6.9
221.15466	11.9
236.10558	9.4
257.90085	0.8
293.21198	100.0
294.21451	6.0
295.19092	0.7
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	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.37679	1.2
51.28777	1.2
51.29478	1.1
52.85728	1.0
59.01377	2.6
70.48788	1.6
70.49103	1.8
121.10233	45.8
122.10498	1.7
127.11229	1.6
129.02322	1.2
162.61830	1.2
171.10268	74.3
172.10597	3.1
183.13943	1.2
185.11803	3.6
220.14662	1.9
231.21249	5.8
236.10687	1.9
275.20148	100.0
276.20493	7.2
293.17847	2.9
293.21213	55.4
294.21521	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.37642	0.5
51.42819	0.6
59.01372	0.8
70.95529	1.0
88.51683	0.6
141.15274	0.5
179.14404	1.7
195.13892	12.2
196.14673	3.5
205.12233	1.2
223.13367	11.8
224.14093	1.6
231.21068	0.7
256.13126	4.2
260.22635	0.7
265.21912	0.7
275.20142	9.7
293.21213	100.0
294.21573	7.6
310.34778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01726	1.1
61.78664	0.8
71.01379	2.2
77.21501	0.8
89.02421	0.9
95.13640	0.8
99.28420	0.9
101.02447	1.5
109.02919	1.0
113.02405	0.9
115.00378	0.8
119.05050	1.0
135.04587	1.5
149.06091	1.7
161.04689	1.2
161.06047	0.8
173.06160	1.7
191.07143	1.2
231.26759	0.7
235.11784	1.5
295.08124	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.80800	0.2
57.03431	0.9
59.01370	1.5
60.26136	0.2
69.23147	0.8
69.23553	0.5
83.05022	0.4
98.21906	0.4
99.08212	0.2
113.09730	2.6
139.11555	0.2
169.12355	0.2
177.12846	0.7
179.14413	1.3
181.12343	0.6
195.13899	18.0
196.14229	0.8
259.20822	0.3
277.21707	17.6
278.22061	1.4
295.22757	100.0
295.53238	0.2
296.23114	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.14223	1.1
59.01357	3.2
65.50031	0.9
71.01379	1.3
78.15112	1.0
87.49713	0.9
90.43031	0.9
99.08163	1.2
113.09695	1.7
125.09801	1.2
183.13943	2.5
195.13895	19.2
213.18452	1.0
277.21683	20.8
295.22766	100.0
296.23093	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	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
61.63061	0.7
69.48189	0.8
69.88728	1.5
69.89088	1.9
71.08194	0.8
74.99074	3.6
75.86452	0.7
89.04283	6.7
93.00124	1.5
99.92575	0.9
113.91576	1.0
121.06589	34.9
125.02500	0.9
135.98859	0.8
144.39386	1.0
149.00948	45.9
150.01038	1.7
163.11287	33.8
171.96840	0.8
174.90045	1.0
183.01183	2.5
187.16466	0.8
208.97562	1.9
215.95988	0.8
223.02782	5.8
225.00633	1.4
264.98434	21.7
265.98486	2.7
279.47678	0.9
281.01602	5.1
282.99490	2.0
297.04697	100.0
297.15268	8.0
297.18594	33.9
297.24142	12.2
298.04736	12.1
298.18921	1.7
299.02591	9.0
300.02737	1.3
301.58829	0.9
315.05899	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	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23527	0.8
59.01373	2.0
70.15162	1.7
74.99079	2.8
87.81596	0.7
89.04288	5.8
93.00150	2.2
96.99967	0.7
118.31435	0.8
139.92940	0.9
149.00951	38.2
150.00967	1.6
167.25162	0.8
174.89948	1.4
183.01201	2.9
206.99690	1.3
208.97580	0.8
215.96013	1.7
223.02824	4.7
225.00797	1.4
235.91704	1.0
264.98444	24.0
265.98450	1.7
281.01575	5.7
282.99484	3.2
296.22940	1.1
297.04703	100.0
297.15381	5.6
297.24356	11.0
298.04770	9.5
299.02582	10.9
301.00677	1.6
307.00494	0.7
315.05762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Picein
Peak:m/z	Relative Intensity
62.40198	0.2
74.03880	0.2
76.32020	0.2
88.19662	0.2
98.21886	0.6
107.05020	0.6
117.03471	0.2
134.03757	1.4
135.04523	100.0
136.04849	3.2
297.09830	2.0
298.09833	0.2
304.52322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1132
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
50.73746	0.8
59.01367	1.1
65.03956	1.3
70.45326	1.2
74.99064	1.2
78.60434	1.0
80.02674	3.3
91.01884	3.0
91.05527	4.7
93.03473	1.5
107.01384	11.5
108.02183	17.0
109.02956	13.9
119.05053	1.9
121.02973	2.5
123.00890	1.9
124.01634	0.9
133.06592	9.7
135.00888	2.8
135.04526	13.2
136.01660	44.0
136.05287	1.1
137.02022	0.9
148.01660	92.3
149.00943	13.0
149.01991	2.3
153.01947	1.2
163.04004	100.0
164.04788	28.7
165.05107	1.9
168.56274	0.9
179.03479	2.4
187.07695	1.8
196.03761	3.1
197.02673	0.8
199.67676	0.8
235.20683	0.9
264.98453	7.6
265.98270	0.8
281.01495	1.8
282.99612	1.0
297.04700	20.2
297.11322	50.2
297.15112	2.9
297.20740	2.1
297.24115	1.4
298.04633	1.4
298.11618	3.7
299.02637	3.8
302.96600	1.0
315.05695	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	297.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55840	0.7
54.76063	0.6
55.01863	1.7
57.03452	1.5
57.63225	0.6
58.00595	1.1
59.01379	100.0
59.60314	0.6
69.72150	1.2
69.72538	1.2
71.01380	50.5
72.01734	0.8
72.99303	0.8
73.02945	7.2
73.69028	0.6
80.81979	0.6
81.03449	0.7
83.01382	3.3
85.02949	17.1
87.00886	1.7
87.50957	0.6
89.02444	54.2
93.33142	0.6
95.01376	4.0
98.21889	0.8
99.00905	1.5
101.02444	32.6
103.04007	1.6
113.02448	20.1
117.05573	1.4
119.03501	25.2
131.03487	2.3
135.06639	25.4
136.07011	0.7
143.03481	5.1
149.04575	2.2
159.03024	0.9
161.04561	15.9
179.05620	16.9
180.06015	0.7
237.09769	2.3
297.11902	67.0
298.12213	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01880	1.5
57.03444	1.3
59.01377	100.0
65.30994	1.2
69.72952	2.6
69.73330	2.6
71.01379	48.5
72.99287	1.5
73.02966	6.2
77.96429	1.1
83.01396	3.6
84.19662	1.1
85.02953	13.2
87.00874	1.8
89.02444	56.2
95.01394	3.8
98.21917	1.9
100.24575	1.3
101.02446	32.1
103.04018	2.1
113.02444	20.2
117.05573	1.4
119.03502	24.9
125.02440	1.4
131.03537	2.9
135.06624	27.9
143.03510	4.8
149.04553	1.9
161.04556	18.3
179.05623	18.0
187.74382	1.1
237.09772	4.5
267.74515	1.3
297.11890	74.6
298.12134	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	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.38356	0.6
59.01370	1.8
90.24957	0.7
174.90082	0.9
183.01213	4.7
184.01973	0.8
185.11810	40.3
186.12140	2.1
215.96014	2.0
257.37183	0.8
279.23264	2.8
286.74860	0.8
297.15341	10.9
297.24323	100.0
298.15692	0.9
298.24673	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	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.40771	0.4
57.03451	0.4
57.99645	0.4
59.01372	1.0
84.79816	0.4
89.04300	0.5
107.28157	0.4
121.06549	0.8
139.11292	1.7
139.17154	0.4
149.00958	2.6
154.57239	0.4
155.14424	1.2
163.11282	0.6
183.01222	1.4
210.50024	0.4
215.95988	1.4
253.25290	1.9
261.70444	0.4
264.98581	1.9
275.67368	0.5
297.04752	6.9
297.15479	2.8
297.24332	100.0
298.04800	1.3
298.24658	8.0
299.02588	0.6
304.41312	0.4
314.61554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.41695	0.2
54.59006	0.2
59.01370	1.4
71.01371	0.3
74.47320	0.2
81.03461	0.3
93.03456	7.3
98.22654	0.5
108.02174	0.6
109.02943	0.6
120.06853	0.2
136.01671	2.0
137.02441	100.0
138.02773	2.8
138.05591	0.2
174.99242	0.4
179.03595	0.3
180.97723	0.2
217.00291	1.4
228.76347	0.2
270.98929	0.2
273.22012	0.2
299.07693	9.7
299.98792	0.2
300.07980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.09
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30727	2.4
59.01376	62.4
70.73372	3.3
71.01382	11.6
75.00899	2.8
80.01539	2.5
89.02457	3.8
93.03452	22.4
97.45749	2.8
101.02455	3.7
102.37845	2.6
108.02164	10.6
109.02914	3.1
113.02446	4.1
125.02477	5.1
137.02443	100.0
137.06049	15.7
138.02763	2.7
138.05547	2.8
148.19421	2.7
165.01917	3.5
169.01402	3.9
171.00900	3.2
174.99214	17.9
199.00410	2.4
200.40852	2.8
217.00290	63.4
270.98798	5.7
298.98373	7.7
299.04309	5.9
299.08099	3.1
299.99072	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	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77345	1.1
54.35254	0.9
55.75294	1.0
59.01380	24.5
70.62647	2.1
71.01367	2.5
73.02940	1.2
74.99106	2.4
85.02933	1.9
93.03457	63.1
94.03790	1.8
95.55516	1.0
101.02482	1.3
108.02185	6.5
113.02444	1.4
137.02443	100.0
137.96954	0.9
138.02744	2.9
174.99217	8.7
201.02531	4.5
217.00287	25.2
298.98257	2.6
299.04370	1.4
299.07513	1.3
299.99005	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	299.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
63.18008	0.2
65.03963	0.3
71.06014	0.3
71.10428	0.2
79.05538	0.5
79.79568	0.2
91.05531	0.7
93.07098	0.7
95.05029	0.6
103.05550	0.3
104.43893	0.2
105.03475	0.5
105.07102	0.3
108.02188	0.5
109.39419	0.2
111.77561	0.2
119.05032	2.7
121.02915	0.3
123.04520	1.2
126.60572	0.2
131.05008	0.6
132.05823	3.2
133.06595	100.0
134.06940	3.5
137.06085	4.4
146.03764	0.5
147.04521	26.1
148.04834	1.0
165.05562	13.4
166.05904	0.7
168.59091	0.2
174.99265	0.4
193.20526	0.2
217.00267	1.4
232.77606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.58068	0.3
59.01382	2.2
69.52944	1.5
83.83823	0.3
88.34770	0.3
108.02181	0.5
126.35468	0.3
137.02461	0.3
141.12886	1.9
141.92369	1.8
155.14465	0.6
174.99242	0.9
189.92445	0.3
217.00296	2.9
228.14755	0.3
253.25313	1.0
281.24799	2.0
297.24301	0.7
299.20218	7.2
299.25894	100.0
299.98996	1.2
300.20706	0.8
300.26257	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18393	0.2
53.23974	0.2
59.01376	2.0
68.01389	0.5
71.01378	0.7
75.00881	0.4
82.38155	0.2
89.02444	0.8
93.03459	0.9
94.03794	0.7
98.21783	0.5
101.02420	0.4
107.01389	1.0
119.03471	0.3
120.05354	0.3
122.02467	0.5
123.03266	9.4
124.01688	0.4
135.03024	1.6
137.02463	1.8
137.04820	0.9
138.02817	1.7
138.05606	100.0
139.04037	0.8
139.05939	2.6
145.02940	0.3
152.07152	0.7
160.10974	0.2
165.04326	0.6
166.08734	0.3
167.05931	0.6
171.20821	0.2
173.02422	0.4
174.50565	0.2
180.06631	1.9
183.02969	2.9
185.02449	0.3
190.81827	0.3
200.01093	0.3
201.01910	0.6
216.88664	0.2
228.00627	0.2
229.01215	0.3
257.00983	0.4
283.99619	0.4
299.99203	1.6
300.07520	0.4
300.10873	7.4
300.99860	11.1
301.05374	0.5
301.11115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00329	0.4
55.88479	0.2
59.01375	2.4
64.31670	0.2
68.01406	2.9
69.03426	0.2
71.01379	0.6
71.44572	0.2
73.02950	0.2
82.03790	0.2
89.02448	0.3
95.05001	0.5
96.04552	0.4
97.06654	0.2
98.02457	0.2
104.43557	0.2
110.06095	0.2
122.02469	0.6
122.06084	0.3
123.00878	0.2
123.03262	5.8
124.04056	0.3
124.07693	0.8
125.02520	0.2
132.02129	0.4
136.07678	0.7
137.04834	1.0
138.05606	100.0
139.05939	3.0
140.07137	0.2
144.02196	0.3
145.02913	0.2
150.05617	0.3
152.03522	0.4
152.07133	1.7
160.01575	0.4
166.08708	0.6
167.05846	1.9
168.06612	0.5
172.01651	0.9
177.01849	0.3
180.06654	5.3
183.94614	0.2
185.02408	0.4
188.01135	0.2
199.00417	0.2
200.01120	0.4
201.01949	0.2
210.07640	0.5
216.00552	0.9
222.07645	0.2
225.72362	0.2
228.00595	0.5
229.01369	0.6
240.08766	0.4
242.99280	0.2
244.00027	0.6
245.00920	0.3
257.00851	0.3
271.99457	0.7
272.99771	0.2
283.99484	0.5
285.00238	0.4
299.99109	7.0
300.10855	16.0
300.99878	9.7
301.03043	0.2
301.11276	0.8
322.89865	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
60.77595	0.1
68.01719	0.1
76.08682	0.1
76.49809	0.1
80.39696	0.1
81.79047	0.1
82.93922	0.1
90.10439	0.1
101.03949	0.2
101.22224	0.1
117.03467	0.7
119.05032	0.3
129.03456	1.0
133.02922	0.4
141.03468	0.1
144.02100	0.1
145.02937	2.7
147.04515	0.5
155.01398	0.1
157.02939	1.5
161.02437	0.5
163.03966	0.9
171.00919	0.3
172.01654	0.2
173.02420	3.2
174.02779	0.1
183.00882	0.2
184.01697	0.3
185.02429	4.4
185.04082	0.2
186.02766	0.2
189.01910	0.8
191.03473	0.2
199.00337	0.5
200.01070	0.7
201.01930	3.8
202.02242	0.3
212.01222	0.2
213.01929	0.4
216.00606	0.4
217.01360	1.1
226.99814	1.3
228.00577	0.7
229.01390	5.6
230.01714	0.4
240.00661	0.2
244.00113	0.6
245.00867	2.6
246.01233	0.2
254.99240	0.6
255.99910	0.2
257.00894	2.7
258.01236	0.2
271.99536	0.2
273.00375	0.5
282.98853	0.1
283.99609	5.5
285.00021	0.3
299.33948	0.1
299.99112	5.0
300.99875	100.0
302.00217	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Bracteatin
Peak:m/z	Relative Intensity
55.13050	0.3
63.02398	3.2
65.00321	7.3
69.30261	1.7
83.01381	5.3
93.03459	2.3
107.01387	12.2
109.02948	1.1
117.03437	0.4
121.02952	10.1
124.01633	0.4
125.02403	0.5
129.03455	0.8
136.07640	0.6
139.03995	0.8
145.02951	3.2
147.04543	0.8
149.02383	1.9
151.00363	34.1
152.00688	1.1
157.02916	1.7
159.04515	0.4
161.02457	0.7
163.00374	0.7
163.03992	1.6
164.01146	0.8
169.01466	1.7
173.02399	2.7
175.04041	0.6
178.99857	12.3
179.01460	0.6
180.00249	0.5
184.96928	0.3
185.02431	3.6
189.01891	0.6
193.01408	0.7
199.00275	0.4
200.01222	0.4
201.01930	3.8
201.05563	0.6
205.05003	0.6
211.03918	0.6
216.00555	0.6
217.01433	0.7
226.99902	1.1
227.03520	0.6
228.00522	0.5
229.01410	5.1
229.05067	1.0
244.00133	0.5
245.00888	2.5
245.04536	0.7
254.99431	0.7
255.02959	0.9
256.03714	0.5
257.00870	2.4
257.04440	0.9
257.12875	1.0
273.00415	0.4
273.03967	1.7
283.02213	0.5
283.99631	4.4
284.99814	0.5
299.01761	0.4
299.99109	4.7
300.99847	100.0
301.03476	55.2
302.00174	7.4
302.03809	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	301.0561
Annotation	fludiazepam
Peak:m/z	Relative Intensity
59.01378	9.9
66.70650	0.6
67.01875	0.7
69.60075	1.4
70.56557	0.6
71.01378	12.4
79.01907	0.6
82.00616	0.7
83.01395	0.6
85.02955	2.8
86.08096	0.6
89.02440	6.6
93.03452	2.6
95.01394	3.0
97.02966	0.9
98.21888	0.6
101.02433	1.6
107.01388	8.6
109.02974	1.2
111.00877	1.3
113.02457	2.8
121.02954	4.8
123.00886	50.2
124.01686	14.5
125.02446	50.5
126.02778	1.2
129.92789	0.6
135.03035	0.7
136.98824	0.8
137.02470	2.5
138.03229	26.3
139.00392	1.6
139.04016	54.9
140.01147	1.8
140.04391	2.0
141.01924	0.7
149.02432	1.1
151.00369	5.9
151.03989	1.2
157.03027	0.7
161.04591	1.8
165.01949	0.8
166.02704	1.0
166.99951	0.7
168.00642	4.8
168.51454	0.7
169.01430	100.0
170.01820	3.3
178.02800	0.8
181.05040	3.1
183.02989	1.9
192.58315	0.7
193.05066	1.4
197.04585	1.6
211.02530	2.9
223.02505	1.0
229.01482	1.1
241.03542	3.3
301.00150	18.0
301.05637	62.4
302.00360	1.1
302.06033	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.41373	0.2
60.97495	0.7
69.70449	0.7
71.70849	0.3
74.99068	0.7
96.24233	0.2
98.22530	0.4
108.31492	0.3
118.95454	0.2
118.96194	1.3
134.99391	6.1
135.99452	0.3
136.97327	1.9
138.57991	0.3
141.07379	0.7
143.05333	1.8
145.41135	0.2
150.98885	0.3
159.08492	1.3
161.06387	5.9
186.72066	0.3
201.04018	0.6
203.05637	2.8
205.03534	1.2
215.05624	1.0
217.07196	82.7
218.07333	5.6
235.08217	0.3
240.27737	0.2
245.00874	0.3
261.06293	0.4
283.11954	0.5
285.13467	37.8
286.13678	3.0
300.99918	3.6
301.16580	100.0
302.00381	0.3
302.16803	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02863	0.3
59.01377	15.6
60.01706	2.0
61.01802	0.3
61.98827	100.0
66.44132	0.2
71.43081	0.3
72.88008	0.2
90.82296	0.3
103.88966	0.3
115.02538	0.5
116.02587	0.6
117.00446	0.4
117.02283	1.0
117.95520	0.6
117.97345	0.3
118.00620	0.4
118.97601	0.3
119.00207	0.8
119.95232	1.4
134.97089	1.3
159.01527	1.7
159.03358	0.3
159.96585	1.7
160.01607	6.2
160.96706	0.4
161.01208	8.4
161.96289	6.0
161.98946	19.4
162.01523	1.8
162.96544	3.6
162.99113	1.2
176.98059	0.6
201.02702	0.3
202.02716	1.5
203.02318	1.8
204.00009	3.6
204.02753	0.6
226.31181	0.3
261.98959	0.4
262.01584	0.5
304.00137	13.7
304.02875	6.8
305.00290	1.4
305.03006	0.9
311.65619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
64.22715	0.6
66.03477	1.3
68.85480	0.5
71.44611	0.6
76.47842	0.5
83.05031	0.7
84.00703	0.6
85.02962	0.5
89.02431	1.1
93.03442	1.5
95.07914	0.5
96.96021	3.0
97.06583	0.7
101.02423	0.6
104.44611	0.6
105.03460	3.3
110.02480	48.6
111.02817	1.5
119.03552	0.9
120.33835	0.6
120.53170	0.5
121.02934	3.3
125.02441	0.9
131.01382	0.7
133.02956	1.1
133.06538	0.5
137.02467	1.6
143.07079	1.4
148.01591	1.1
149.02455	7.8
152.03543	1.4
161.06058	1.0
165.01930	1.7
167.03545	0.9
173.06131	0.9
175.00293	0.6
189.05536	4.6
191.03474	0.9
192.00653	1.0
193.01413	100.0
194.01813	5.2
217.05042	5.4
225.11313	0.9
242.04520	1.5
244.02458	2.5
260.05630	10.2
261.03839	0.9
286.88190	0.6
304.04614	41.0
305.04510	1.5
305.07172	1.8
305.12549	3.1
305.15698	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08076	0.4
58.02974	43.6
59.01385	0.7
59.03299	0.5
60.72524	0.3
69.70651	1.4
75.15219	0.3
98.21861	0.4
145.69617	0.3
161.09406	0.4
168.13930	100.0
169.14294	4.6
185.44014	0.3
195.13855	0.5
212.12924	2.1
285.77380	0.4
304.19327	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	305.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10966	0.3
52.17620	0.3
59.01358	1.3
66.24010	0.3
69.41997	1.4
71.01333	0.3
71.06224	0.3
71.94888	0.3
96.95961	1.0
98.22611	0.5
101.02355	0.3
104.03577	0.3
106.04250	2.3
113.51752	0.3
124.01649	0.3
125.02412	0.8
133.02940	0.4
138.05528	0.4
143.07150	0.5
146.03755	0.5
154.37000	0.3
161.02425	0.6
162.03178	0.5
169.01378	0.8
173.02406	0.8
177.10728	0.3
189.01903	2.5
190.02713	18.3
191.03055	0.7
211.02490	0.6
217.01413	18.8
218.02187	17.8
219.02585	0.8
225.11279	0.3
226.05341	0.3
241.03534	0.8
246.01677	100.0
247.01982	5.2
261.04019	39.5
261.06149	0.7
262.04376	2.1
305.03070	5.4
305.06833	0.8
305.16040	2.3
306.03366	0.5
306.06650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03030	0.9
71.03487	1.4
72.57305	1.1
76.20587	1.1
93.03458	1.5
108.02194	1.2
109.02943	4.2
117.24281	1.2
118.04255	7.5
119.75948	1.4
120.99656	3.7
122.03709	1.4
124.01523	1.6
124.50701	1.2
124.66460	1.6
125.02398	1.9
133.02956	2.0
138.05612	2.1
140.11414	1.2
145.02931	4.8
146.03745	23.4
150.03212	1.6
158.03735	2.3
161.02422	3.7
167.97063	1.4
169.01433	4.0
172.01657	4.4
173.02455	4.0
174.03224	50.6
174.64987	1.1
175.03554	1.9
189.01915	3.9
190.02693	12.4
191.11389	1.2
192.80356	1.3
200.01173	2.3
201.01874	7.0
202.02711	41.2
203.03085	2.8
206.29823	1.3
217.01453	2.8
217.05028	2.8
218.02202	8.3
245.01053	2.5
246.01669	61.0
247.02034	2.6
261.04028	41.1
262.04401	3.2
271.99677	5.2
273.00381	2.4
287.01962	3.5
287.04800	3.0
290.00687	38.4
291.00958	3.5
305.03012	100.0
305.10736	4.2
306.03400	6.1
307.57129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37284	1.6
73.22342	0.3
80.57001	0.3
90.50276	0.3
98.21803	0.4
99.79364	0.3
106.04240	1.9
133.02953	0.5
138.16367	0.3
145.02983	0.3
146.03671	0.5
161.02425	0.5
162.03159	0.4
173.02365	0.6
175.00426	0.4
184.69788	0.3
189.01944	3.0
190.02704	17.8
191.03088	0.7
217.01405	16.8
218.02174	18.3
219.02565	0.7
246.01671	100.0
247.02016	5.5
261.04016	41.3
262.04312	2.7
267.11115	0.3
277.81363	0.3
305.03049	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	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73479	0.4
59.01378	41.6
60.01732	0.5
69.29606	2.0
69.92339	0.4
71.01382	0.6
73.02944	0.5
75.00862	0.7
79.95748	1.7
81.93790	0.4
85.02940	0.9
96.96010	100.0
97.06560	0.6
128.03520	0.7
129.01971	0.8
133.02979	0.8
135.08221	1.3
138.05568	0.4
143.04652	1.0
143.07117	0.8
147.08138	1.6
165.09184	0.7
190.02733	0.7
217.01376	0.6
218.02162	0.8
225.11327	22.9
226.11685	1.1
246.01657	2.9
261.04028	1.7
297.27893	0.4
305.06998	80.4
305.16019	4.3
306.07327	5.6
309.09589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
58.76578	0.2
59.01374	0.6
65.99863	0.6
82.02978	3.8
87.70023	0.3
92.05076	0.5
94.02991	1.4
96.04549	5.7
97.02979	0.5
99.00906	0.2
109.02911	0.3
110.06153	0.3
112.98803	0.3
118.04239	0.3
120.04568	1.0
122.03732	4.0
122.06139	1.6
136.04103	1.4
138.05606	100.0
139.05981	2.8
145.02919	0.5
146.03700	1.6
149.04871	0.3
150.05609	0.5
161.02347	0.3
161.04846	0.5
162.98135	0.3
165.06731	0.3
171.74684	0.2
173.00941	0.3
173.04489	0.4
174.03200	3.2
174.05574	0.6
174.09241	0.2
188.07156	0.9
190.02736	1.5
190.08740	1.0
201.01984	0.3
202.02707	3.5
202.08742	0.6
205.01395	0.3
216.10236	0.7
217.01456	0.6
217.06325	0.4
218.02196	0.7
218.06963	2.6
218.11742	1.4
233.09279	5.4
244.09740	0.9
245.09326	0.6
245.99089	0.3
246.01677	6.0
247.01965	0.5
261.04044	3.7
261.12408	9.8
262.12833	0.8
271.08524	0.3
271.99609	0.6
287.01886	0.3
287.04834	0.3
287.10422	1.5
290.00723	2.2
304.99521	0.4
305.03073	6.8
305.11395	17.3
306.03195	0.6
306.11758	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98824	9.7
71.01380	50.7
72.99310	3.7
75.00862	3.5
75.53205	3.3
81.03430	6.3
83.01382	6.6
84.02168	5.5
86.76739	2.9
87.00864	14.8
89.02442	49.1
89.13459	3.1
97.06534	3.6
99.00886	10.5
108.02145	18.3
109.06625	5.0
111.08136	7.2
115.00378	53.8
115.01130	4.1
117.01943	59.6
122.03717	3.7
123.08163	17.9
125.06075	4.0
127.07654	11.7
133.18314	3.1
135.02960	3.2
139.00357	3.6
139.07629	12.0
151.07637	59.3
152.07932	4.5
155.07126	7.5
165.09193	13.7
169.08655	3.6
173.08167	39.0
175.02473	38.5
181.08723	5.3
183.10257	5.1
193.08740	14.7
210.51987	3.7
211.09737	32.3
213.07681	61.1
245.10040	3.6
270.29440	3.3
273.00247	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.4
59.96714	0.3
60.18914	0.2
69.40297	0.2
71.43735	0.2
74.99068	6.0
75.99041	0.2
91.02209	3.1
93.00132	2.6
119.01397	0.3
135.04485	0.8
137.62393	0.2
146.70715	0.2
147.00926	0.2
149.00935	2.8
150.00876	0.2
154.00639	0.3
159.08461	7.6
161.06403	2.3
179.03476	0.7
192.98126	0.7
206.99689	1.4
209.01268	2.7
209.04498	0.2
210.01321	0.3
217.07274	0.8
223.02817	50.7
224.02869	3.7
225.00682	0.5
241.03900	0.7
275.05908	0.7
289.07529	1.9
290.07632	0.4
291.09079	100.0
292.09222	11.3
292.12622	0.4
307.08600	0.4
307.12170	4.2
308.12164	0.5
309.10156	1.5
310.10217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
59.96709	0.4
62.69472	0.3
69.96886	0.2
74.99070	6.4
91.02210	3.4
93.00124	2.8
127.87033	0.2
135.04495	2.1
139.35168	0.3
141.51077	0.2
143.05353	0.3
149.00957	2.2
150.98961	0.3
154.00677	0.5
159.08463	7.0
160.08583	0.3
161.06412	2.1
179.03436	1.6
192.98221	0.7
206.99634	2.0
209.01256	3.0
210.01123	0.3
210.99324	0.3
217.07220	0.7
223.02824	52.7
224.02858	4.5
241.03931	0.7
275.06064	0.4
289.07474	1.5
291.09088	100.0
292.09204	12.5
307.12180	4.1
308.12411	0.7
309.10031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
54.04963	0.9
57.03419	0.9
59.01379	44.7
63.22443	0.6
69.60152	1.1
69.60506	2.5
69.89476	0.6
71.01380	16.9
73.02928	1.6
76.86121	0.9
83.01384	1.5
85.02945	4.8
87.00882	1.3
89.02446	17.2
95.01434	0.9
99.08155	19.0
101.02448	13.0
103.72327	0.7
113.02437	6.2
119.03491	6.1
119.04823	0.8
127.07627	2.1
129.09242	1.9
141.09219	1.4
143.03468	0.9
145.08707	54.3
146.09019	2.6
157.83212	0.7
179.05585	0.9
187.09782	1.3
270.73965	0.7
307.13983	100.0
308.14285	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	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.0
71.01390	3.6
85.02972	2.1
89.02440	4.4
98.21767	1.1
101.02461	2.4
109.03019	0.7
113.02474	1.7
119.03500	2.8
121.02977	0.9
125.02507	1.0
135.04529	14.5
143.04590	0.7
145.02992	1.3
145.08688	1.3
161.01288	0.5
161.02531	2.1
163.04002	0.9
169.01396	0.7
173.15579	0.5
179.03491	14.7
180.03641	1.0
185.01230	0.6
189.01915	3.1
191.03865	0.5
191.05659	2.3
217.01440	5.3
219.02916	1.2
241.53949	0.8
245.00883	10.8
245.03210	0.7
263.02060	2.4
268.62885	0.6
307.08292	5.6
307.13953	8.9
307.31210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
57.03448	6.0
59.01382	7.2
60.51442	1.0
67.01865	2.5
69.03445	3.8
71.05019	1.3
79.97443	1.1
80.02653	2.9
81.03439	6.1
83.01379	9.0
83.05006	4.6
93.03455	1.2
95.05010	4.8
97.02960	5.7
97.06587	11.4
106.04243	2.5
107.05027	1.2
109.06544	2.8
110.03728	3.0
119.05008	1.2
119.08690	1.6
121.06580	3.2
121.10238	1.3
123.04509	10.6
123.08142	4.4
125.06059	2.5
125.09717	20.1
127.07666	1.5
132.11136	1.3
135.04523	5.3
135.08139	4.0
136.05283	1.3
137.06119	1.0
137.09717	15.1
141.12894	2.2
149.06065	3.1
151.11359	1.3
154.00618	6.5
158.47685	1.1
161.09639	1.3
163.07695	2.2
163.11279	18.9
164.08318	1.1
164.11682	1.4
165.09120	2.0
165.12846	3.4
167.10669	2.2
171.10255	1.8
175.11153	1.6
177.12823	2.3
179.03474	3.5
179.10739	1.7
181.12315	4.2
185.11807	24.0
186.12317	1.2
189.12787	1.7
191.10732	5.7
191.14392	23.1
192.14604	1.2
207.10265	13.1
209.11818	52.3
210.12108	2.6
211.13416	2.2
217.16034	1.2
225.11290	10.7
227.17882	1.7
245.16536	2.3
245.19087	46.3
246.19342	4.0
247.17154	1.3
263.16528	1.7
263.20190	4.0
271.17068	5.7
289.18085	100.0
290.18463	8.0
307.19107	50.3
308.19418	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	307.1915
Annotation	Soraphen O
Peak:m/z	Relative Intensity
59.01378	3.0
61.98837	1.0
71.05034	4.0
72.24751	0.9
72.51355	0.9
78.58341	0.7
81.03472	2.1
83.02996	0.9
83.05018	1.8
95.05019	1.6
98.03732	1.9
109.06589	13.5
111.04519	5.7
111.08186	1.6
123.08162	1.5
127.07648	3.2
135.04549	6.1
137.06093	0.9
137.09686	1.0
143.10793	1.0
145.06615	3.0
149.09763	1.7
167.10736	2.4
179.03508	6.0
179.10890	1.3
191.14453	1.5
195.13924	4.4
201.41676	0.8
207.17435	1.0
235.13400	2.3
241.38658	0.7
244.09868	0.8
245.19124	4.3
251.16505	1.8
268.54300	0.9
271.16995	1.2
287.16434	1.7
289.18088	100.0
290.18381	8.1
307.16217	1.3
307.19211	9.4
315.26437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19780	3.2
57.03445	11.8
59.01357	11.4
61.98827	4.5
64.14475	3.6
71.01377	14.8
71.25401	3.7
77.51752	3.7
81.85109	4.5
83.05032	5.7
93.90746	3.6
95.05066	4.3
97.06599	23.1
109.06580	7.3
111.08138	10.9
125.09755	8.9
126.01166	21.3
135.04530	24.7
137.09792	3.9
149.09712	4.9
151.11328	27.8
153.12802	4.5
153.99493	6.1
154.00664	88.9
155.01022	4.3
155.10793	12.5
163.11247	8.7
165.12836	38.6
177.12877	6.4
179.03490	21.1
179.10722	11.4
179.63177	3.9
181.12343	61.9
191.10857	20.9
191.14401	11.5
194.49251	3.4
197.11835	5.8
205.12358	6.8
209.09824	4.8
209.11826	100.0
210.12270	4.9
211.13435	6.9
224.23145	3.9
245.19119	44.3
263.20163	10.8
279.19650	7.1
289.18167	41.3
306.97293	4.1
307.19138	69.4
308.19220	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
56.36809	5.3
57.03444	16.1
58.07518	5.8
59.01377	21.1
61.10385	5.8
61.98842	6.0
70.91695	6.0
71.01385	13.6
74.58389	5.2
74.69149	5.3
76.13031	5.8
83.05028	7.9
95.05008	5.1
97.06590	23.0
109.02946	6.2
111.08131	12.8
125.09715	11.4
126.01150	10.4
135.04524	43.3
149.09706	6.9
151.11293	18.2
153.09166	8.2
154.00653	21.9
155.10754	14.0
163.11302	11.4
164.83643	6.4
165.12794	34.3
167.10837	8.0
179.03477	38.5
179.10767	8.9
181.12347	42.5
191.10764	20.0
191.14502	7.6
194.64711	5.6
209.11848	72.3
210.12204	8.1
211.13351	5.5
226.12256	5.2
245.19138	46.5
258.91339	5.1
263.20193	11.6
278.57715	5.5
279.19528	8.7
285.95331	6.1
289.18033	43.4
307.19119	100.0
308.19424	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62335	1.1
59.01117	1.7
59.01383	19.6
69.27934	2.0
69.28337	5.4
71.01384	15.5
74.80636	1.3
75.51163	1.1
83.01403	1.2
85.02944	9.0
87.00864	7.4
89.02441	10.0
96.49979	1.2
96.96006	1.5
98.21866	2.5
99.00922	1.4
101.02457	2.1
101.21130	1.2
108.02181	1.9
109.02916	1.3
113.02431	3.4
115.00372	45.0
117.01952	4.8
119.03527	2.0
125.02440	3.7
127.30700	1.2
129.05566	5.8
149.02426	1.3
151.07640	4.5
155.07106	2.4
169.01414	2.8
173.08136	1.7
175.02478	100.0
176.02757	3.4
179.05635	1.8
191.05627	6.1
206.02283	1.3
211.09784	3.6
213.07721	7.8
265.03629	2.9
273.09802	10.7
309.07266	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
58.00588	2.1
59.01379	100.0
60.01696	1.3
61.20328	1.1
66.92169	1.0
67.05537	1.6
67.06246	1.0
71.01381	43.3
72.99319	1.4
73.02928	1.4
77.20078	1.0
83.01386	1.6
85.02950	62.1
87.00866	1.9
89.02446	65.6
95.01373	1.9
95.50081	1.0
98.22620	2.1
101.02441	23.1
113.02449	19.0
119.03502	25.8
129.05580	46.0
131.03482	4.0
143.03474	4.6
149.04485	1.7
161.04538	5.6
166.51698	1.4
179.05603	17.9
183.88449	1.1
190.16280	1.1
196.60805	1.1
199.88632	1.1
309.11938	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	309.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79966	1.3
53.02039	1.6
59.01378	100.0
61.38801	1.6
62.21640	1.3
67.05521	2.5
69.60075	4.8
69.60440	2.8
71.01378	44.4
81.06578	1.4
85.02950	51.0
89.02441	57.8
95.01388	4.9
101.02451	15.7
113.02444	17.2
119.03501	24.4
129.05580	44.1
131.03548	3.5
143.03444	3.6
161.04567	4.1
179.05614	13.4
202.95616	1.5
218.40628	1.6
290.75980	1.5
309.11972	7.0
314.24646	1.4
333.78641	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	309.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56732	1.1
57.76250	1.3
59.00300	1.1
59.01381	4.2
69.76999	2.3
69.77383	2.5
71.01355	1.4
79.95743	10.9
83.39843	1.1
85.02964	1.4
89.02446	2.1
91.86444	1.1
94.98071	1.6
95.95243	1.7
96.96008	79.0
99.00875	2.1
119.49538	1.3
122.97575	2.7
151.03996	2.4
152.08434	6.9
170.03336	1.2
209.15477	7.2
289.03534	1.3
309.17361	100.0
310.17630	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01379	8.5
60.10684	2.9
67.01897	3.7
80.02664	8.8
81.03480	4.6
83.05035	23.2
84.02164	7.8
87.12250	2.8
89.02501	3.1
97.06618	4.7
99.00887	4.2
99.08157	9.7
111.08133	3.1
115.07667	5.5
116.26112	4.0
121.02337	3.3
125.09755	4.9
127.11292	4.1
137.09718	50.1
139.11278	11.2
149.45518	3.2
151.03998	5.6
151.07657	5.3
152.08385	17.9
153.09181	8.2
154.00681	3.6
155.10780	44.9
156.00363	3.8
165.12689	3.1
171.10271	46.8
177.12921	3.4
190.94371	3.3
193.12360	22.4
209.15527	14.7
211.13365	3.5
247.20731	6.9
263.19968	4.2
265.21631	7.4
280.85797	3.1
291.19666	100.0
292.19885	7.5
309.17068	23.2
309.20581	83.5
310.20984	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.62943	1.2
57.03460	8.4
59.01365	5.2
63.37212	1.2
69.03457	3.3
70.98808	1.3
71.05013	7.1
79.11781	1.1
83.05023	3.4
85.06558	6.4
87.04513	2.7
95.04980	1.2
97.02946	3.8
97.06599	3.4
109.06584	4.4
110.63298	1.1
111.04443	2.9
111.08121	1.4
156.53703	1.1
167.10753	2.2
179.10863	1.8
179.14427	4.1
188.56387	1.1
195.13896	27.4
196.14301	2.8
205.12291	2.7
221.15450	20.7
222.15742	2.1
223.13411	15.7
223.16983	1.7
233.15436	2.0
235.17017	1.5
239.16576	6.3
247.20702	3.7
251.16440	2.0
273.18552	4.3
281.21390	1.4
291.19650	69.4
292.20059	6.6
309.20706	100.0
310.21042	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	309.207
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
51.86921	1.1
52.39354	1.1
57.03439	1.1
59.01353	1.4
69.03438	1.5
111.08158	31.0
127.07670	1.6
143.87851	1.2
151.11209	1.4
152.08429	2.7
153.12852	1.9
169.12294	7.4
193.12575	1.1
197.11818	100.0
198.12195	6.3
199.13373	3.7
209.15419	3.8
211.13435	7.6
227.12860	2.9
229.89272	1.1
263.20142	4.6
265.17990	2.8
273.18570	1.5
291.19653	18.9
292.20084	2.3
309.17068	6.2
309.20645	39.6
310.20999	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	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
52.36404	0.8
58.00583	1.9
59.01373	1.8
69.03463	1.0
69.87875	1.9
69.88243	1.5
71.01361	0.9
83.05040	1.2
92.06107	0.9
93.07120	1.2
102.81105	0.9
109.06596	2.1
111.08156	28.4
112.08524	1.0
121.31481	0.9
127.07635	1.9
140.31195	0.9
150.11554	0.9
151.11295	1.8
152.08403	1.6
153.12872	1.6
169.12361	7.0
181.12357	2.6
197.11821	100.0
198.12195	4.5
199.13454	2.7
211.13396	12.6
221.11758	1.0
227.12929	1.8
243.90312	0.9
263.20193	8.3
265.18045	1.8
273.18585	1.0
291.19690	18.6
292.20056	1.5
309.17282	1.9
309.20688	38.5
310.21005	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03436	0.6
59.01374	2.3
63.37764	0.4
69.03424	0.5
70.44111	1.1
71.01391	0.8
73.69270	0.5
95.05010	0.4
97.02967	0.8
97.06590	2.0
98.03699	0.4
111.08142	0.9
113.09751	2.9
115.07643	1.6
125.06098	0.8
126.06860	1.5
127.07681	0.6
139.11305	1.2
141.09215	1.7
151.04002	0.6
151.07672	0.6
151.11308	0.6
152.08379	1.7
163.11282	0.5
165.12849	4.2
167.10774	0.9
167.14394	1.8
177.12860	0.7
179.14485	0.7
181.12296	4.0
183.13747	1.1
193.12225	2.4
193.15981	0.6
195.13885	2.5
209.11784	0.6
209.15442	1.4
211.13387	4.2
212.13620	0.6
213.14847	0.8
221.15491	2.0
229.14494	0.9
239.12909	0.6
240.13681	2.7
241.14493	0.5
247.20735	3.9
263.20273	0.6
265.21722	0.9
273.18689	3.4
281.21112	0.9
291.14877	0.7
291.19659	41.1
292.19937	4.3
309.17462	4.2
309.20694	100.0
310.21021	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	309.2071
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01888	1.9
57.03444	2.3
59.01375	7.6
70.62974	1.6
71.01372	3.0
71.05016	2.2
76.23824	1.4
81.03441	4.3
83.01383	10.2
83.05035	5.2
86.74510	1.4
96.96022	2.4
97.06595	5.1
111.08157	1.6
123.04504	2.2
123.08156	2.8
125.06119	2.6
125.09711	11.6
135.08215	2.1
139.11324	13.8
147.11786	2.0
148.05263	2.2
151.03960	3.5
151.07655	2.4
152.08446	7.0
154.00679	2.6
156.00430	2.7
163.11304	8.7
163.12498	1.8
165.12868	13.1
167.10753	5.9
181.12299	3.8
183.14001	2.4
191.10750	3.7
193.15968	5.0
209.11827	60.6
209.15424	6.5
209.17165	1.7
210.12190	4.2
219.17403	1.7
247.20636	14.3
250.24551	1.8
265.18066	2.4
265.21762	3.2
273.18619	4.6
280.76620	1.7
281.21060	2.7
291.19656	100.0
292.19940	8.1
302.17117	1.7
309.17032	13.5
309.20688	34.9
310.21115	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.01934	0.8
59.01371	3.1
67.01877	2.6
71.01371	1.2
82.40134	0.8
83.05010	1.7
85.02950	0.9
89.02451	1.0
95.05017	1.7
97.06562	1.5
111.08145	5.4
121.10259	6.0
123.08155	1.6
125.09706	4.0
137.09721	15.4
149.09692	1.3
155.11192	1.0
167.14316	0.9
171.10268	24.5
171.28642	0.9
172.10608	1.0
185.11865	6.5
185.13327	1.3
195.13844	4.0
197.11845	3.1
208.85336	0.9
211.13394	38.9
212.13771	3.5
247.20546	1.5
291.08975	3.4
291.19659	100.0
292.19986	8.8
309.20557	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.9
62.20895	0.4
67.01879	0.5
69.69474	1.3
71.01377	1.4
73.02949	0.7
75.00840	0.5
83.01385	2.3
84.04848	0.4
85.02928	1.3
89.02473	0.4
93.03423	1.3
95.10731	0.4
97.02913	1.2
98.22708	0.5
99.00865	1.4
101.02432	0.5
105.07092	0.5
107.05008	0.7
108.02170	1.5
109.02946	38.4
110.03260	1.2
111.00877	17.5
115.95197	0.4
119.05032	0.7
121.02963	2.4
121.06606	1.1
122.03703	0.6
123.04521	2.8
124.01611	0.7
125.02420	0.5
131.05037	1.4
133.02922	0.8
134.03731	1.2
135.04520	27.2
136.04860	1.0
137.02400	0.9
137.06053	0.8
139.04008	2.5
145.02995	0.5
147.00827	0.6
147.04520	4.7
148.05290	1.1
149.02431	3.6
149.06081	11.9
150.03239	1.9
150.06355	0.8
151.03970	1.6
153.01888	0.7
159.04523	3.5
161.02480	1.9
161.05984	0.7
162.03224	5.3
163.04008	4.7
164.04761	0.8
165.01926	1.2
165.05540	3.9
171.04523	0.5
173.02412	0.7
173.06110	0.7
174.03270	0.8
175.03987	4.9
176.04697	1.7
177.05560	39.7
178.05919	1.9
179.03490	5.3
181.05168	0.6
189.05559	1.2
190.02705	1.0
191.03534	2.8
191.07111	0.5
193.05087	0.7
194.09430	0.4
201.05461	0.7
203.03546	4.0
205.05019	1.1
206.02209	0.8
207.06586	0.7
211.05731	0.5
219.03029	4.7
219.06573	6.7
220.03065	0.5
221.04533	100.0
222.04857	5.5
231.06618	0.9
233.04637	0.5
239.05586	0.6
245.04536	0.7
249.07677	0.9
263.05536	3.6
267.08694	3.3
293.06625	2.8
311.07693	32.3
312.08044	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	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
62.88344	0.7
66.35098	0.8
67.01869	0.9
69.03448	2.3
70.51469	1.3
71.01381	2.0
82.19472	0.8
97.02951	2.2
98.21958	0.7
105.07104	1.0
107.05045	1.8
108.02158	1.7
109.02950	23.9
110.03291	0.7
111.00877	6.7
113.49229	0.7
115.05582	1.0
119.05029	2.0
121.06526	1.2
123.04507	1.1
130.04237	0.8
131.05025	1.3
133.02936	2.3
133.06567	1.1
134.03725	2.3
135.04520	29.7
136.04886	1.4
137.06076	0.9
143.05025	8.3
145.02895	0.9
145.06599	0.9
146.03748	1.8
147.04497	2.9
148.05313	3.8
149.02420	1.8
149.06076	29.4
150.03377	0.9
150.06429	0.8
151.03970	2.6
158.03738	1.1
159.04498	3.2
160.05304	0.9
161.02466	1.9
161.06067	16.2
162.03223	2.1
163.03952	2.0
163.07561	1.1
164.04767	1.5
165.05530	3.3
170.04099	0.8
171.04515	12.4
171.05927	1.4
172.05203	1.1
174.03244	3.9
175.03972	2.7
176.04849	1.3
177.05563	100.0
178.05913	3.7
179.03505	3.2
188.04845	1.3
189.05560	81.5
190.05931	5.2
191.03554	1.6
193.04938	0.8
201.05608	1.0
203.03473	1.1
207.06630	8.1
219.03047	1.2
219.06627	3.0
221.04535	34.3
222.04883	1.9
239.05507	0.9
249.07578	0.9
251.05557	1.4
264.81622	0.8
267.08820	6.7
298.26385	0.9
311.07681	22.1
312.04883	1.7
312.08032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
61.41372	0.8
71.01375	1.4
76.80752	0.7
83.01392	2.6
91.08447	0.7
93.03487	2.2
93.81097	0.7
95.01390	1.1
99.00871	2.5
105.03468	1.1
107.05020	1.6
108.02183	1.8
109.02953	32.5
110.03257	1.2
111.00884	17.4
116.98534	0.8
121.02937	3.8
121.06583	1.0
122.03833	0.9
123.04546	4.6
124.01695	2.4
125.02443	11.7
131.05037	2.1
133.02965	3.6
134.03761	1.5
135.04526	32.5
136.01639	1.2
136.04861	1.9
137.02441	2.4
137.06047	0.8
138.03241	3.8
139.04041	5.8
147.00873	1.8
147.04503	9.9
148.05267	2.3
149.02444	12.3
149.06081	19.5
150.03209	1.7
151.04001	3.5
152.01134	1.6
159.04530	6.0
161.02460	6.0
162.03226	11.8
163.03996	3.0
164.01167	3.9
164.04733	0.8
165.01926	4.8
165.05550	1.9
166.02696	5.4
167.03455	1.5
167.71597	0.9
173.02394	1.6
174.03152	1.0
175.04016	6.5
176.04713	1.1
177.02132	4.5
177.05569	86.3
178.05902	4.6
179.03465	5.1
189.01979	1.1
189.05597	1.1
190.02739	5.6
191.03506	2.8
192.00632	16.3
193.01404	22.3
193.05038	3.1
194.99284	1.2
195.02972	1.1
201.05585	0.8
203.03482	8.6
205.01404	7.4
205.05110	0.8
206.02153	9.2
207.02972	2.1
209.00972	1.4
219.06479	1.5
221.00945	8.9
221.04538	100.0
222.01735	4.4
222.04840	4.5
233.00949	1.9
234.01678	10.8
237.00330	1.5
266.86404	1.1
267.08691	5.4
311.07718	82.3
312.04871	58.0
312.08142	5.7
326.37225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89923	0.1
56.36320	0.1
59.01359	0.3
61.18909	0.1
63.54497	0.1
69.55142	0.5
83.42081	0.1
98.22585	0.1
103.05518	0.2
104.82682	0.1
106.04265	0.2
108.02153	0.2
111.25117	0.1
112.69035	0.1
115.00349	0.2
121.06592	0.3
130.04211	0.1
131.04985	0.3
148.05325	1.7
149.06076	100.0
150.06415	4.3
175.02487	0.5
183.33675	0.1
241.28392	0.1
281.05704	0.3
296.08090	0.1
310.13065	0.1
311.10785	2.0
312.11325	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	311.1137
Annotation	Manglieside A
Peak:m/z	Relative Intensity
59.01381	0.2
98.22787	0.2
100.61697	0.1
108.02152	0.4
108.04559	0.2
116.82506	0.1
121.06574	0.2
121.09782	0.1
121.82423	0.1
122.03761	0.9
122.06129	0.2
131.05087	0.2
133.49092	0.1
147.04512	0.9
148.05307	1.5
149.06079	100.0
150.06413	4.5
160.04041	0.2
173.39995	0.1
175.02489	0.3
188.03494	0.2
239.11943	0.1
244.80478	0.2
262.83459	0.2
267.11328	0.2
281.05637	0.6
311.10440	4.2
312.10785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2016
Annotation	Longithorone K
Peak:m/z	Relative Intensity
69.39060	0.3
69.39439	0.4
78.20106	0.1
98.95591	0.5
133.06580	2.2
143.60612	0.1
149.09717	100.0
150.10049	4.5
183.01193	3.1
184.01941	0.6
249.22144	0.3
275.93808	0.2
293.19162	0.2
311.16849	8.2
311.20132	59.2
312.17206	0.6
312.20474	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	311.2015
Annotation	Longithorone K
Peak:m/z	Relative Intensity
61.64518	1.1
69.60235	2.3
69.60615	2.7
93.03448	12.5
106.57959	1.3
133.06551	1.3
135.04529	1.6
135.08177	2.8
141.87239	1.1
149.09709	100.0
150.09998	4.2
163.11292	3.0
183.01180	16.5
205.15950	9.4
271.96167	1.2
307.52951	1.2
311.16736	33.5
311.20123	62.2
312.17062	2.9
312.20486	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	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.03704	0.7
57.03435	1.5
59.01374	2.4
68.24652	0.6
73.69344	0.6
77.90421	0.6
83.05014	0.9
97.02916	0.7
97.06545	0.9
97.87813	0.6
99.08177	3.0
111.08118	0.6
113.09748	3.4
115.68241	0.6
125.09711	0.8
125.27654	0.6
129.09221	5.8
139.11287	3.0
151.11285	1.1
153.12915	0.9
163.11351	1.0
165.12779	0.6
167.10648	0.9
169.12320	2.8
171.10281	7.6
181.12302	3.8
183.13895	2.6
185.11815	1.4
192.01048	0.6
193.12375	4.3
196.26573	0.7
197.11800	11.2
198.12169	1.1
199.13365	4.9
201.11305	0.8
211.13376	18.6
212.13708	1.0
223.20717	1.1
267.19684	0.9
275.20187	1.2
293.21201	19.9
294.21545	1.9
311.22266	100.0
312.19171	1.0
312.22614	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.21762	0.8
53.11771	0.7
54.72831	0.6
58.00591	8.5
59.01375	1.9
70.17484	0.7
71.01383	0.7
73.02932	1.3
98.21864	1.6
104.16939	0.7
109.06595	1.8
110.76984	0.6
111.03348	0.6
125.09703	1.5
127.07652	6.3
127.11284	1.0
169.44792	0.7
171.10269	2.2
183.13889	23.5
184.14313	1.0
195.13899	2.2
197.41829	0.7
201.11295	12.0
206.86188	0.7
213.14951	6.5
223.13451	2.0
233.00693	0.7
241.14436	6.4
266.11166	0.7
275.20172	1.9
289.34869	0.7
293.21219	7.9
304.05167	0.8
311.22260	100.0
312.22656	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.98426	1.6
59.01360	3.3
61.98823	2.1
71.42765	1.9
99.08179	5.5
108.12253	1.8
112.33015	2.0
113.09719	3.8
129.09198	14.0
169.12370	2.8
181.12320	7.8
183.14011	1.8
185.22481	1.8
193.12320	2.7
197.11887	7.6
199.13419	4.0
211.13380	24.0
212.13762	1.6
212.55655	1.7
273.04785	1.8
293.21225	19.4
311.22275	100.0
312.22662	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03436	1.6
58.00590	0.6
59.01374	1.6
67.52624	0.5
69.88597	1.6
71.01402	0.6
80.02689	0.5
83.05025	0.9
98.22562	0.7
99.08168	3.4
111.08167	1.0
113.09728	3.5
123.08126	0.8
125.70454	0.5
127.07633	0.6
129.09215	8.2
139.11275	1.2
151.11284	0.8
153.12868	0.9
155.10774	0.5
163.11281	0.7
167.14386	0.7
169.12369	3.6
171.10292	2.1
181.12309	5.4
183.13901	2.1
193.12338	2.2
197.11806	11.0
198.12071	0.6
199.13390	4.6
201.11346	0.9
211.13393	21.1
212.13684	0.9
275.20193	1.8
293.21201	16.3
294.21457	1.4
311.22260	100.0
312.22589	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.35986	0.4
50.90225	0.4
57.03468	0.5
93.54522	0.4
113.09751	1.0
115.07654	1.4
127.07698	0.7
127.48017	0.4
128.00909	0.8
128.08466	0.8
146.58099	0.4
156.00340	1.6
167.14424	3.3
183.13835	2.3
195.13901	9.9
211.13391	1.5
213.14973	1.7
242.15186	0.7
249.22218	0.8
265.21982	0.5
283.22821	0.6
293.21225	8.9
311.22266	100.0
312.22607	8.0
319.18008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
57.03458	6.0
59.01376	5.6
68.37453	3.1
79.72255	3.3
100.51601	4.1
125.09713	11.9
133.74191	3.6
152.98830	3.1
183.01186	40.5
185.11771	20.0
197.02747	8.8
197.11815	4.7
209.05704	3.6
243.48085	3.7
293.21204	88.4
294.21542	8.5
305.52625	3.3
311.16852	100.0
311.20663	5.1
311.22372	8.8
312.17044	9.6
325.85699	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.16080	1.7
54.33006	1.4
59.01371	3.7
61.98831	2.0
69.12233	5.0
69.12636	4.3
70.52336	1.5
86.94480	1.6
98.21879	3.2
99.08134	5.4
113.09712	3.6
115.59254	1.6
129.09215	17.7
140.36099	1.8
153.12904	2.3
169.12337	3.7
181.12341	7.9
182.28772	1.8
183.13890	2.8
189.51192	1.7
193.12259	2.4
197.11800	12.0
199.13396	5.3
211.13394	25.4
212.07272	1.6
212.13721	1.7
213.14964	1.6
214.15367	1.5
275.20258	3.6
293.21167	16.2
311.22269	100.0
312.22574	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	312.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63127	0.1
59.01357	0.5
61.48489	0.1
64.45243	0.2
65.00311	0.3
69.28104	0.9
71.01369	0.4
76.91344	0.2
81.03434	0.5
89.03970	0.3
93.03452	0.6
94.00622	0.2
95.01409	0.3
95.04987	0.3
96.02129	0.2
97.02929	0.3
105.03456	1.2
106.04269	0.5
107.01430	0.2
108.02182	1.1
109.02953	1.5
111.00874	0.5
117.03441	0.6
119.04996	0.3
120.02159	0.2
121.02930	2.4
122.03706	0.2
123.00880	1.3
123.04558	0.8
124.01655	4.3
125.02444	18.7
126.02811	0.5
132.02165	0.2
133.02954	2.6
134.03746	0.4
135.04520	0.3
136.01669	2.6
137.02429	2.2
138.03224	4.8
139.00308	0.2
145.02995	0.9
146.03716	0.2
147.00885	0.2
148.01639	0.7
149.02432	5.6
149.99571	0.7
150.03239	1.5
151.00410	0.9
151.04002	4.6
152.01163	2.2
152.04657	0.3
153.01959	0.8
154.02708	0.5
159.04535	0.2
160.01569	0.4
161.02441	8.6
162.03220	5.2
163.00385	0.8
163.03824	0.7
164.01154	6.2
164.02547	0.3
164.04744	0.5
165.01935	3.3
166.02711	8.7
166.67531	0.2
166.99919	0.2
167.03500	2.2
168.00609	0.6
169.01396	1.1
173.02426	0.8
174.03238	0.4
175.00366	0.2
175.03975	0.5
176.01103	0.5
177.01921	7.4
177.05409	0.3
178.02676	0.9
178.05907	0.6
178.99860	2.0
179.03500	1.7
180.00624	1.2
181.01416	0.2
188.01129	0.2
189.01921	2.7
190.02711	8.7
190.99876	0.7
191.03441	1.9
192.00639	24.6
193.01401	39.5
194.01968	2.1
194.99315	2.1
195.03011	1.6
198.01747	0.4
202.02686	0.6
203.03505	2.4
204.00607	0.4
204.04018	0.2
205.01402	13.1
206.02182	8.2
207.02908	1.7
208.00099	1.0
208.03648	0.2
209.00917	1.9
210.01622	0.4
211.02446	0.3
219.02937	0.7
220.00038	0.8
220.03633	1.1
221.00905	13.2
221.04210	1.9
222.01656	6.0
222.04834	1.0
223.02248	0.4
233.00876	1.8
233.04570	0.3
234.01677	17.3
235.02208	1.6
237.00391	2.1
237.03999	0.3
238.01201	0.3
239.01933	0.8
251.02054	0.2
263.01974	0.3
272.70959	0.2
294.03787	0.4
295.04684	0.5
299.66974	0.2
312.04846	100.0
313.05264	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	313.0564
Annotation	Norbergenin
Peak:m/z	Relative Intensity
59.01366	1.1
59.93693	0.5
65.00300	0.5
65.03951	0.6
65.42157	0.4
69.88024	0.4
71.01365	0.8
88.85197	0.4
93.03447	2.1
98.21783	0.8
105.03471	0.7
107.05011	1.1
108.02151	0.9
109.02935	1.6
117.03498	1.0
119.04999	0.7
121.02934	3.2
123.00891	0.6
123.04523	3.3
125.02414	2.1
135.04491	1.8
137.02438	6.0
138.03151	0.7
139.03983	0.6
145.02931	1.7
149.02470	6.2
151.04025	4.9
161.02379	1.7
162.03203	0.9
163.03987	1.4
164.01151	1.9
165.01929	9.3
167.03552	0.6
169.01410	1.8
173.02422	0.7
179.03487	2.1
189.01985	0.8
191.03511	1.3
192.00677	1.9
193.01404	100.0
194.01784	4.8
194.12964	0.5
195.02963	1.3
205.01410	0.9
206.02180	1.4
207.02974	8.4
223.02466	1.1
235.02444	10.0
313.05646	64.0
314.05939	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.44257	0.3
57.17653	0.3
69.10020	0.4
69.10426	1.4
72.34995	0.3
81.25491	0.3
84.10290	0.3
108.02158	1.3
121.02955	100.0
122.03296	3.0
180.05794	0.8
181.05138	0.5
181.06583	3.9
182.06770	0.3
204.29189	0.3
206.47595	0.3
210.99063	0.3
225.05583	6.6
226.06064	0.4
267.98941	0.3
269.08493	0.4
313.07172	16.9
313.23334	0.3
314.07529	1.2
319.05328	0.3
333.46509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62627	1.7
55.94282	1.8
59.01371	2.7
69.19521	8.1
71.01378	6.7
85.02959	4.8
101.02443	5.6
108.02170	100.0
109.02960	29.0
113.02470	4.7
117.14275	1.7
121.02937	2.2
123.04504	8.2
151.03975	5.2
152.01146	48.2
153.01929	24.5
153.05557	9.0
161.04558	9.3
163.04018	1.8
169.01404	2.9
271.08163	6.9
315.07205	69.0
330.47696	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	314.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29976	3.6
69.42676	14.4
71.01366	6.7
84.26679	3.4
92.58936	3.6
101.02464	3.9
108.02173	100.0
109.02934	23.4
113.02401	3.5
142.78067	4.0
151.04016	6.4
152.01198	8.6
153.01906	5.8
153.05583	5.3
161.04570	22.2
190.17816	3.7
262.20706	3.6
271.08121	12.6
272.05161	3.7
315.07132	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0147
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.88121	0.4
53.34858	0.3
54.40607	0.3
90.27963	0.3
98.21896	0.9
108.33730	0.3
124.01605	0.7
125.02444	1.2
132.02139	0.6
142.24142	0.4
144.02141	0.6
160.01656	1.0
169.01407	1.2
169.95059	0.3
172.01660	1.9
184.94496	0.4
188.01166	1.3
200.01125	3.3
209.52467	0.3
216.00603	5.4
226.99934	0.9
228.00587	0.7
232.02969	0.6
242.99345	2.1
244.00125	4.3
262.40488	0.4
270.86362	0.3
270.98862	1.2
271.99646	1.0
282.98871	0.6
298.98242	1.6
299.99097	100.0
300.99463	8.1
315.01450	64.5
315.54324	0.7
316.01761	5.8
316.76932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01381	0.8
59.08028	0.5
70.50850	1.0
71.01384	1.8
73.02939	1.0
81.03471	1.0
83.01340	0.7
85.02949	1.6
95.01303	0.6
101.02436	0.9
103.82971	0.5
104.15453	0.5
108.02171	100.0
109.02973	28.1
110.03310	0.8
113.02451	1.0
121.02910	1.0
123.04517	1.5
133.02991	0.5
151.04050	1.1
152.01154	59.8
153.01952	21.8
153.05573	1.0
154.02274	0.6
163.04005	1.4
165.01913	1.9
195.02992	0.7
290.17038	0.5
315.07211	69.9
316.07520	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	315.1084
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.66183	0.3
51.50011	0.3
52.72562	0.3
53.02969	0.3
58.98223	0.3
59.01363	0.7
61.91098	0.3
62.25836	0.3
70.66067	0.4
93.03444	0.4
95.05029	0.7
99.70853	0.3
108.02172	0.6
109.02961	1.2
122.03706	0.7
123.04522	71.3
124.04835	1.9
125.02407	0.8
151.00397	0.5
153.05571	100.0
154.05907	3.9
169.01451	1.8
291.59183	0.4
315.07135	1.7
315.10822	3.0
316.03226	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	321.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77969	0.5
52.65020	0.5
59.01378	5.9
63.90780	0.4
69.65652	2.0
71.01377	2.0
73.02946	0.8
84.04546	0.8
85.02956	0.7
89.02432	0.8
95.05028	0.9
101.02451	1.6
112.04043	4.9
113.02478	0.7
121.05336	1.8
122.06136	4.3
123.03283	2.2
124.04059	5.5
124.07682	7.3
126.01999	0.9
134.06120	3.9
136.07684	100.0
137.06105	10.6
137.08012	4.5
138.05600	15.7
138.06584	0.9
138.09245	8.8
140.07207	1.6
147.04539	1.1
165.07971	0.7
184.06161	8.5
190.02748	0.9
193.05081	0.9
205.15512	0.7
216.13945	0.8
218.02213	2.7
244.95334	0.6
257.32971	0.6
259.14490	20.8
260.14944	1.5
277.03378	0.8
303.13528	1.9
321.02530	0.9
321.14603	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	322.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79744	0.7
53.87936	0.7
59.01380	48.8
59.91156	0.8
69.27667	3.6
71.01379	4.3
72.00906	24.6
85.02946	0.9
89.02436	4.9
91.05533	2.4
93.54855	1.0
101.02445	2.2
103.05537	2.3
104.90237	0.8
109.19237	1.0
113.02438	1.8
114.19897	1.0
119.03500	1.8
120.03000	0.8
125.02444	3.2
141.48883	0.8
141.98235	9.3
147.04521	69.5
148.04825	3.3
164.07159	100.0
165.07539	4.6
167.81760	0.7
174.99229	1.6
179.05608	1.1
187.98724	7.3
188.00035	0.8
198.78558	0.8
209.46730	0.9
229.99831	1.9
232.10577	0.9
297.47787	0.9
322.06073	98.8
323.06320	6.9
323.13550	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.14187	0.2
57.28519	0.2
57.58444	0.2
57.61725	0.2
58.02975	1.7
59.54341	0.2
70.74577	0.2
70.90997	0.3
71.06472	0.2
81.03442	0.6
95.05009	0.6
97.06582	0.3
97.40830	0.3
99.09804	0.2
109.06624	0.5
116.13335	0.2
116.59129	0.2
119.18258	0.2
124.05802	0.2
128.09857	0.2
128.10823	6.6
130.08737	100.0
131.09084	2.9
143.30266	0.2
165.12865	0.9
172.09866	0.3
277.16800	0.2
322.20212	33.5
323.20547	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30767	0.5
54.66002	0.5
59.01377	100.0
59.95406	0.5
60.01707	0.7
63.22151	0.5
70.68781	1.1
71.01384	4.5
73.02936	0.8
85.02935	1.5
89.02447	3.4
101.02433	3.1
101.06072	0.6
113.02468	1.9
113.57819	0.5
119.03499	1.4
125.02465	0.6
161.04558	2.3
179.05586	1.1
263.11404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45616	0.6
59.01361	0.5
70.48898	0.8
70.49256	0.6
97.06484	0.7
121.80122	0.6
123.04491	0.9
124.05251	1.1
137.06027	0.9
162.10445	0.8
165.09134	1.5
165.12790	1.8
167.10793	0.6
190.13519	0.7
190.35161	0.5
191.14445	0.8
207.13870	0.8
217.15904	0.9
261.22165	3.3
287.20126	0.8
305.21191	100.0
306.21576	10.8
323.22253	19.4
324.22650	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45517	1.0
59.01368	2.9
69.75114	2.0
69.75448	2.7
79.90725	1.3
85.06573	2.5
88.07008	1.0
96.96019	2.0
98.22566	1.5
115.62070	1.0
150.22319	1.0
153.18056	0.9
171.10291	2.2
175.38322	1.0
193.16003	3.4
193.54468	1.1
204.08603	1.1
209.15343	1.3
219.13918	1.1
220.14633	3.6
221.15375	1.3
237.14941	19.5
305.21182	5.5
323.22247	100.0
324.22568	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	324.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24237	7.6
71.42929	9.0
88.87975	8.0
91.60727	8.2
93.65365	7.4
110.97794	7.6
183.01167	39.8
259.16571	8.5
325.18353	100.0
339.62830	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
60.37510	0.4
71.03474	0.5
84.29216	0.3
93.03448	0.5
112.93374	0.3
118.04549	0.4
119.05025	100.0
120.05370	3.6
124.01694	0.4
137.02357	0.4
163.04012	75.4
164.04361	3.1
169.01430	0.4
241.03593	0.5
248.54494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.51435	3.0
57.03437	5.6
59.01377	9.7
61.12994	2.6
69.03457	5.8
71.01383	4.7
71.05003	7.1
81.03462	3.7
83.05033	7.9
86.92255	3.3
97.02991	6.3
97.06565	4.4
109.06588	36.8
124.32056	3.0
125.06091	3.6
126.64919	3.6
127.07652	5.0
151.11298	3.2
160.34956	3.2
164.65681	2.6
169.12370	10.2
181.12341	3.7
197.11815	72.1
199.13347	3.5
204.25995	2.7
211.13387	39.3
233.11595	3.2
235.13344	6.1
237.14995	4.7
241.33725	2.8
249.14912	3.6
325.20203	100.0
326.20563	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.32123	1.0
53.55089	1.0
55.18216	1.1
57.03439	2.1
59.01369	2.2
61.24475	1.0
62.35357	1.1
69.03504	1.1
71.01385	5.1
71.05000	2.5
72.02177	1.8
80.02666	1.4
83.05000	5.5
84.02156	2.1
95.05024	1.4
97.06596	3.4
98.21872	2.0
99.08154	4.3
104.04557	1.1
112.05302	2.3
115.07666	1.9
121.03006	1.6
123.08202	1.6
125.09731	6.7
127.07661	16.9
127.08534	2.0
135.08156	2.5
137.09737	1.2
139.07668	4.1
153.09204	12.8
153.31950	1.1
155.10802	3.6
163.11270	3.6
165.12820	2.6
171.10262	13.5
176.49156	1.1
178.09973	3.2
185.11833	15.7
185.63481	1.1
191.10861	2.1
191.14447	2.0
197.11833	18.2
197.92717	1.3
201.11371	1.4
207.10344	2.3
209.11819	65.7
210.12216	3.5
211.13408	2.5
227.12845	1.4
233.11697	1.4
236.10408	1.4
238.12146	6.8
239.16612	1.4
245.19063	2.9
256.13162	3.6
279.19540	1.7
281.21225	1.2
289.18112	11.2
307.19128	100.0
308.19467	10.9
325.16336	2.2
325.20187	46.9
326.20468	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09478	32.3
57.03444	50.5
59.01377	53.2
62.95792	29.4
68.56145	32.6
69.03450	32.6
80.96161	36.4
81.03444	45.0
83.01395	46.7
83.05036	69.3
89.81147	33.0
97.02955	28.1
97.06571	56.9
121.02991	69.6
123.04508	45.8
123.08195	36.9
125.09711	97.0
137.09718	54.4
163.11281	50.6
165.12845	32.7
167.10779	63.1
167.69753	34.5
170.33566	30.8
185.11844	61.4
194.57747	28.2
195.16309	31.1
207.10132	47.0
209.11864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.07762	0.3
53.90316	0.3
69.51934	1.2
95.54585	0.3
96.70154	0.2
98.21809	0.4
119.64438	0.3
133.06537	0.3
147.08177	0.4
149.09717	90.3
150.10057	5.0
162.52980	0.3
163.11282	100.0
164.11632	5.0
164.41939	0.3
167.10535	0.4
183.01205	5.0
184.01938	1.0
325.18378	9.5
325.21716	90.2
326.18753	1.1
326.22079	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	326.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49218	0.6
56.49061	0.4
57.37594	0.5
59.01371	0.6
60.62845	0.4
61.98818	3.1
63.68361	0.4
66.54050	0.4
69.21315	3.0
69.21625	0.5
73.76659	0.4
94.94997	0.4
107.04884	0.5
139.64606	0.5
140.02008	3.7
167.45180	0.5
179.90892	0.5
181.95280	1.2
184.01013	100.0
185.01166	8.1
326.02103	1.7
335.18652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49712	1.1
58.00597	2.2
58.86681	1.1
59.01376	100.0
60.01700	2.0
64.23299	1.3
64.73309	1.2
71.01379	60.7
72.99297	1.9
83.01380	2.2
85.02953	8.9
87.00880	3.0
89.02444	80.5
95.01401	3.8
98.31782	1.3
101.02438	25.7
104.15731	1.2
108.30536	1.2
112.72127	1.2
113.02453	25.5
119.03502	26.7
131.03516	2.5
134.06140	2.6
143.03487	6.2
144.87204	1.3
148.07678	3.5
149.04536	2.8
153.99066	1.3
157.91431	1.5
161.02448	1.5
161.04538	6.4
164.07156	10.7
179.05586	14.1
179.08786	1.4
192.00598	9.1
193.01378	3.0
194.02209	2.2
206.08215	2.5
207.02928	4.0
234.01692	4.1
312.04892	4.0
327.07266	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	327.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20769	1.2
69.33070	1.2
69.33864	5.3
69.34273	2.7
123.54602	1.3
124.01644	2.5
125.02454	6.7
134.03687	1.8
136.01634	3.4
138.03207	2.9
142.44653	1.3
149.02470	1.9
149.99617	1.6
152.01181	1.9
161.02417	8.7
162.03215	8.3
164.01147	10.9
165.01877	1.6
166.02708	10.8
167.03470	1.4
168.00581	1.4
177.01904	4.4
178.02719	3.5
178.99883	2.7
180.00708	2.4
189.01886	2.1
190.02699	15.7
191.03232	2.2
192.00642	100.0
193.01404	45.7
194.02174	39.9
194.99367	1.8
195.02544	2.8
205.01395	12.9
206.02158	12.2
207.02974	50.3
208.03310	2.8
209.04546	2.0
221.00914	3.7
222.01689	14.6
223.02356	1.6
233.01033	1.7
234.01674	45.8
235.02138	3.8
237.04030	9.3
238.15878	1.5
249.01451	2.0
249.04021	27.3
250.04398	2.2
294.03888	1.3
312.04837	39.5
313.05115	2.2
327.07169	47.3
328.07587	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	327.0719
Annotation	BERGENIN
Peak:m/z	Relative Intensity
68.93868	0.9
70.78477	0.9
76.10751	1.0
80.29133	0.9
98.21852	1.9
124.01666	1.8
124.32695	1.0
125.02467	5.1
133.02966	1.3
136.01666	2.4
138.03268	2.3
139.15410	0.9
148.01646	1.5
149.02412	1.7
150.03194	1.9
151.04091	1.3
152.01125	1.7
161.02438	7.7
162.03227	7.0
164.01149	10.3
166.02705	8.3
168.00630	1.3
177.01903	5.4
178.02754	5.0
178.99860	2.4
180.00679	1.3
181.16037	1.0
186.53729	1.0
189.01973	2.5
190.02728	13.9
191.03432	1.3
192.00639	100.0
193.01401	41.5
194.02197	33.9
205.01393	11.6
206.02174	13.5
207.02968	30.0
208.03523	1.2
209.00862	1.0
209.04578	2.3
221.00887	5.2
222.01698	10.9
234.01697	44.2
235.02174	1.4
237.04091	8.2
249.03993	19.9
294.03662	1.1
296.93039	1.1
312.04868	29.1
313.05182	1.2
327.03333	2.3
327.07208	32.8
328.07715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80110	1.0
59.01381	6.6
69.10284	4.0
69.10696	1.8
71.01374	3.7
73.81457	1.1
74.99093	5.0
75.69363	1.0
87.00871	1.9
89.02425	2.0
95.01390	1.5
101.02461	1.7
108.02157	1.1
109.02974	1.5
111.00885	1.2
113.02475	1.6
115.00356	2.1
119.05012	2.3
123.00872	1.3
124.01633	1.5
125.02422	5.4
133.02957	2.5
134.03671	1.6
136.01639	1.6
137.02415	1.2
138.03223	3.7
149.02428	1.9
152.01144	2.8
161.02469	7.0
162.03236	7.6
163.03978	1.1
164.01128	9.7
165.01932	1.9
165.05540	1.8
166.02713	9.8
168.00609	1.5
175.02446	3.5
175.03871	1.2
177.01906	5.4
178.02687	4.2
178.99884	1.8
180.00572	1.6
183.02888	1.1
189.01862	3.4
190.02701	15.8
192.00630	100.0
193.01387	54.0
193.04990	1.0
194.02188	33.2
195.02655	2.2
205.01395	14.7
205.05066	1.1
206.02167	15.4
207.02968	52.5
208.03293	4.0
209.04523	4.5
220.03703	1.8
221.00908	5.9
222.01622	11.4
225.03842	1.2
233.00885	1.2
234.01680	49.5
235.02061	3.2
237.00343	1.4
237.04088	12.4
249.04004	31.4
250.04346	1.6
294.03687	1.6
312.04837	37.1
313.05035	1.8
327.07169	61.2
328.07440	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	327.0719
Annotation	BERGENIN
Peak:m/z	Relative Intensity
54.80110	1.0
59.01381	6.6
69.10284	4.0
69.10696	1.8
71.01374	3.7
73.81457	1.1
74.99093	5.0
75.69363	1.0
87.00871	1.9
89.02425	2.0
95.01390	1.5
101.02461	1.7
108.02157	1.1
109.02974	1.5
111.00885	1.2
113.02475	1.6
115.00356	2.1
119.05012	2.3
123.00872	1.3
124.01633	1.5
125.02422	5.4
133.02957	2.5
134.03671	1.6
136.01639	1.6
137.02415	1.2
138.03223	3.7
149.02428	1.9
152.01144	2.8
161.02469	7.0
162.03236	7.6
163.03978	1.1
164.01128	9.7
165.01932	1.9
165.05540	1.8
166.02713	9.8
168.00609	1.5
175.02446	3.5
175.03871	1.2
177.01906	5.4
178.02687	4.2
178.99884	1.8
180.00572	1.6
183.02888	1.1
189.01862	3.4
190.02701	15.8
192.00630	100.0
193.01387	54.0
193.04990	1.0
194.02188	33.2
195.02655	2.2
205.01395	14.7
205.05066	1.1
206.02167	15.4
207.02968	52.5
208.03293	4.0
209.04523	4.5
220.03703	1.8
221.00908	5.9
222.01622	11.4
225.03842	1.2
233.00885	1.2
234.01680	49.5
235.02061	3.2
237.00343	1.4
237.04088	12.4
249.04004	31.4
250.04346	1.6
294.03687	1.6
312.04837	37.1
313.05035	1.8
327.07169	61.2
328.07440	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.37359	0.4
57.03447	0.8
58.00590	1.7
59.01168	0.3
59.01383	3.7
61.98779	0.5
68.24831	0.5
73.02935	0.6
87.04511	0.6
97.06586	1.8
109.06582	0.6
111.08158	6.5
112.08473	0.5
127.07642	1.0
132.52644	0.4
153.09230	0.7
153.12804	0.9
169.12328	5.6
171.10243	0.5
181.12347	2.0
190.02663	0.4
192.00612	1.5
193.01416	0.6
193.12299	0.7
194.01971	0.5
195.13803	0.5
197.11819	39.9
198.12164	1.7
199.13385	7.2
207.02917	0.6
211.13400	4.8
212.13588	0.4
221.11758	0.6
227.12901	1.1
229.14496	0.8
234.01625	0.9
239.16530	5.6
249.03934	0.4
291.19571	3.4
309.20685	2.0
327.21741	100.0
328.22113	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.84366	1.4
59.01374	2.0
63.71596	1.7
69.08817	10.1
73.02944	3.9
79.64259	1.4
89.56644	1.3
92.49721	1.3
99.08132	2.9
111.08150	1.6
113.09718	2.1
115.07634	3.0
127.07633	2.6
127.11349	1.6
129.09212	32.6
141.09218	14.2
155.10762	16.7
171.10240	13.9
176.49963	1.7
185.11827	45.8
186.12222	2.1
192.00674	3.9
197.11816	37.1
198.12170	2.3
207.02983	3.6
209.11821	7.2
249.92957	1.4
291.19583	11.8
309.20645	26.1
310.21188	2.5
312.04825	1.9
327.21729	100.0
328.22083	9.7
345.19070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03445	1.6
69.03481	1.5
71.01382	1.5
83.05038	1.1
83.26118	0.7
85.02943	7.7
87.92622	0.6
95.04991	1.1
97.06592	4.8
105.05409	0.7
110.03761	0.8
125.09719	1.3
127.11304	1.4
165.12825	1.3
167.14442	1.0
171.10274	13.8
177.12822	1.7
183.13803	3.9
184.14224	0.9
185.11832	1.8
193.12366	1.2
197.11787	1.3
209.11880	1.5
211.13374	23.9
212.13751	1.5
221.11818	3.3
227.02733	0.8
229.14465	14.2
239.13029	1.7
245.92697	0.7
283.70959	0.7
291.19714	2.8
297.98508	0.8
309.20847	0.9
327.21750	100.0
328.22031	8.6
333.25137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92749	0.4
58.00589	1.7
59.01377	4.1
59.48542	0.4
60.25245	0.5
61.41048	0.4
81.03522	0.5
87.04494	0.6
97.06593	2.8
104.04972	0.5
111.08144	8.7
116.28511	0.5
127.07674	1.4
153.12857	0.7
169.12367	5.2
171.10242	0.7
181.12334	2.6
192.00682	1.1
193.12404	0.8
197.11819	42.3
198.12212	2.7
199.13354	6.7
207.03029	0.6
211.13365	5.4
221.11893	0.7
227.12910	1.1
229.14397	0.9
231.65741	0.5
239.12802	0.8
239.16516	4.7
263.20120	0.5
291.19623	3.4
309.20624	2.8
327.21747	100.0
328.22110	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.89078	0.6
63.39154	0.6
69.70706	1.9
162.83923	1.7
185.13972	0.7
192.00742	1.1
193.01366	0.8
267.26932	1.2
278.60129	0.7
281.28470	1.2
302.20490	0.7
304.71295	0.7
327.07156	0.7
327.18219	2.1
327.29016	100.0
328.29266	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	329.0303
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
52.32371	0.4
59.01361	0.4
69.15033	1.3
69.15438	0.7
87.27633	0.4
88.79819	0.4
146.64058	0.4
171.00885	0.6
187.00319	0.5
197.07265	0.4
199.00279	0.7
202.99719	0.4
214.99875	2.1
242.99306	9.9
243.99805	0.5
258.01651	1.0
270.98825	96.6
271.99176	6.9
283.99542	1.1
285.00244	1.8
286.01068	1.0
298.98322	99.1
299.98639	8.3
312.99908	3.5
314.00674	100.0
315.01001	7.7
329.03009	74.0
329.99734	0.7
330.03363	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03452	0.5
59.01383	0.9
65.00337	0.7
65.06557	0.2
65.94147	0.2
69.26010	1.2
80.02671	0.2
81.03456	4.8
83.01388	2.6
95.05032	0.7
107.01390	0.7
107.25893	0.2
123.04525	29.6
124.04852	1.1
125.02449	6.0
125.03427	0.3
126.02785	0.3
130.90288	0.2
132.04570	0.8
135.04523	0.3
139.03999	0.3
149.02455	0.8
151.00333	1.6
153.06685	0.5
163.03934	0.3
166.07291	0.2
167.03494	100.0
168.03819	4.5
183.02959	0.3
191.03470	0.6
197.05682	0.9
209.04532	1.1
212.39288	0.2
297.71692	0.2
329.08868	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03437	0.6
59.01371	1.1
60.42576	0.3
65.00318	0.3
67.01881	0.2
69.42162	1.1
71.01372	0.3
81.03455	4.1
83.01385	2.3
85.02948	0.5
93.03456	0.7
95.05024	0.9
97.02919	0.5
99.04529	0.3
107.01402	0.4
109.02988	0.3
111.10836	0.3
121.02960	0.3
123.04524	33.5
124.04835	1.0
125.02441	4.1
135.04523	1.1
137.02415	1.1
139.04036	0.7
149.02429	0.9
151.00333	1.1
151.04008	1.0
163.00400	0.5
163.04068	1.3
165.05548	0.3
166.02696	0.5
167.03491	100.0
168.03839	4.3
175.00278	0.9
179.03474	0.7
180.04263	0.4
181.05064	2.9
191.03493	23.9
192.03934	1.3
193.04933	0.4
209.04527	9.4
210.04854	0.5
221.04539	2.9
233.04500	0.4
269.06757	0.4
329.08643	6.0
329.12030	0.5
330.09161	0.3
344.41348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1143
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.01207	0.5
69.12001	1.6
69.12425	2.3
82.03007	3.9
82.03421	0.5
96.26668	0.6
106.06628	6.6
108.04573	1.1
110.02494	0.7
119.05090	1.0
122.06081	2.7
128.33923	0.6
132.04552	23.2
133.05339	22.6
134.06123	31.9
135.06511	1.4
136.04021	1.1
148.04086	0.6
149.04845	1.3
160.02063	0.6
160.04030	16.8
161.04817	62.9
162.05600	78.2
163.03983	0.7
163.05937	3.9
164.07175	0.6
176.03519	1.2
193.03796	19.8
194.04181	1.4
210.05627	0.7
212.07199	5.4
213.07898	2.5
214.08728	4.2
226.08760	2.2
240.10391	0.9
241.06184	5.6
242.06584	0.9
242.11819	4.7
243.11284	3.7
252.06427	0.6
254.06995	0.8
255.07623	1.1
257.09314	9.7
259.70016	0.6
267.11267	1.0
268.09683	2.9
269.09338	6.5
285.12427	65.9
286.12720	4.9
311.10364	10.0
312.10434	0.8
329.11401	100.0
330.11703	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49459	0.6
59.01377	100.0
59.54425	0.6
60.01698	1.3
61.43367	0.6
64.13248	0.7
71.01378	5.1
73.02959	2.0
78.06687	0.7
85.02961	2.6
89.02447	0.9
93.03481	0.9
95.01394	0.8
99.00852	0.8
101.02436	3.9
109.02995	0.9
113.02436	1.7
123.04539	1.0
125.02458	2.7
140.28535	0.8
151.00365	0.9
161.04591	4.1
167.03479	21.1
168.03908	1.0
173.04530	0.8
191.05679	2.1
195.18771	0.7
225.09276	0.7
240.86748	0.8
269.10272	4.8
285.04031	2.0
286.11066	0.8
329.03079	1.5
329.08817	3.5
329.12122	1.6
330.09460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
52.85188	0.8
57.03446	0.7
69.25964	0.6
76.69919	0.7
83.05016	0.8
85.81851	0.7
97.06580	0.7
97.41230	0.7
99.08157	5.7
100.61893	0.9
121.28175	0.7
127.11265	2.1
136.08127	0.7
139.11288	2.6
149.70061	0.8
165.12888	0.9
167.14346	1.8
170.39429	0.8
171.10278	6.6
177.79720	0.7
183.13921	7.0
193.12337	1.5
196.27055	0.8
209.11716	0.7
211.13397	34.2
212.13722	1.9
229.14433	17.8
230.14703	1.4
249.12981	0.8
289.54483	0.9
293.21268	0.9
311.22427	1.1
329.23312	100.0
330.23636	9.9
346.94284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
54.42619	0.3
58.00575	1.3
59.01380	3.0
83.05006	0.6
97.06571	0.6
98.21913	1.1
99.07550	0.5
99.08155	7.5
113.09711	0.5
121.02930	0.5
127.07629	1.1
129.09209	6.8
155.10759	0.7
155.14432	0.4
167.10814	0.4
167.14299	0.5
169.12332	4.5
181.12326	5.2
183.13933	1.8
193.12323	1.9
197.11882	2.2
199.13399	18.6
200.13713	1.1
211.13388	13.1
212.13768	1.0
225.71016	0.4
227.12892	0.6
228.74918	0.4
229.14410	1.5
234.50616	0.4
266.96619	0.4
269.89493	0.4
275.20190	1.0
293.21173	3.5
294.21497	0.5
311.22308	2.4
329.23306	100.0
330.23633	9.0
354.38498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62693	0.6
55.65051	0.6
58.00581	2.0
59.01382	4.5
59.37124	0.6
67.06056	0.6
95.04220	0.5
99.08154	7.7
109.37599	0.7
127.07738	0.8
129.09212	9.2
153.12851	0.7
169.12315	5.9
178.49216	0.7
181.12331	4.6
183.13998	1.5
193.12331	2.0
197.11874	2.3
199.13383	21.0
200.13728	0.7
211.13403	10.3
212.13756	1.5
227.12865	1.4
293.21210	2.4
311.22345	2.2
329.23300	100.0
330.23593	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	331.0458
Annotation	Corynesidone B
Peak:m/z	Relative Intensity
58.37689	0.4
59.13889	0.4
59.80201	0.4
60.46635	0.5
63.04895	0.4
64.14722	0.4
67.01898	0.5
70.06794	0.4
74.83742	0.4
77.03986	0.5
79.01905	0.5
93.03454	5.0
97.02947	1.4
98.22707	1.0
104.16978	0.5
105.03468	1.5
105.52950	0.4
108.02167	1.1
109.02950	100.0
110.03270	3.7
121.02957	27.8
121.21924	0.5
122.03288	0.6
127.83781	0.6
133.02963	1.8
145.02951	3.4
149.02432	1.3
161.02455	0.9
163.04016	10.3
165.01929	23.9
166.02196	1.1
177.01920	8.0
178.02570	0.7
189.01926	7.0
219.62024	0.5
243.06639	1.5
269.04620	0.5
287.05603	29.3
288.05911	3.1
331.04529	12.1
332.05029	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	331.0667
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.46627	0.1
55.01839	0.2
57.03413	0.1
58.00555	0.1
59.01374	8.1
60.01675	0.1
65.00282	0.3
67.01843	0.3
68.99782	0.1
69.03412	0.3
70.59392	0.1
71.01378	3.9
72.99261	0.2
73.02895	0.2
78.01089	0.2
79.01865	0.3
81.03452	0.5
81.61179	0.1
82.00594	0.4
83.01348	0.4
85.02950	0.8
86.00054	0.3
87.00838	0.1
89.02443	1.6
93.03416	0.1
95.01376	0.6
95.22413	0.1
96.99327	0.1
97.02952	0.4
98.48018	0.1
99.00839	0.2
101.01903	0.1
101.02445	1.1
107.01385	4.4
108.02197	1.3
109.02334	0.1
109.02953	1.4
110.00073	0.3
111.00880	1.6
111.04512	0.1
113.02453	0.6
119.03506	0.4
121.02913	0.3
123.00871	2.6
123.04504	0.3
124.01653	15.2
125.02445	28.1
125.10579	0.1
126.02753	0.9
127.00368	0.8
133.02953	0.3
135.04500	0.2
136.98799	1.0
137.02425	0.4
138.03282	0.1
139.00372	1.8
139.04008	0.8
140.01154	2.3
141.01881	0.3
149.02417	0.3
149.99486	0.1
151.00365	1.4
151.04001	0.5
152.00862	0.1
153.01909	0.2
154.99860	0.3
155.03506	0.3
161.02435	0.8
161.04497	0.5
165.01924	0.9
167.03497	1.5
168.00635	15.1
169.01414	37.9
170.01752	1.4
177.01930	0.3
181.01425	0.1
182.02145	0.1
183.02931	1.0
192.00575	0.1
193.01399	0.2
211.02464	58.9
212.02808	2.6
226.09488	0.1
237.59113	0.1
241.03528	2.8
245.04477	0.4
253.03487	0.1
256.44223	0.1
269.04654	0.2
271.04575	100.0
272.04907	6.0
272.07938	0.2
287.11209	0.2
287.34094	0.1
295.04504	0.2
308.36176	0.1
313.05713	0.2
331.07053	4.8
332.07321	0.3
344.43869	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	331.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38389	0.5
51.04185	0.6
52.54933	0.6
59.01379	6.5
69.03455	2.3
69.07758	3.6
69.08110	0.7
71.01373	3.1
79.01886	1.3
81.03469	1.9
83.01379	1.4
85.02948	0.9
89.02425	1.0
95.01382	1.4
97.02948	2.6
101.02457	2.0
106.18964	0.6
107.01404	2.4
108.02177	23.2
109.03011	4.5
113.02446	1.7
121.02952	0.9
123.00902	3.8
123.04540	0.7
124.01672	15.5
125.02448	83.1
126.02765	2.8
136.19756	0.5
137.02489	0.7
138.72049	0.6
139.00436	0.6
139.03993	0.7
149.99583	21.3
151.00273	2.5
151.03999	1.5
161.04552	4.8
163.04039	0.5
167.03442	1.3
168.00633	46.7
169.01427	50.3
170.01753	1.4
211.02449	2.0
241.03586	1.9
254.67883	0.5
271.04639	1.7
271.08218	2.2
313.05637	4.4
331.06696	100.0
332.07016	6.9
337.51892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0676
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01380	24.1
71.01379	10.7
71.14133	1.0
72.93214	1.0
73.02933	3.8
85.02956	3.9
89.02441	1.3
90.17480	0.9
95.01367	1.3
97.55106	1.0
99.00922	1.3
101.02439	7.6
105.92314	1.0
108.02172	100.0
109.02989	18.9
113.02451	5.0
121.02940	1.4
123.04506	2.1
125.02432	5.9
133.02983	1.7
141.60670	1.0
143.03500	1.4
151.03976	4.7
159.02998	2.3
161.04567	22.8
163.04070	2.3
168.00710	2.0
169.01433	8.8
172.21492	1.0
195.07272	0.9
271.05569	1.2
271.08139	7.8
324.06149	1.1
331.06674	5.4
342.47284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03445	3.0
69.66281	2.8
69.66664	1.3
71.01397	0.9
79.01901	1.7
81.03444	1.4
83.01376	1.8
95.01380	1.0
97.02944	3.0
107.01395	1.7
108.02178	2.5
109.02967	0.8
113.44383	0.8
123.00877	3.7
124.01650	19.3
125.02445	89.2
126.02768	2.4
140.62801	0.9
149.99585	33.2
151.00294	2.5
167.03510	2.0
168.00636	94.2
169.01401	14.4
231.51915	0.7
277.65891	0.7
313.05646	11.4
314.05902	0.9
331.06680	100.0
332.06985	6.5
350.91388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.6
69.42479	5.5
71.01378	13.4
71.31376	1.4
73.02941	4.5
78.04901	1.4
85.02930	3.6
98.21901	1.5
101.02427	7.1
103.05014	1.4
108.02173	100.0
109.02991	25.2
113.02436	8.0
123.04559	1.9
124.01667	2.8
125.02444	23.3
133.02924	1.5
145.64120	1.4
146.94800	1.4
151.03996	5.9
151.50435	1.4
159.02942	2.7
161.03220	1.7
161.04555	28.2
163.03996	2.2
168.00574	4.0
169.01422	37.5
271.05292	2.7
271.08170	18.1
331.06631	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	331.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28331	0.5
58.01532	0.4
59.01379	4.2
71.01375	1.3
73.02937	0.5
74.78322	0.4
80.05054	14.6
93.58060	0.5
94.06625	1.4
95.05006	0.7
101.02466	1.2
106.06627	1.7
107.03777	4.1
108.02168	9.7
109.02968	2.6
113.02480	0.6
119.56946	0.4
120.04544	0.8
122.06117	100.0
123.06461	2.9
124.04029	0.6
124.07671	0.6
125.02444	1.8
134.02750	0.5
134.06129	6.5
139.02750	0.5
143.03464	0.5
147.93980	0.4
151.03961	0.7
152.07167	47.3
153.07515	1.7
161.04546	2.8
166.05092	10.9
168.00729	1.1
169.01387	1.4
172.05255	0.4
178.05087	4.3
179.05435	0.5
213.10260	0.5
245.13014	0.5
269.08499	0.6
271.08221	1.5
271.10892	0.7
287.13916	2.9
289.11990	0.4
315.98685	2.3
331.00952	1.5
331.06570	2.2
331.12967	64.8
332.13348	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	333.0614
Annotation	Diosalol
Peak:m/z	Relative Intensity
59.01368	2.2
69.34657	3.9
69.55399	0.8
71.01379	20.1
77.03954	1.0
81.03456	4.0
89.02487	0.9
91.05495	2.2
93.03448	2.4
95.01393	1.5
95.05008	1.5
97.02942	3.3
101.02449	1.0
105.03466	2.5
107.05027	21.6
108.02158	2.4
108.05349	0.9
109.02950	100.0
110.03291	1.9
113.02442	1.1
119.20339	0.9
121.02917	2.5
122.06078	1.6
123.00890	1.3
123.04524	27.4
124.04817	1.2
133.02942	3.6
133.45010	0.8
135.04523	47.6
136.01688	4.4
136.04836	2.8
143.03513	1.0
145.02946	3.1
146.03670	1.1
147.04549	1.1
149.02458	6.3
151.04004	8.1
161.02440	79.3
162.02820	3.8
163.04015	3.3
167.03448	1.6
169.01378	4.7
173.06078	1.4
179.03467	16.3
189.01920	3.9
202.08812	1.1
211.02466	21.3
211.04295	1.8
212.02905	1.1
223.02473	81.8
224.02847	4.4
227.07103	3.1
228.10300	2.4
245.08369	1.4
256.08496	2.0
271.10831	10.3
272.11273	1.7
297.08844	2.4
315.09769	1.8
333.06155	36.0
333.10461	2.0
333.15314	1.0
333.19348	1.1
334.06549	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.7
61.98819	0.9
69.15112	1.8
69.15520	1.7
71.01376	1.4
78.03490	1.1
80.05058	1.1
85.02943	0.6
92.05067	3.1
94.06633	4.1
98.22623	1.0
101.02406	1.4
104.05054	2.5
105.03462	1.5
106.06617	12.1
107.03751	1.4
107.06944	0.8
108.04573	1.4
113.02447	0.9
120.04555	5.1
121.05323	1.0
122.02502	0.6
122.06108	15.4
122.06930	1.1
123.03267	2.3
124.07680	1.6
131.03755	1.0
132.04543	8.9
138.05606	23.4
139.06007	0.8
148.03983	0.9
150.05609	3.6
150.06631	0.6
154.55650	0.6
164.03552	0.8
166.05090	1.0
189.07930	1.3
200.05716	0.6
214.99884	0.7
215.11867	2.1
217.07506	1.6
227.11891	0.7
229.09700	0.9
231.08948	0.9
231.11372	1.0
241.09804	3.2
243.11377	1.7
268.52859	0.6
271.10800	1.4
286.98196	0.7
289.11929	100.0
290.12268	8.0
314.97696	1.4
333.10892	10.8
333.14780	0.4
333.19373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16718	1.6
59.01379	48.1
62.23466	1.4
66.29065	1.5
69.31949	9.5
69.36308	1.6
71.01379	4.5
78.13550	1.5
89.02495	2.7
99.48505	1.6
108.53687	1.5
137.09717	12.0
155.10786	100.0
156.11159	4.5
169.01422	2.5
171.10263	25.8
172.10667	2.2
181.08730	5.7
199.09758	20.5
204.72258	1.7
217.10786	34.0
217.71539	1.7
230.99274	2.2
261.00391	2.6
273.13412	27.9
275.02356	1.7
286.98413	2.2
291.14499	90.3
292.14920	6.6
310.27432	1.8
314.97900	7.2
328.00571	1.8
328.04410	1.7
333.15540	53.4
333.19077	3.3
334.15967	3.3
354.51111	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	333.207
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
52.72597	0.7
59.01368	0.7
61.45436	0.6
77.59158	0.7
109.02957	1.4
110.03732	3.3
125.02451	1.5
133.55106	0.7
137.02438	2.9
138.03246	7.3
151.04041	1.3
166.02765	3.8
179.03491	9.5
180.04230	2.7
193.05060	4.5
198.01720	1.3
206.67580	0.7
236.10495	1.5
305.21140	6.1
333.20709	100.0
334.21033	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	334.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.2
60.01702	3.5
61.01799	5.0
61.98829	100.0
66.35982	1.2
71.01377	14.4
71.42982	1.7
72.01725	3.1
73.01820	1.8
73.02945	2.3
85.02944	4.8
89.02439	5.6
101.02432	5.4
102.02814	1.6
102.71507	1.5
103.02848	1.6
108.02174	44.5
109.02419	30.7
109.03122	1.6
110.02601	12.0
110.03303	5.7
111.02943	5.4
112.04068	7.9
113.02448	4.1
114.02748	3.2
115.02899	2.4
119.03513	3.3
125.02441	2.1
126.02732	2.3
136.04015	2.4
137.22255	1.5
139.01875	1.4
151.04001	2.4
152.04419	1.9
153.04399	1.8
156.73029	1.6
161.03381	1.6
161.04498	7.7
162.04901	6.0
163.05032	7.5
164.05377	3.7
272.08472	1.5
273.08615	3.5
274.08948	10.4
334.07596	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	334.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80156	16.3
52.00875	15.0
59.01376	100.0
69.82394	42.1
71.01370	48.1
89.02473	74.0
113.02401	17.9
119.03511	24.2
131.30846	13.2
179.05530	19.6
301.25720	18.7
320.93167	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	334.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	79.0
69.16147	86.8
71.01378	62.8
89.02457	100.0
101.02451	24.0
113.02415	22.7
119.03500	30.7
134.64838	14.4
146.15398	14.5
161.04622	27.2
179.05641	35.6
224.15796	16.7
239.00719	15.2
250.01033	18.1
263.15591	13.9
274.83838	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	335.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10389	0.2
59.01348	0.4
61.98805	0.2
65.00305	0.2
69.37003	1.2
71.01389	0.3
83.01359	0.3
98.62812	0.3
105.22990	0.3
111.00880	1.3
115.45604	0.2
124.01656	12.5
125.02029	0.2
125.76257	0.2
127.00365	0.6
136.98796	0.6
139.00391	1.6
140.01132	2.0
154.99919	0.3
168.00633	6.1
173.78516	0.2
183.02975	100.0
184.03310	4.3
335.04135	1.0
335.17264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
59.77071	0.2
61.98803	0.6
64.53347	0.2
69.77955	0.5
69.78313	0.5
71.01367	0.8
82.00616	0.3
89.02446	0.6
93.74215	0.2
101.02438	0.5
106.92198	0.2
111.00867	1.4
113.02427	0.3
119.03531	0.3
119.04945	0.3
123.00871	0.4
124.01653	11.0
125.01944	0.2
127.00343	0.4
136.98825	0.9
139.00372	1.3
139.14993	0.2
140.01164	2.2
154.99876	0.4
168.00635	5.4
169.01022	0.3
183.02971	100.0
184.03319	3.8
227.36870	0.3
299.78317	0.2
335.04135	0.9
335.16992	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	335.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57852	0.7
59.01376	92.1
59.76400	0.8
60.01712	0.8
60.11867	0.7
67.89618	0.8
69.47212	0.8
71.01379	39.5
71.43862	0.9
72.99303	0.8
73.02934	2.4
83.01365	1.8
85.02943	7.6
87.00911	0.9
89.02441	43.7
95.01392	3.3
101.02446	30.3
113.02454	14.9
115.05949	0.8
119.03498	20.2
131.03499	1.6
143.03517	2.5
155.07130	3.5
161.04524	1.5
173.08217	2.5
179.05608	3.2
191.05577	1.9
275.00974	1.4
335.13461	100.0
336.13745	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	336.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68419	0.4
59.01377	2.1
61.98829	100.0
71.01385	0.8
71.31082	0.4
73.02967	0.4
77.85277	0.3
81.88107	0.4
85.02987	0.6
89.02422	0.4
101.02437	0.4
102.02841	0.4
115.00416	0.4
146.97556	0.4
156.29395	0.3
173.11865	0.8
174.12157	0.8
175.02467	0.7
191.05679	1.3
215.27275	0.4
335.17075	0.7
336.04465	0.5
336.17416	4.7
337.07925	0.6
337.17194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53821	0.4
57.03441	0.7
59.01382	7.3
67.01874	1.6
68.99822	0.5
69.03480	0.4
69.25268	2.3
71.01379	6.5
72.99323	2.0
73.02940	1.0
75.00851	0.8
81.03467	0.7
82.20551	0.5
83.01386	6.7
85.02957	3.7
87.00876	11.6
87.39693	0.4
89.02434	0.8
93.03453	8.1
97.02982	0.4
98.22649	0.8
99.00879	12.3
101.02435	1.6
105.07072	0.4
106.04249	0.4
107.05031	1.2
108.02182	1.4
109.02958	14.7
111.00882	1.4
111.04529	1.3
113.02471	1.1
115.00377	20.1
119.05037	3.1
121.02969	1.0
121.06591	4.0
122.11543	0.4
123.00927	0.5
123.04527	1.3
125.02474	1.3
126.61156	0.5
127.00365	2.1
129.01926	0.7
131.05031	0.4
133.02954	9.3
134.03818	0.7
135.04523	6.2
137.02460	0.5
138.01965	4.6
138.05600	0.7
139.00403	1.9
139.02322	1.3
139.03983	0.6
143.05077	0.5
145.02937	3.6
146.03709	1.3
147.04536	8.5
148.05324	5.8
149.06081	100.0
150.03224	1.8
150.06390	4.9
151.03979	0.6
153.01935	1.2
157.01448	0.9
159.02983	1.6
159.04530	1.8
160.01764	0.4
161.02444	29.5
161.06044	3.4
162.02977	1.1
163.04028	7.2
165.01962	0.5
165.05551	4.1
171.04498	0.9
173.04549	2.3
173.05968	0.7
174.03142	2.1
175.02477	12.5
175.04016	16.0
176.04515	1.0
177.01933	21.0
177.05492	3.3
178.02347	0.9
179.03543	2.7
182.33159	0.4
183.02986	0.9
185.06064	0.5
187.04057	1.6
188.04761	1.4
189.05554	5.8
190.02759	0.6
191.03586	2.8
191.05608	28.4
192.04300	0.6
192.05927	0.9
193.05057	12.8
194.05408	0.6
199.89595	0.4
201.05603	0.6
203.03535	1.2
203.07143	0.7
205.05104	3.3
206.02211	3.5
209.04585	0.7
213.05476	0.5
215.03488	0.9
219.02986	29.5
219.06564	1.3
220.03311	2.3
221.04616	0.8
227.01987	1.0
231.03001	0.5
231.06633	2.1
233.02213	0.9
233.04541	17.8
234.04846	0.8
237.04041	51.7
238.04356	3.4
247.06082	0.6
249.07744	4.6
255.05066	1.0
263.05670	0.6
275.05637	2.4
277.03519	10.3
278.03806	0.8
279.05444	0.7
293.06650	8.3
305.53247	0.5
319.04593	3.9
337.05493	11.1
337.14880	0.6
338.06131	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50193	0.4
53.80106	0.5
55.01867	0.7
57.03470	0.7
59.01375	6.8
60.05772	0.4
60.99305	0.6
67.01884	2.1
68.99818	0.8
69.03443	1.2
69.25738	0.9
69.26139	1.4
71.01381	6.9
72.99304	1.6
73.02927	1.7
75.00874	1.5
81.03452	0.5
83.01385	6.2
85.02948	4.5
87.00876	12.0
87.01383	1.0
89.02436	0.6
93.02857	0.7
93.03452	13.7
94.03812	0.4
95.05019	0.6
97.61961	0.4
99.00876	10.6
101.02435	1.3
106.04241	0.5
107.05061	0.5
108.02208	1.3
109.02945	14.0
110.03251	0.7
111.00872	0.8
111.04520	2.2
113.02464	1.2
114.99543	1.0
115.00368	19.5
119.05019	5.7
121.02959	1.3
121.06584	4.5
122.03740	0.9
123.04536	0.7
124.01605	0.5
125.02429	1.3
127.00364	1.3
127.04048	0.9
131.05003	1.0
133.02953	10.1
134.03764	0.6
135.04527	6.3
137.06081	0.6
138.01984	2.4
139.00351	0.7
139.02257	0.9
145.02948	4.7
146.03731	0.7
147.04512	9.3
148.05304	4.9
149.06075	100.0
150.03230	1.9
150.06407	5.0
152.77869	0.4
153.01924	1.0
157.01381	0.8
159.02983	2.1
159.04500	2.1
161.02437	30.7
161.06068	2.5
162.02872	1.8
163.03999	8.9
165.05547	4.8
171.04498	0.7
173.04558	4.8
174.03174	2.2
175.02466	11.2
175.04001	16.3
175.09761	1.2
176.04539	1.4
177.01915	20.1
177.05438	2.6
178.02383	0.8
179.03511	2.1
183.02986	0.8
187.04028	1.6
188.04718	0.9
189.05559	5.6
190.05980	0.5
191.03636	2.5
191.05600	55.1
192.04329	0.7
192.06006	1.5
193.05026	12.0
194.05360	0.5
201.05527	0.9
203.03551	1.0
203.07143	0.8
205.05029	3.4
206.02191	3.9
209.04515	0.8
215.03497	1.1
217.05066	0.5
219.02965	28.9
219.06445	1.1
220.03377	1.7
229.05074	0.7
231.06619	2.1
233.04529	17.1
234.04898	1.3
237.04031	51.2
238.04366	3.4
249.07657	3.7
261.44797	0.5
275.05560	2.0
277.03482	8.6
278.03784	0.6
293.06613	7.9
294.07050	0.8
298.80692	0.5
319.04712	3.1
337.05615	10.2
337.09329	2.1
338.05963	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	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01888	0.7
57.02507	0.6
57.03438	0.9
57.90194	0.6
59.01379	4.2
67.15163	0.5
68.99813	2.0
69.03438	0.9
69.85175	1.9
71.01373	6.2
73.02937	1.8
75.00865	1.8
77.19828	0.5
83.01376	1.7
85.02950	8.6
87.00889	3.7
89.02418	2.7
95.01384	1.2
97.02962	1.0
99.00872	5.8
101.02431	2.9
108.94749	0.6
111.00886	2.6
112.98773	0.8
113.02458	6.5
113.98816	1.2
113.99583	16.0
115.00373	10.3
119.03474	0.9
127.00356	3.2
129.01921	2.6
133.01428	1.9
145.01443	5.1
157.01431	5.6
169.01408	1.6
174.01675	17.6
175.02458	4.8
191.05602	5.7
193.01610	0.7
213.55693	0.6
250.66718	0.7
277.05609	17.5
302.01648	0.6
310.83575	0.6
337.07742	100.0
338.08154	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03429	1.0
59.01374	13.6
61.98833	0.8
68.98808	0.5
68.99816	2.6
71.01384	8.0
73.02953	2.9
75.00868	1.3
83.01386	2.3
85.02949	11.8
87.00880	3.8
87.89019	0.5
89.02435	3.7
93.91087	0.6
95.01394	1.8
99.00868	4.6
101.02444	6.8
107.05107	0.5
111.00877	1.9
111.78506	0.5
113.02430	7.3
113.99586	16.5
115.00378	10.9
119.03513	1.2
125.02382	0.8
127.00357	4.6
129.01933	2.4
139.00294	1.0
141.01906	0.7
143.03470	0.6
157.01425	4.7
159.02919	0.8
161.04587	2.3
163.03998	0.6
169.01418	1.7
174.01686	17.8
175.02461	10.7
175.06117	1.9
179.05557	0.6
232.02776	0.6
235.08150	0.8
271.63498	0.7
277.02615	1.1
277.05655	17.4
277.08926	1.1
278.03397	2.3
278.06049	1.0
337.07739	100.0
337.11087	3.9
338.08133	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24978	0.2
59.01379	1.1
64.81826	0.2
67.01887	0.6
69.03449	0.4
71.01369	0.6
81.03448	0.3
83.05014	0.3
85.02947	6.1
87.00877	2.2
89.46265	0.2
93.03455	4.5
97.55201	0.2
98.21809	0.5
99.04504	0.4
107.91212	0.2
109.02962	0.6
111.04505	1.1
111.94554	0.2
117.03457	0.2
119.05051	1.3
127.04011	2.4
145.02946	0.9
163.04005	1.9
171.02977	0.5
173.04543	1.6
191.05605	100.0
192.05946	3.5
337.09280	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	337.0928
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01359	2.1
60.99308	1.3
65.61162	0.5
67.01894	4.5
69.03451	1.7
69.75428	1.9
71.01367	2.2
74.53003	0.6
77.88329	0.5
81.03448	1.3
83.05010	1.0
85.02951	7.0
87.00873	6.2
93.03455	26.8
94.03783	0.9
109.02973	1.0
111.04512	4.2
113.02479	0.5
119.05015	11.4
120.28479	0.6
127.03975	1.9
129.01949	0.7
137.02380	0.8
145.02943	1.8
155.03473	1.1
163.03986	9.4
173.04541	22.1
175.04002	0.7
191.05603	100.0
192.05927	3.3
250.61497	0.6
277.87933	0.6
297.35324	0.6
337.09277	4.4
338.12503	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	337.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73949	4.8
52.76752	5.6
54.41605	5.7
58.02445	5.0
59.01383	100.0
63.31684	6.0
69.44318	25.5
71.01379	51.9
89.02439	97.7
101.02457	27.1
113.02447	25.4
119.03493	30.3
143.03444	7.3
145.34885	5.4
161.04549	8.2
179.05695	34.3
200.16759	5.1
237.21550	5.9
337.10965	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	337.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11155	1.5
52.22264	1.3
59.01376	23.2
69.33174	5.9
71.01377	16.1
73.02936	2.5
82.49139	1.3
85.02953	9.3
87.00872	3.9
89.02441	16.2
95.01365	2.5
99.00890	5.4
101.02444	9.2
111.00871	2.1
113.02439	9.1
113.99598	16.9
115.00355	8.1
116.25578	1.5
119.03523	7.5
127.00375	3.5
129.01938	4.0
131.03532	1.8
133.01419	2.4
133.42532	1.4
143.03514	2.3
145.01413	9.8
145.05302	1.3
157.01430	3.3
161.04521	3.2
169.01486	2.2
174.01688	14.5
175.02435	3.7
179.05643	8.8
191.05588	12.4
277.05542	17.5
337.07767	100.0
337.14532	2.7
338.08163	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80128	19.7
52.69847	21.9
59.01369	19.8
69.29375	100.0
98.51120	20.2
99.74535	19.4
107.69437	23.0
191.05611	44.0
272.80197	23.2
307.13568	27.3
337.08102	26.8
339.78253	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.66136	0.2
54.36842	0.2
59.01361	0.7
69.25439	1.2
81.03438	0.5
89.03967	1.5
104.02693	0.7
105.03463	3.2
109.02946	0.4
127.00340	0.3
133.02956	8.2
134.03276	0.2
148.01711	0.6
149.02422	1.1
149.06087	0.6
173.70050	0.2
176.01114	1.8
177.01926	100.0
178.02286	4.5
183.02989	0.4
209.57454	0.2
339.07193	14.3
340.07404	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	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89815	0.4
52.33465	0.4
55.79221	0.3
59.01382	2.3
61.38895	0.3
65.67672	0.3
69.70314	1.3
71.01352	0.6
81.03438	0.8
89.03951	1.7
93.03441	0.4
95.13120	0.4
98.22011	0.4
98.55821	0.3
101.02501	0.3
105.03449	2.7
109.02916	0.5
119.05090	0.5
131.01248	0.5
133.02960	7.3
135.04424	0.5
148.01686	0.6
148.74881	0.4
149.02411	1.5
176.01167	1.6
177.01921	100.0
178.02274	5.4
183.02885	0.3
191.05617	0.4
192.06003	0.4
193.05881	0.4
217.05052	0.4
331.30722	0.4
339.07220	13.3
340.07544	1.3
363.56155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40217	0.7
58.33469	0.8
59.01377	100.0
60.01694	1.2
63.51419	0.8
65.07219	0.8
70.01939	0.8
71.01380	3.7
73.02936	1.1
79.27949	0.9
83.01395	0.9
85.02947	1.9
87.99959	0.8
89.02435	2.3
101.02423	3.1
113.02428	1.9
133.02917	1.0
149.64375	0.8
158.04890	1.7
159.05634	7.1
161.04546	2.9
173.07185	6.8
175.02681	0.9
177.01915	14.3
177.06668	3.9
189.06746	1.0
191.05666	1.6
191.08272	2.6
200.33754	1.1
205.06160	13.7
219.07800	8.6
246.46086	0.9
279.14423	8.9
283.86063	0.9
301.08228	0.9
338.20102	1.0
339.07590	1.6
339.11917	10.2
340.12421	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	339.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76633	0.7
69.53989	3.1
73.95090	0.7
79.95734	2.1
84.31421	0.8
96.95965	1.0
98.95587	1.5
112.94600	0.7
119.05016	1.2
127.00299	0.9
163.11275	53.6
164.11607	2.3
164.47803	0.8
164.69322	0.7
170.00409	1.6
175.48241	0.8
180.06235	0.7
183.01196	61.4
184.01747	3.7
197.02759	2.3
225.05864	0.8
245.08165	0.8
283.30905	0.8
339.19901	100.0
339.23370	18.9
340.20233	11.7
340.23764	2.7
340.27628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.76006	0.9
74.63003	0.2
83.93275	0.2
93.16747	0.2
95.91000	0.2
103.99146	0.2
107.05028	0.3
134.53152	0.2
147.08119	0.4
159.34753	0.3
163.11281	100.0
164.11617	5.2
339.23267	43.1
340.23599	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.27734	1.4
69.28139	0.9
98.22601	0.9
102.22392	0.4
106.33810	0.4
109.56624	0.4
115.76835	0.4
138.14375	0.4
147.08159	0.6
163.11279	100.0
164.11604	6.8
183.01208	2.7
197.02725	0.6
236.54547	0.4
339.19955	3.9
339.23288	49.0
340.20102	1.0
340.23627	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	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01374	2.4
60.41452	0.2
71.01389	1.1
71.44461	0.3
75.08546	0.2
85.02985	0.3
87.00912	0.3
89.02460	1.3
91.05524	0.3
101.02456	0.6
107.05038	2.8
113.02415	0.4
117.03455	0.5
119.03436	0.2
125.02489	0.2
133.02937	0.4
133.28552	0.3
134.03754	2.2
135.04526	100.0
136.04852	4.4
151.04034	1.2
159.58760	0.2
161.02432	0.3
179.03497	19.2
180.03865	0.8
191.03589	0.2
216.56041	0.2
233.34528	0.2
276.56998	0.2
281.06702	0.2
302.85452	0.2
341.08701	6.4
342.08978	0.5
350.59457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.19756	0.3
56.73173	0.3
59.01383	4.6
67.18526	0.3
69.40035	0.7
69.40444	0.9
71.01379	2.7
72.99303	0.3
73.02921	0.4
85.02960	0.5
87.04520	0.8
89.02445	3.1
91.05549	0.4
101.02448	1.3
103.46709	0.3
107.05027	1.1
108.02197	1.0
109.02977	0.5
111.04536	0.5
113.02459	0.6
115.00399	0.5
119.03509	1.1
119.05043	0.4
133.02959	0.4
134.03755	3.3
135.04524	100.0
136.04860	3.6
143.03532	0.4
147.04517	0.6
149.06111	0.4
161.02457	0.4
178.02751	0.4
179.03494	93.5
180.03856	4.9
181.42168	0.4
183.03070	0.4
246.29053	0.3
341.08621	14.4
342.08936	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03438	1.2
58.00587	1.3
59.01379	100.0
60.01708	1.4
65.89822	0.3
67.52889	0.4
69.56916	1.8
69.57257	0.4
71.01381	61.4
72.01710	0.8
72.72767	0.4
72.99314	1.0
73.02937	2.0
75.00880	0.5
79.35764	0.4
83.01387	1.8
85.02952	8.5
87.00875	4.1
89.02444	79.6
90.02779	1.8
95.01402	3.4
97.02993	0.5
101.02441	30.2
102.02773	0.6
107.03517	0.5
113.02448	23.7
119.03502	27.3
120.03833	0.7
125.02454	1.3
131.03494	4.3
143.03513	8.4
149.04521	4.3
161.04558	10.7
162.04855	0.5
175.81580	0.4
179.05614	34.9
180.05984	1.1
190.73843	0.4
191.05615	1.6
196.96193	0.4
341.10880	47.9
342.11212	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03447	1.7
58.00578	0.7
59.01378	100.0
60.01722	1.2
71.01379	57.7
72.99317	1.1
73.02950	2.0
75.13343	0.6
83.01411	1.7
85.02956	7.8
87.00890	3.8
87.64332	0.6
89.02444	73.2
90.02789	0.9
92.17847	0.6
95.01382	3.6
99.00903	0.6
101.02449	27.3
107.03480	0.6
113.02452	20.4
119.03503	25.1
124.82949	0.6
125.02493	1.1
125.34864	0.6
131.03505	3.5
135.04523	3.7
143.03481	5.7
149.04587	4.3
149.13541	0.6
152.87317	0.6
161.04572	9.1
178.68010	0.6
179.05617	30.0
180.05934	1.5
191.05609	3.9
206.59877	0.7
220.24535	0.6
341.10870	36.6
342.11224	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.0
57.03459	1.1
58.00584	1.0
59.01377	100.0
71.01379	58.8
71.01784	2.0
71.06380	1.0
72.01698	0.9
72.99312	1.8
73.02937	1.8
83.01395	1.1
85.02946	7.7
87.00886	4.1
89.02442	82.8
90.02814	1.3
95.01400	2.8
97.02993	1.0
101.02439	29.6
107.03439	0.9
113.02448	25.7
113.03240	1.3
114.02782	1.1
119.03500	32.0
125.02474	1.1
131.03506	5.5
135.04536	2.5
143.03493	7.7
149.04565	6.1
161.04552	10.8
179.05606	39.9
180.05907	1.6
191.05595	14.0
341.10855	50.4
342.11215	3.5
358.38284	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01379	100.0
67.61263	1.2
68.69990	1.3
69.03451	2.2
71.01385	56.2
71.43928	2.0
73.02957	7.7
73.03300	1.6
78.53642	1.2
83.01379	4.4
85.02950	16.8
87.00870	20.2
89.02444	70.6
90.02808	1.4
93.58030	1.2
95.01392	4.0
97.02943	4.3
99.00880	5.2
101.02445	40.5
101.30597	1.3
113.02448	20.5
117.01904	1.8
119.03497	18.3
125.02442	7.8
131.03505	4.6
143.03493	11.9
149.04532	1.9
161.04558	38.9
179.05620	60.7
180.05910	1.6
191.05589	4.0
206.61978	1.4
281.08694	2.4
334.71954	1.4
341.10873	69.4
342.11179	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77765	0.7
53.86857	0.5
56.41187	0.6
59.01377	1.4
69.03456	2.2
71.05360	0.8
71.05721	0.6
79.16865	0.6
79.34524	0.6
82.54813	0.7
83.05002	1.1
84.02157	6.3
89.02387	0.8
94.78198	0.6
97.02952	2.0
97.06585	9.3
99.04512	1.8
116.54303	0.7
119.08635	0.7
123.05592	0.7
125.09718	1.8
151.11237	0.6
165.12791	0.7
171.10262	23.8
172.10593	1.4
175.11305	0.9
193.12326	12.8
211.13417	2.3
221.11777	1.1
225.14949	16.8
226.15291	1.2
243.15964	5.5
244.16306	0.7
253.14503	1.1
269.61768	0.8
291.19641	2.3
305.21378	1.0
314.82111	0.7
341.23309	100.0
342.23618	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	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37911	0.2
59.01376	74.3
59.83367	0.2
60.01705	0.7
69.67891	0.4
69.68275	0.4
72.22773	0.2
92.99214	0.2
98.22626	0.2
113.04582	0.3
129.84474	0.2
146.27115	0.2
157.03551	7.3
158.03687	0.4
159.01488	1.7
160.01634	0.2
185.01163	0.9
186.00815	0.4
199.98747	1.0
201.02536	100.0
202.02707	7.9
253.52022	0.2
343.03723	3.2
344.03891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30339	0.9
59.01368	4.0
71.43935	1.0
81.45886	0.9
83.55692	0.9
85.02947	1.3
89.02448	18.7
89.08495	1.0
93.03420	1.5
108.02149	2.7
109.02973	7.5
111.00900	2.1
115.94368	1.1
119.05007	1.1
121.02937	3.1
122.03716	1.0
123.00856	2.7
124.01641	1.1
125.02425	1.0
133.02963	1.4
135.04546	5.0
136.05292	1.9
137.02429	2.0
137.05104	1.0
137.06070	4.7
140.01152	1.1
149.02359	1.1
151.00394	1.3
151.07664	1.5
152.01173	15.1
153.01938	1.2
155.03568	1.1
162.06857	2.1
163.07628	3.4
164.01170	19.0
165.01691	0.9
166.02721	8.6
169.01437	2.9
177.01918	3.6
179.03511	2.6
180.00616	5.0
180.07976	3.0
181.05078	10.7
181.08676	10.7
183.02954	1.0
191.05640	11.2
193.01457	9.7
194.02205	25.1
195.02716	1.5
205.01347	1.4
206.02042	2.5
206.99304	1.9
208.00122	84.9
209.00568	5.1
209.04546	7.4
221.00888	3.9
221.04541	1.3
222.01656	1.4
223.02470	100.0
224.02783	5.6
227.07375	1.0
232.00029	1.7
236.09370	0.9
250.01196	2.0
253.07129	1.2
255.10303	4.7
265.03522	6.2
322.42322	1.1
343.06818	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03326	0.3
59.01382	2.5
69.66212	0.6
71.01373	1.2
73.02940	0.6
85.02947	8.7
87.00874	2.0
89.02442	0.7
93.03455	3.2
98.21881	0.3
99.04478	0.4
101.02428	0.3
103.75266	0.3
107.01349	0.6
109.02979	0.6
111.04525	0.9
125.02448	1.5
127.03992	2.3
135.03032	0.4
137.02444	0.3
155.03551	0.5
169.01418	3.6
171.03043	0.5
173.04533	1.6
179.05583	0.4
191.05602	100.0
192.05943	4.1
195.54663	0.3
225.31575	0.3
234.66412	0.3
248.31502	0.3
258.26605	0.3
343.06754	4.9
343.10977	0.4
349.08844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04944	0.2
59.01377	1.5
67.01891	0.3
69.03455	0.2
69.82183	0.3
69.82536	0.4
71.01380	0.8
73.02942	0.3
81.03462	0.3
83.05025	0.4
85.02950	7.7
87.00864	1.6
93.03451	2.7
99.04555	0.5
103.70224	0.2
104.27527	0.2
107.01385	0.8
109.02957	0.8
111.04552	1.0
125.02449	2.5
127.04009	2.2
137.02475	0.5
163.00430	0.3
169.01433	4.4
171.03023	0.4
173.04555	1.2
191.05621	100.0
192.05959	4.3
206.99319	0.3
209.00819	0.3
323.31390	0.2
343.02603	0.3
343.06693	5.1
344.07040	0.5
345.86560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0667
Annotation	Theogallin
Peak:m/z	Relative Intensity
59.01363	0.9
62.60681	0.3
71.01383	0.4
73.59559	0.3
85.02948	6.3
87.00863	1.5
89.83678	0.3
93.03467	2.1
97.60466	0.3
98.21887	0.8
109.02968	0.7
111.04525	0.7
125.02415	0.7
125.28322	0.3
127.04033	1.6
149.23157	0.3
166.06924	0.4
169.01428	2.2
171.03026	0.4
173.04532	0.9
191.05608	100.0
192.05923	3.9
194.57544	0.3
274.66452	0.3
343.06714	5.3
344.07022	0.4
349.01343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
59.01374	2.0
63.06681	0.7
70.43910	1.7
83.01384	70.5
84.01719	1.5
89.26848	0.9
145.06569	1.5
153.00687	0.8
159.04523	1.2
161.06027	1.0
171.04503	0.9
187.03870	0.9
187.07678	0.9
188.04640	1.1
189.05515	5.3
191.05634	2.8
203.07143	2.8
213.05594	2.2
213.47458	0.8
215.03601	4.9
215.07094	1.2
229.05135	4.0
231.06628	38.9
232.06934	3.3
241.05107	1.8
255.06601	3.1
257.04489	5.5
259.06110	38.6
260.06439	2.5
269.04584	3.7
283.06055	1.4
285.04105	3.0
286.04694	1.8
299.09204	7.0
300.06369	0.9
301.06985	3.8
313.03537	33.6
314.03915	3.2
315.08853	0.8
328.01828	1.6
328.05865	76.5
329.06195	6.7
343.08215	100.0
344.08557	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.37872	0.3
57.31112	0.3
59.01378	12.3
59.02350	0.3
64.79108	0.4
71.01367	0.5
71.03877	0.5
73.78650	0.3
79.08920	0.3
93.03477	0.4
95.05021	0.8
96.05434	0.4
98.38261	0.4
107.05017	0.7
109.02951	5.7
109.06577	3.3
111.38805	0.3
119.05026	3.9
121.02968	6.0
122.03726	1.5
135.04518	3.7
137.06088	28.8
138.06416	0.8
181.05063	100.0
182.05396	5.1
191.05682	1.0
222.46141	0.4
256.80856	0.4
264.00714	0.4
298.38074	0.4
343.10345	14.9
344.10687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	20.6
66.92712	6.7
69.12479	13.3
69.12879	31.0
71.01376	9.5
72.47684	8.8
82.74239	7.5
85.02940	11.5
89.02447	15.5
108.02142	13.2
109.02939	21.7
121.02966	16.9
122.03740	14.9
125.02434	20.2
135.04553	48.2
138.05592	62.5
166.58167	6.9
169.01393	23.0
175.52266	7.5
179.03464	30.2
180.03854	9.6
191.05595	100.0
214.12100	6.8
222.04352	7.3
226.06334	10.9
227.07158	11.8
240.27228	8.3
250.05014	6.9
255.10246	74.8
256.10440	9.4
300.10886	56.5
307.08282	8.2
346.23532	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48540	1.1
51.68798	1.0
54.51867	1.2
59.01371	2.0
62.82489	1.1
69.88158	2.7
69.88506	2.2
75.29115	1.1
99.08169	4.3
121.02961	2.6
121.10219	6.0
125.09702	1.4
130.83566	1.2
137.09698	2.2
142.81137	1.1
171.10262	45.0
172.10614	2.0
174.55534	1.5
191.05557	3.5
193.12360	7.6
211.13405	2.2
225.14937	9.9
243.15938	2.7
289.18060	7.1
293.21228	1.6
307.18777	1.2
318.12677	1.3
331.96878	1.4
343.24863	100.0
344.25159	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.43539	1.0
59.01377	2.7
66.03443	0.9
66.55339	0.9
69.82124	2.6
69.82469	1.3
76.41879	1.0
83.05022	1.5
96.68178	1.1
99.08145	10.8
121.02935	2.2
121.10153	1.5
125.09757	2.4
137.09705	1.6
171.10280	10.3
191.05605	2.1
193.12334	16.3
211.13387	3.4
225.14961	21.4
226.15259	2.2
243.15990	8.7
244.16339	1.1
271.45993	1.1
293.21167	1.5
313.03653	1.4
328.05798	1.8
329.07822	1.0
342.90253	1.1
343.24881	100.0
344.25204	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	344.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12200	11.3
55.53861	12.1
70.92223	17.9
82.88884	12.0
123.86417	12.2
127.46712	12.7
145.57269	12.4
217.07211	30.6
240.30148	11.6
289.73181	12.2
301.16544	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	345.0614
Annotation	Trichione
Peak:m/z	Relative Intensity
58.37751	0.5
59.01382	5.0
63.10814	0.6
68.99813	0.6
69.34518	2.8
71.01392	1.4
73.02944	0.8
77.03978	0.7
87.56606	0.5
89.02426	1.2
93.03463	3.1
93.03969	0.6
95.01380	1.4
101.02455	1.5
105.03461	1.8
107.77075	0.6
108.02169	15.6
112.01704	0.7
115.06870	0.5
116.17944	0.5
119.03481	0.6
120.02204	0.7
121.02950	21.0
123.04520	22.0
124.04874	1.2
125.02545	0.5
131.30673	0.5
132.02132	0.8
133.02957	12.7
134.03728	1.8
135.04543	3.7
139.58942	0.6
145.02922	2.9
158.03717	0.9
159.04489	1.3
160.01654	0.9
161.02435	3.0
162.03212	2.1
165.01900	6.3
171.04469	0.6
172.05283	1.7
178.02679	10.0
182.15125	0.6
183.10287	0.7
185.06078	8.6
186.06860	4.8
187.04028	0.7
187.07492	0.9
191.05623	0.7
199.03998	1.0
201.05518	0.7
201.09210	1.5
202.02686	0.9
202.06372	1.0
213.05620	2.3
214.06377	3.3
229.05162	0.6
230.02206	2.4
230.05696	0.8
241.05048	2.3
242.05824	15.3
243.06166	1.1
243.12160	0.7
257.08188	17.0
258.08432	1.3
286.04803	11.8
287.05200	1.3
301.07150	100.0
302.07452	8.1
345.06152	12.9
345.15372	3.9
345.22720	2.1
346.06406	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	345.0825
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.00036	0.7
59.01379	32.6
65.49434	0.6
69.75896	2.1
71.01380	13.4
73.02911	0.7
83.01395	1.2
84.65820	0.6
85.02955	3.9
89.02448	8.9
95.01396	1.4
98.22580	0.8
101.02450	6.4
107.01389	16.1
113.02444	4.5
119.03501	2.9
121.02940	1.0
123.00857	3.3
123.04513	0.9
124.01667	12.3
125.02399	2.1
137.02452	2.9
138.03215	5.7
139.00443	0.9
139.04010	23.9
164.93871	0.7
165.01891	1.0
166.02718	1.4
166.99895	3.7
167.03561	0.9
167.99185	0.9
168.00624	15.7
170.92337	0.7
182.02208	3.5
183.02982	100.0
184.03326	3.8
187.65305	0.8
197.04582	2.6
206.02232	0.8
210.01692	3.9
211.02551	1.0
225.04047	21.8
226.04312	0.9
255.05130	6.5
256.80753	0.7
285.06146	9.4
290.97308	1.0
330.05832	0.8
345.08243	52.9
346.08731	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	345.0827
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01383	17.8
71.01379	5.7
71.05020	4.3
71.43291	2.6
72.99298	16.5
73.02939	18.8
78.95900	3.4
85.02943	5.2
89.02444	2.5
95.01378	9.2
95.05016	3.3
96.36794	2.0
97.02950	13.9
100.41919	1.9
101.02429	3.1
108.02185	32.7
109.02974	11.8
113.02427	3.0
123.00882	59.9
123.01743	4.1
123.04557	2.1
124.01698	13.7
136.01639	7.0
137.02455	13.1
138.03241	22.0
139.04005	65.9
142.54268	1.8
151.04048	2.4
152.01135	17.2
153.01921	3.9
154.05939	1.9
159.01418	1.7
161.04527	9.7
163.03966	3.3
165.01939	11.4
166.02733	18.0
166.05081	4.3
168.00603	4.1
174.99313	2.2
178.02692	2.1
180.00632	43.7
181.05023	2.5
182.02184	3.9
182.99359	1.7
183.02991	20.1
191.05695	10.0
192.00562	3.7
192.05954	8.0
193.01332	3.6
193.06035	10.6
194.99315	13.4
195.02972	7.8
196.03690	6.5
201.02525	3.9
202.98727	8.0
203.02390	3.2
204.23747	1.8
205.01393	3.8
206.02289	1.8
210.01849	2.6
225.04088	11.2
234.01556	2.1
237.04053	4.3
249.04062	3.7
255.05104	9.2
256.92789	2.2
271.08218	5.0
276.50143	2.2
290.97162	3.5
330.05783	11.1
339.39667	1.9
345.08228	100.0
346.08566	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	345.0826
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.91765	0.3
59.01377	3.2
67.77694	0.3
70.62001	0.4
71.01367	1.6
71.04985	0.4
82.00607	0.4
86.00079	0.5
87.00832	0.7
87.65164	0.3
89.02437	2.0
97.02937	1.1
101.02422	0.9
110.00109	0.5
111.00878	1.0
113.02431	1.4
119.03487	0.8
123.00884	3.6
123.04482	1.4
124.01653	11.4
127.00410	0.4
136.98781	0.7
139.00362	1.4
139.04021	5.2
140.01146	1.4
141.01924	1.0
144.03973	0.4
147.22742	0.3
154.02516	0.4
154.70390	0.4
161.04539	0.5
165.01912	0.8
166.99838	3.1
168.00648	6.2
170.85809	0.3
179.05612	1.2
182.02206	9.7
182.26772	0.4
183.02977	100.0
184.03302	4.6
225.03934	0.4
345.08261	40.5
346.08603	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.9
71.01383	2.0
74.49759	0.7
75.11062	0.7
77.45268	0.8
83.01393	0.8
85.02927	0.9
89.02414	1.4
93.03456	4.9
97.02950	2.1
98.91359	0.7
101.02464	1.1
107.01422	0.7
107.53799	0.6
113.02470	1.6
120.61462	0.7
121.02956	21.9
123.04523	100.0
124.01687	3.6
124.04871	3.7
138.03156	1.1
139.04004	9.1
161.04546	2.8
166.99760	1.0
168.00641	3.9
182.02197	2.2
183.02977	31.3
184.03354	1.6
191.03595	0.7
191.05542	1.2
225.04218	1.2
255.05116	1.0
285.09805	2.0
345.08142	13.4
346.08508	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01867	3.4
57.03432	2.7
58.00579	1.0
59.01378	100.0
59.22964	0.7
60.01700	1.1
62.64574	0.9
69.77950	0.8
71.01379	47.9
72.99313	1.6
73.02939	6.8
83.01378	4.8
85.02949	14.6
87.00876	1.6
89.02443	40.8
95.01369	4.1
98.21854	3.0
99.00863	2.4
101.02438	38.7
113.02443	19.2
119.03500	24.9
121.10206	8.0
123.04488	1.8
131.03523	1.5
143.03525	1.8
149.04559	1.5
161.04541	2.5
165.09198	1.7
165.12126	0.9
179.05611	1.6
181.12405	1.6
183.10274	2.2
197.48965	0.8
229.22293	0.9
243.12288	6.2
260.17267	1.0
273.45856	1.0
275.82492	0.9
285.13358	1.9
345.15518	67.6
345.22675	6.0
346.15805	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.6
60.01715	1.2
61.01792	0.4
61.98829	100.0
62.64625	0.2
69.89039	0.6
103.01556	0.2
105.04315	0.2
109.29789	0.2
112.79272	0.2
125.59330	0.2
159.01564	0.3
159.03305	0.3
160.97659	0.3
174.99281	0.8
188.00800	0.5
189.00677	0.2
201.02571	1.5
202.02713	4.5
202.98831	2.0
203.02277	5.2
203.98412	1.8
203.99998	42.6
204.02644	1.5
205.00116	3.5
217.00246	0.3
346.00977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
61.98829	2.1
67.34669	0.9
69.47916	3.2
71.01365	2.0
73.02921	1.1
87.00868	1.3
88.67812	1.1
89.39159	1.0
91.22701	1.0
93.03467	5.3
94.15846	1.0
95.01372	3.8
101.02458	1.1
106.62878	1.4
109.02946	43.9
110.03297	1.7
111.00876	2.3
113.02430	1.4
121.02955	34.6
122.03217	1.2
123.00877	11.8
123.04519	2.7
124.01707	5.6
125.02435	4.2
135.04526	26.5
136.01717	1.1
136.04880	1.7
137.02440	35.5
143.05009	1.1
147.04474	1.1
149.02444	3.4
149.06062	1.6
150.03188	1.7
151.03932	1.3
152.01186	2.8
161.04488	1.1
166.99841	3.8
168.00594	4.9
169.01410	1.9
171.04489	1.2
173.05991	1.2
177.05550	4.6
178.99890	2.0
179.05617	1.4
180.00694	1.3
181.01425	3.0
185.03490	1.7
185.06094	2.1
189.05580	8.0
191.03586	1.2
193.01439	2.2
194.99352	1.7
206.99268	1.5
213.05548	8.0
215.07202	1.8
221.04494	6.9
225.00313	1.3
241.05046	6.0
242.05649	1.6
257.04526	1.7
258.05203	1.7
259.06104	12.2
285.04065	1.7
303.05081	100.0
304.05392	8.9
311.07745	9.7
340.89059	1.1
347.04028	9.8
347.08258	2.4
347.12729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30259	1.0
59.01379	10.7
61.98824	4.2
64.15855	1.0
69.03448	2.0
71.01381	4.4
75.00871	7.7
78.95904	2.0
85.02947	4.7
89.02442	4.5
93.42371	1.2
97.02932	3.1
101.02467	1.8
109.02936	12.2
111.00875	2.2
113.02467	2.1
118.96613	1.4
119.03474	2.3
123.00868	1.5
123.04485	1.4
125.02433	3.5
129.05595	2.1
135.03592	1.8
135.04527	18.9
141.01878	1.2
143.00015	1.2
143.05031	9.9
145.02948	1.3
146.03670	1.8
147.06657	1.3
148.05241	1.1
149.06093	10.5
151.04030	1.6
159.04431	3.0
161.06082	12.3
163.04059	1.6
165.05602	2.3
166.99939	1.6
171.04521	12.4
174.03229	2.7
177.05569	19.4
179.03453	2.2
179.05608	1.6
188.75124	1.2
189.05576	100.0
190.05907	6.2
191.03569	2.0
199.78868	1.2
202.98749	1.4
207.06584	7.8
218.04095	1.3
221.04538	10.2
234.66243	1.1
248.95868	1.2
249.07613	2.9
251.05614	3.6
301.61853	1.2
309.11823	3.2
311.07718	32.9
312.08047	3.6
347.00952	1.2
347.06107	1.1
347.11713	1.5
365.07755	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	347.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	38.6
85.00396	11.9
98.22688	18.0
149.70810	9.2
157.79053	8.1
168.13943	100.0
211.13385	9.6
283.82346	7.4
293.21292	20.7
304.19177	14.3
360.50433	9.2
367.63763	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	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41980	1.0
52.53728	0.9
61.98828	15.4
67.39177	1.0
69.14226	6.2
72.18417	0.9
86.33345	1.0
101.94321	0.9
107.01380	2.3
111.54887	0.8
118.82465	0.9
133.02950	13.2
149.02417	1.7
151.00395	5.7
175.04016	2.3
195.08229	1.0
199.03978	2.2
217.05103	1.4
218.89728	0.9
221.64110	0.9
241.05208	1.2
273.05414	1.1
274.34534	1.1
285.04044	100.0
286.04349	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	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98829	100.0
62.98527	0.9
63.99249	1.3
69.21242	2.2
81.39430	0.4
107.20649	0.4
118.99304	2.3
122.50807	0.4
124.66682	0.4
133.64911	0.4
134.20616	0.4
137.00284	0.5
146.54552	0.4
162.98508	0.8
163.94444	0.7
164.96329	0.5
176.98074	0.5
180.16743	0.4
185.53893	0.4
190.97765	3.6
203.99989	2.0
205.00122	4.9
205.99727	7.6
206.97447	45.2
207.93428	1.2
207.97620	3.1
348.98196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98829	100.0
63.62384	0.4
68.17535	0.5
71.01379	1.3
89.02418	0.5
103.28426	0.4
107.01395	0.4
133.02991	0.7
135.04529	1.9
151.00404	1.1
266.95483	0.5
287.05420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08276	5.6
59.01373	27.8
71.01379	9.1
83.55582	6.2
86.99769	6.5
87.00883	10.2
93.03472	27.1
105.03461	12.0
109.02956	12.4
111.83363	7.2
133.02965	100.0
135.04521	13.1
138.05609	10.9
167.05820	7.2
173.04550	34.1
175.25768	6.6
177.01932	28.1
191.05606	26.7
193.09236	7.2
215.05595	14.4
235.08463	9.2
307.12997	24.9
307.17993	9.1
351.07574	10.8
351.11871	33.5
363.39276	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	351.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
58.83855	0.3
59.01375	100.0
60.01710	1.1
62.44130	0.4
70.14825	0.4
71.01379	21.8
72.01733	0.5
73.02935	0.4
81.34538	0.3
83.01384	0.4
85.02948	2.8
87.00875	1.1
89.02440	35.0
95.01405	0.6
101.02440	9.1
101.03093	0.6
111.04540	0.6
113.02438	8.9
119.03497	11.4
131.03508	1.4
141.52072	0.4
143.03494	3.1
145.92316	0.4
149.04573	1.2
161.04536	3.0
179.05597	10.6
181.40298	0.4
212.83112	0.4
351.12946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16417	0.6
53.08097	0.5
58.00602	0.7
59.01377	100.0
60.01724	1.2
61.26194	0.6
69.33860	3.0
71.01382	24.0
71.01783	1.3
79.44740	0.6
85.02950	3.2
87.00880	0.7
89.02443	28.8
94.52883	0.5
95.01391	1.2
98.21916	0.9
101.02447	8.2
112.86778	0.6
113.02445	6.7
119.03506	9.6
131.03502	1.2
143.03522	2.4
144.42375	0.5
149.04585	0.9
158.78056	0.6
161.04501	2.9
179.05618	8.1
190.00598	0.6
299.17349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2539
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
52.52750	0.9
55.65965	0.9
57.05766	1.0
59.01372	4.4
70.44405	1.3
80.12922	0.9
81.78483	0.9
109.02940	0.9
110.25086	1.0
125.87322	1.4
133.03009	1.9
137.06079	1.3
165.09250	2.3
231.10400	1.2
289.25366	4.0
333.24347	100.0
334.24695	13.2
351.25378	18.7
352.25629	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29132	0.3
58.70126	0.3
59.01381	1.3
61.56534	0.2
69.29423	1.2
71.01379	0.6
81.03465	0.3
83.05008	0.3
85.02954	5.5
87.00876	1.6
87.15643	0.3
93.03463	2.3
99.04514	0.3
109.02923	0.3
111.04521	0.7
127.03986	1.8
133.02957	0.4
135.04524	1.6
161.02376	1.8
171.02985	0.5
173.04491	2.2
179.03534	1.9
191.05608	100.0
192.05943	4.7
310.30447	0.3
329.35461	0.3
353.08533	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	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01364	1.3
61.12837	0.3
71.01359	1.2
71.11546	0.5
80.50397	0.4
83.10506	0.3
85.02456	0.5
85.02949	7.9
85.03455	0.5
87.00861	1.9
93.03455	3.2
109.03003	0.4
111.04507	1.1
117.98743	0.3
127.04001	1.7
135.04561	2.1
150.71596	0.4
161.02455	1.5
162.29073	0.3
171.03065	0.7
173.04433	1.7
176.68707	0.3
179.03473	1.7
191.05600	100.0
192.05933	4.3
244.72748	0.4
244.74968	0.3
251.37874	0.4
261.25595	0.3
353.08820	0.8
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
51.23883	0.4
53.32088	0.3
59.01374	1.6
64.81889	0.3
67.01891	0.9
69.03439	0.4
71.01395	0.8
78.91933	0.4
83.05037	0.4
85.02948	12.4
87.00883	2.5
93.03461	3.9
98.22629	0.7
99.04538	0.6
109.02967	0.8
111.04517	1.7
127.04005	2.8
133.02927	1.1
135.04552	2.1
161.02440	1.8
171.02969	0.7
173.04507	1.9
179.03479	1.2
191.05608	100.0
192.05927	4.5
353.08856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.58349	0.4
59.01387	1.3
61.78410	0.3
67.01893	0.4
69.38087	1.7
71.01376	0.6
73.02950	0.4
85.02949	10.0
87.00873	1.5
93.03462	3.1
93.65786	0.3
98.21856	0.7
99.04516	0.6
100.98091	0.3
105.22296	0.3
109.02934	0.9
111.04523	1.2
112.45049	0.3
127.03996	3.0
133.02925	1.0
135.04501	0.5
161.02422	2.3
171.03017	1.0
173.04535	1.6
179.03487	0.6
191.05617	100.0
192.05980	3.7
257.81409	0.3
261.99432	0.4
353.08810	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
57.03447	0.3
59.01376	1.3
61.94217	0.2
62.64885	0.3
67.01884	0.5
69.03445	0.4
69.20058	0.2
71.01373	0.9
80.41969	0.2
85.02948	8.5
87.00877	1.8
93.03465	3.5
95.23583	0.2
109.02938	0.7
111.04489	1.0
127.04026	2.2
130.36040	0.3
133.02968	0.6
135.04536	1.6
154.80629	0.3
161.02513	1.3
171.02950	0.7
173.04527	1.2
179.03484	0.9
191.05608	100.0
192.05969	4.4
351.66623	0.3
353.08630	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	353.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49623	0.9
58.00582	0.8
59.01381	18.1
67.01879	0.9
69.03468	4.6
69.48541	3.4
71.01383	8.7
72.99285	0.7
73.02943	3.5
75.00845	1.1
81.03474	1.7
83.05038	2.5
85.02961	4.5
87.00871	1.2
89.02444	8.5
93.03461	24.6
99.00887	1.6
99.04514	11.9
101.02442	7.3
111.04524	13.2
113.02439	9.1
119.03510	3.6
127.04018	1.4
137.02492	1.9
143.03534	8.5
147.64348	0.9
155.03487	2.9
165.04080	1.0
170.97044	1.3
173.04550	27.4
174.04858	0.9
179.05614	2.0
191.05629	10.1
203.86714	0.7
353.10873	100.0
354.11295	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.85098	0.1
67.78428	0.1
79.95712	0.2
96.96003	1.8
107.04979	0.4
127.87021	0.2
147.08176	0.5
162.06821	0.2
163.11282	100.0
164.11620	6.3
164.12660	0.1
177.09201	77.1
178.09538	4.5
190.10065	0.5
191.05634	1.9
192.05914	0.2
222.09004	0.4
266.25882	0.2
353.21188	99.9
354.21548	15.2
354.26215	0.2
355.68777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03449	11.7
59.01379	11.0
67.01904	0.9
69.81284	2.4
71.01379	8.0
72.99304	2.0
73.02914	1.5
75.00863	1.9
83.01379	2.6
84.02194	1.4
85.02950	100.0
85.79213	0.7
86.03281	2.8
87.00880	2.7
87.03368	1.0
89.02445	3.6
93.03444	3.2
98.22588	1.3
101.02475	1.8
103.00363	1.3
109.02874	0.9
111.00867	4.1
113.02470	1.1
115.00365	1.6
119.05028	2.3
127.04031	1.3
129.01955	8.0
133.01433	1.7
134.03789	1.0
135.04509	2.5
147.03006	9.4
161.04575	1.4
163.04015	2.2
173.00920	1.3
173.04578	1.8
174.04903	0.7
175.02577	0.9
179.03471	1.4
180.03903	1.4
181.03827	0.8
191.01987	30.5
191.05618	35.3
192.05963	24.9
193.06073	48.3
194.06352	1.5
209.03020	44.4
210.03407	1.7
235.08151	1.2
235.50293	0.7
237.04030	0.9
275.90027	0.7
277.37488	0.6
337.02158	1.8
355.10007	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	355.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64149	0.6
57.03446	0.9
59.01377	7.9
60.01712	0.7
61.01794	1.9
61.98828	100.0
62.98530	3.0
62.99270	0.8
63.99240	2.8
68.43135	0.5
68.80900	0.6
70.64637	0.8
71.01392	3.9
73.01813	0.6
73.02946	1.4
75.00877	0.6
77.46137	0.5
83.01389	1.5
85.02954	10.7
86.03297	1.7
87.00866	3.4
87.03385	0.9
89.02464	1.8
91.02864	0.7
93.03464	4.5
96.77522	0.5
101.02456	1.0
109.02958	5.4
110.03384	0.5
111.00869	3.9
111.04515	0.7
113.02557	0.7
115.00384	3.2
119.03484	0.5
121.02957	1.4
127.04063	0.8
129.01965	0.7
135.04510	2.8
137.05132	0.7
139.00368	2.1
149.06087	8.5
157.01431	4.2
161.02469	1.2
163.04079	0.7
173.04584	2.0
175.02542	5.1
175.05057	0.7
179.03551	2.1
189.05565	1.4
191.00032	0.8
191.01958	2.7
191.05618	30.1
192.00276	1.6
192.05956	19.5
193.01385	1.1
193.06091	40.0
193.88644	0.6
194.01729	0.7
194.06497	1.3
195.06671	0.7
209.02972	3.7
214.43047	0.6
221.04590	2.1
237.04051	3.5
291.15515	0.5
295.13950	0.8
295.52689	0.6
355.06415	2.0
355.10162	1.9
356.06757	0.6
363.08536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2275
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
58.21693	0.5
59.41516	0.5
63.94321	0.4
72.32301	0.5
143.74458	0.5
145.54066	0.6
147.08176	2.3
161.09720	0.9
163.11316	3.6
187.11163	0.7
191.10904	0.6
213.81145	0.5
250.78088	0.5
265.12271	2.3
280.14700	6.3
281.15079	0.6
307.17020	3.3
321.18604	1.7
322.19412	2.8
337.21716	100.0
338.22061	12.4
355.23016	2.5
356.23080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.51648	0.7
58.34053	0.8
61.98796	1.1
78.18261	0.8
104.91987	0.9
107.22006	0.8
109.88175	0.7
122.03730	10.1
135.04518	23.4
136.04855	1.3
147.08165	2.7
149.06084	1.7
149.09692	6.8
161.09705	9.4
163.07623	3.3
163.11282	50.9
164.08417	18.6
164.11626	3.4
165.09119	2.4
169.63611	0.9
177.09204	70.7
178.09970	21.0
179.10765	100.0
180.11137	5.3
187.11324	1.5
191.10756	11.4
193.08676	2.8
210.51627	0.9
246.29967	0.8
265.12405	1.3
279.13922	1.1
280.14645	2.3
298.15723	47.9
299.16132	4.9
307.17148	1.5
309.22079	0.9
313.21786	0.9
321.18765	1.2
322.19235	1.4
337.21710	49.0
338.22101	6.7
340.20401	86.2
341.20789	11.4
355.22769	85.1
356.23096	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	355.2279
Annotation	Dshamirone
Peak:m/z	Relative Intensity
61.98831	1.6
69.35059	0.8
78.72497	0.8
97.13146	1.0
99.61226	1.0
104.02673	1.4
117.07063	0.8
124.80990	0.9
133.10251	4.2
139.54866	0.8
149.06604	0.9
161.09669	1.6
163.11284	91.2
164.11618	4.5
179.10768	74.9
180.11121	3.9
208.08855	0.9
248.02951	0.9
281.86206	0.8
337.21780	6.7
355.22769	100.0
356.23117	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	355.2853
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
57.22572	1.2
61.98833	1.9
66.96053	1.1
70.22222	2.3
71.69823	1.4
79.74226	1.1
85.27621	1.0
96.84770	1.3
135.39371	1.4
146.16948	1.2
176.18614	1.4
201.42679	1.0
244.93805	1.2
293.28485	59.2
294.28943	7.7
304.84137	1.5
311.29568	2.7
337.27417	14.7
338.27512	1.5
355.28519	100.0
356.28870	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95232	0.5
61.98826	100.0
67.39787	0.5
70.32880	1.0
74.13090	0.6
94.76340	0.4
100.71204	0.5
181.91475	0.6
256.25830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84992	0.3
59.01371	1.3
67.01883	0.4
69.21616	1.6
71.01376	0.5
81.03442	0.5
85.02445	0.6
85.02947	8.1
87.00877	1.5
87.71413	0.3
90.20575	0.3
93.03465	2.9
95.54398	0.3
99.04530	0.5
107.01376	0.7
109.02930	0.8
111.04539	1.1
121.05166	0.3
124.01649	0.4
127.04004	2.3
139.03990	1.0
155.03471	0.4
168.00685	0.3
171.03044	0.5
173.04552	1.1
177.01941	0.3
183.02966	3.6
191.05608	100.0
192.05948	4.9
357.08319	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18053	0.3
57.54721	0.3
59.01371	1.4
67.01889	0.4
69.03491	0.4
69.65711	0.5
69.66100	0.5
69.69006	0.3
71.01389	0.6
73.02946	0.5
80.97598	0.3
81.03442	0.5
83.05029	0.4
85.02948	8.2
87.00880	2.0
93.03457	3.4
99.04556	0.4
107.01378	1.1
109.02940	0.8
111.04517	1.1
111.53973	0.3
124.01692	0.5
127.03989	2.2
129.69234	0.3
139.03955	0.7
167.40976	0.3
168.00577	0.6
171.02963	0.7
173.04559	1.7
183.02969	2.4
191.05609	100.0
192.05923	4.5
219.69458	0.3
357.08133	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	357.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67109	0.2
57.03425	0.4
59.01380	2.2
62.15735	0.2
67.01887	0.6
69.03455	0.3
71.01385	1.5
71.43192	0.2
72.99317	0.4
73.02933	0.4
75.00860	0.6
76.15057	0.3
79.61666	0.3
83.05016	0.4
85.02945	9.0
86.03315	0.5
87.00876	2.1
89.02445	0.7
89.84832	0.2
93.03453	4.4
94.03768	0.3
99.04494	0.6
101.02451	0.6
107.01400	1.4
109.02942	0.9
111.04531	1.2
113.02427	0.5
122.92049	0.3
124.01614	0.6
127.04013	1.9
133.05077	0.6
134.83234	0.3
139.03999	0.9
143.03601	0.3
145.73662	0.2
149.04549	0.4
165.04065	1.4
168.00623	0.7
171.03020	0.4
173.04547	3.0
177.01915	0.3
183.02960	3.7
191.05603	100.0
192.05937	4.7
297.11862	0.6
298.91528	0.3
357.08270	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35805	1.1
58.12957	1.0
58.86548	1.1
59.01380	58.4
69.73189	2.2
69.73512	1.7
70.99634	1.1
71.01379	23.0
73.02923	1.6
81.84445	1.2
83.01379	1.6
85.02940	5.4
89.02442	23.3
93.03456	1.1
95.01396	1.7
98.22587	1.3
101.02431	15.8
108.02162	3.6
113.02434	8.1
117.03456	1.2
119.03516	9.9
119.05009	1.9
121.02921	1.9
123.04518	2.8
124.01588	1.3
134.03662	1.5
135.04515	7.2
136.05289	11.8
139.70412	1.1
143.03488	1.2
150.03279	1.1
151.03995	2.3
151.07671	2.7
161.02515	1.7
162.03224	66.5
163.03809	5.4
169.01404	1.5
177.05568	100.0
178.05899	7.2
179.05461	1.2
189.41463	1.1
191.05603	2.6
195.06622	77.7
196.06929	4.7
224.11461	1.2
357.11874	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.3
64.01102	0.4
64.13955	0.4
69.26824	2.5
71.01368	1.5
72.78856	0.5
73.02953	0.5
85.02957	0.8
87.00938	0.6
101.02412	0.8
108.02170	1.4
113.02434	0.5
119.05038	1.7
121.02961	1.4
123.04530	2.4
124.01676	1.0
134.03735	1.1
135.04520	7.8
136.05304	13.5
137.05617	0.7
150.06932	0.5
151.04012	1.5
151.07674	2.9
162.03186	1.1
177.05644	0.8
179.03462	0.6
183.03056	0.6
191.05591	0.9
194.09451	0.7
195.06621	100.0
195.10301	2.1
196.06943	5.9
206.73224	0.4
357.11890	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	358.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.2
71.01379	5.3
72.00909	4.2
73.02980	1.8
74.02474	100.0
78.91692	1.7
82.03001	2.1
82.06617	5.0
83.01418	2.4
83.01912	1.6
90.70770	1.9
93.03448	2.2
94.76414	1.9
98.02480	89.2
99.02820	3.0
100.00438	3.5
105.10044	2.0
108.02181	15.5
109.02960	37.5
112.04037	3.7
112.07659	2.3
115.00378	4.6
116.03574	2.5
118.05113	15.0
121.02929	4.2
121.46910	2.0
123.04468	2.1
125.03580	5.5
126.09230	2.0
133.02925	2.1
135.04543	9.0
136.04033	5.3
139.08817	4.9
140.07211	4.8
147.04539	2.6
148.05272	2.5
149.06093	10.6
161.06088	14.3
162.06889	3.8
163.07588	1.8
164.10829	3.9
166.08772	2.4
167.11923	1.9
168.10333	8.4
169.09827	7.5
178.01556	1.6
179.03491	4.7
185.09395	2.5
189.10460	1.9
189.59253	1.7
194.08176	16.9
197.04466	5.0
207.11369	13.0
212.09277	5.3
213.05438	2.4
225.12437	8.2
241.05107	4.2
242.05829	38.7
243.06609	7.5
251.10121	1.7
257.11462	6.9
269.08459	3.6
269.11414	67.8
270.11688	5.4
271.09772	78.3
283.52026	1.8
295.69208	1.7
297.91635	1.8
308.79120	1.8
313.14053	22.4
314.13629	25.1
315.13916	3.3
358.11710	4.5
358.16159	52.8
359.07809	8.4
359.16528	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	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05667	0.4
54.03885	0.4
59.01376	100.0
60.01708	1.5
69.73070	1.0
69.73441	1.1
98.21948	0.7
132.98192	1.9
157.03563	3.1
174.99240	25.1
175.99525	0.7
201.02533	23.9
202.02687	2.5
203.89764	0.4
217.00284	93.6
218.00587	3.2
239.09557	0.5
326.33084	0.5
359.01471	4.5
371.19086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41337	0.9
59.01378	70.8
65.80702	0.8
71.01376	4.8
73.02921	1.0
75.00896	1.3
84.91500	0.9
85.02951	5.8
87.00876	100.0
88.00407	4.5
88.01203	1.9
88.04038	7.8
89.02442	1.6
93.03442	2.5
95.01355	1.7
97.02921	1.2
99.00864	1.4
101.02448	2.9
107.05008	1.0
107.56345	1.0
108.02168	17.5
109.02972	8.9
113.02454	2.1
121.03005	1.9
123.00873	5.4
123.04514	2.0
125.02443	2.7
135.04523	29.4
137.02440	9.9
139.00365	2.2
151.04002	1.3
153.01936	3.1
153.05533	1.2
157.03587	1.5
161.04550	6.4
161.05780	1.3
166.99866	6.6
169.01443	1.4
170.60020	1.1
174.99252	17.5
179.03552	1.2
181.01428	1.0
182.02237	1.6
185.00880	3.3
187.56818	1.0
191.05598	35.1
192.00621	2.4
192.05940	1.7
193.06133	1.5
196.03795	5.5
197.04565	4.8
201.00768	1.0
201.02531	18.5
202.02684	1.8
205.76367	1.3
207.02946	1.3
211.02463	9.2
217.00293	80.1
218.00601	2.0
224.03229	3.1
239.05611	3.7
242.05809	2.6
250.37471	1.2
271.09964	4.9
284.95990	0.9
299.07724	1.7
327.06958	1.3
344.07355	1.3
359.01752	2.9
359.09399	13.8
360.10040	1.2
375.05374	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	359.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.9
62.87466	0.9
69.38248	1.4
69.38591	4.2
71.01373	3.1
87.00845	0.8
87.24289	0.9
89.02450	2.9
95.50116	1.0
99.00901	0.9
101.02448	1.6
108.02227	1.2
109.02945	2.1
113.02502	1.0
124.01693	4.3
125.02461	2.1
125.06330	0.9
137.02441	19.5
137.06062	1.7
138.03143	1.6
147.00934	0.9
148.01581	2.0
148.03766	1.4
152.01140	5.1
152.04816	1.2
153.01903	1.4
153.05495	0.9
155.03503	2.4
161.02466	1.3
161.04553	1.1
163.00365	1.2
164.01137	1.5
166.02725	6.2
166.99849	0.9
167.25600	0.8
168.00681	1.8
177.01892	1.5
178.99881	2.8
180.00603	1.1
181.01450	13.3
182.02199	4.0
182.15143	0.9
183.02963	9.1
190.02724	3.9
190.99861	3.7
192.00630	21.5
193.01405	11.0
193.98520	1.2
194.02208	7.1
194.99347	1.2
195.02962	2.7
196.03754	43.5
197.04282	4.0
205.01375	2.5
206.02199	11.5
207.02962	17.6
208.03358	2.0
209.04784	1.1
211.02470	83.8
212.02856	4.8
221.04597	6.8
222.01665	2.6
223.02513	1.6
224.03267	28.3
225.03889	3.7
228.02812	2.3
234.01599	7.3
237.03975	2.6
239.05574	28.2
239.07985	1.4
240.05975	2.8
249.03957	6.8
282.55203	0.9
299.11487	1.6
309.50766	0.9
312.04895	11.4
313.05481	1.0
327.07285	12.5
344.07465	19.0
345.07843	1.6
359.09811	100.0
360.10089	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	359.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11727	1.3
57.03453	1.5
59.01379	100.0
63.92370	1.4
71.01377	40.8
83.01360	2.4
85.02945	7.9
89.01928	2.5
89.02447	38.5
91.63403	1.4
93.45263	1.1
95.01394	5.1
96.70265	1.2
101.02436	23.7
108.02192	1.5
109.02964	3.9
113.02459	14.4
119.03502	13.9
119.05027	4.6
121.02967	7.4
123.00903	3.0
135.04535	2.0
137.02438	7.0
138.03224	4.9
139.00298	1.7
139.04025	2.4
143.03505	1.3
153.05544	9.0
161.04555	2.3
165.01921	2.4
166.99783	2.2
177.01901	1.4
179.03534	1.4
179.05556	2.6
180.04370	1.9
181.01414	5.0
182.02206	7.6
183.02734	1.5
195.06587	1.8
196.03741	4.8
197.04539	47.5
197.08182	4.5
198.04863	1.6
207.73918	1.1
211.06108	8.5
212.38741	1.1
224.03270	3.0
239.05595	30.4
242.05867	3.0
250.87515	1.2
266.91190	1.2
269.06717	1.9
271.09787	5.0
299.07755	5.7
299.11328	7.0
344.07501	1.7
359.09818	92.6
360.10132	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	359.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	68.5
59.32405	25.5
59.65695	31.7
69.63583	100.0
144.59843	28.1
153.01988	33.8
161.08189	31.7
177.99120	29.2
179.03569	36.5
217.00429	31.9
271.09689	34.2
331.52423	30.7
341.05280	34.9
359.06192	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01751	5.5
69.86076	9.2
69.86396	10.0
71.01374	44.7
72.50937	5.9
80.12789	4.8
85.02977	7.1
89.02448	91.1
101.02432	23.6
113.02477	30.9
119.03485	29.5
131.03522	6.9
143.03484	5.5
145.27908	6.1
161.04590	7.2
179.05527	28.5
217.00240	10.7
239.05614	6.5
271.03632	5.0
298.97968	5.4
359.09720	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	359.1248
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
56.36192	0.9
57.03427	1.4
59.01373	8.2
69.17988	5.7
71.01377	1.9
81.68338	1.0
85.02950	1.2
93.03442	0.9
95.03767	2.1
95.05035	1.5
96.08207	1.3
98.72062	1.0
100.12019	1.1
108.04566	1.3
112.53634	0.9
120.08125	1.2
121.05325	5.3
122.06126	5.6
124.07691	10.9
131.03752	1.1
134.06099	1.4
136.07617	1.0
139.11281	1.1
146.06122	19.6
147.06537	1.2
148.07677	12.3
150.09238	15.7
151.09528	0.9
154.33931	0.9
156.84410	0.9
162.05594	0.9
183.10277	1.8
185.11838	8.9
215.11852	10.4
216.10333	1.6
219.85208	1.1
227.08324	2.7
228.13954	1.3
241.09761	7.0
243.11311	34.0
243.14731	6.3
244.11635	1.7
255.11366	2.7
269.13116	1.8
271.14490	15.3
287.13992	6.2
297.12491	1.4
315.13483	100.0
316.13785	9.2
359.12494	39.7
359.16785	2.5
359.20740	8.4
360.08401	1.1
360.12912	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	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83826	1.5
55.79602	1.6
55.79881	1.6
59.01378	100.0
60.01723	2.0
70.64211	1.5
71.01384	6.3
73.02937	1.9
75.50413	1.4
78.21151	1.4
85.02938	4.3
89.02481	3.4
101.02437	3.3
108.02180	3.3
109.02936	2.4
113.02439	2.6
123.00865	8.8
135.04494	3.5
137.06081	46.8
138.03230	15.6
153.05592	4.7
161.04587	9.7
166.99796	3.1
175.57864	1.6
182.02245	7.3
189.58005	1.4
191.05632	7.9
192.06006	3.6
193.06053	8.3
197.04550	26.8
217.00285	1.9
239.05714	1.9
271.09784	2.4
283.87250	1.8
299.11356	2.9
359.09525	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	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76381	0.7
57.03459	1.1
59.01378	19.4
70.51289	1.2
71.01385	10.9
73.02930	1.4
83.39411	0.8
85.27618	0.8
114.96547	0.9
115.00378	11.0
116.57858	1.0
139.11279	18.0
181.12341	8.3
183.10271	24.0
184.10551	1.2
199.13414	4.7
225.11395	4.6
243.12361	100.0
244.12663	7.0
253.76866	0.9
359.13358	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	359.135
Annotation	Semperoside
Peak:m/z	Relative Intensity
52.75227	1.0
57.03431	1.3
59.01379	32.0
61.98838	5.1
69.12594	6.1
69.95466	0.8
70.90962	0.8
71.01379	12.8
73.02962	1.2
79.08458	0.8
83.05016	1.0
85.02949	6.2
87.50865	0.8
89.02442	11.3
95.01403	1.1
97.02940	1.5
101.02464	6.4
107.08683	2.4
109.06569	1.8
111.04507	1.1
113.02463	7.1
119.03491	2.7
128.13303	0.9
133.10231	3.1
135.08182	6.0
151.11253	0.8
153.09215	100.0
154.09531	5.0
167.10786	1.6
179.05585	0.9
179.07149	1.7
195.10251	1.8
197.08183	93.2
198.08510	3.8
239.09326	1.8
278.44156	0.9
315.13431	1.0
327.16241	0.9
359.13297	2.6
359.20599	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	360.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07985	0.3
53.92118	0.3
56.27493	0.3
56.31850	0.4
57.12362	0.3
59.01376	6.8
59.25941	0.3
61.26977	0.3
71.01374	1.1
71.45065	0.3
72.99310	0.5
89.02454	0.6
93.03436	0.4
96.91626	0.3
101.02432	0.6
102.29113	0.4
108.02177	7.2
109.03001	0.4
119.03505	0.4
121.02973	0.5
121.15150	0.3
123.00919	0.5
125.72551	0.3
135.04567	0.6
136.01697	1.9
138.01968	100.0
139.02332	3.6
151.02809	0.7
169.01421	0.5
188.04927	0.4
191.05621	0.8
194.99289	0.4
221.08180	1.0
257.04614	0.3
258.05292	0.7
265.07236	0.4
285.00229	0.5
299.99124	1.1
300.99918	2.2
317.06622	2.9
325.09094	0.4
342.10056	0.4
360.10901	0.6
360.16489	0.9
361.05630	0.4
361.10294	0.3
361.14908	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	361.1502
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.51703	0.7
57.80976	0.6
59.01376	2.7
69.20348	0.6
69.36379	3.6
71.01380	1.6
73.02946	2.2
80.56005	0.6
85.02941	1.6
87.04523	1.5
95.01411	1.1
98.21906	1.5
102.45013	0.6
113.02457	2.3
125.96117	0.6
133.14807	0.6
135.08112	0.8
137.09721	13.2
139.11360	0.8
155.10776	94.3
156.11111	5.1
181.08748	1.3
199.09749	100.0
200.10124	5.9
213.11404	0.9
241.10854	5.5
301.12668	0.7
361.15018	1.6
361.22012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03445	2.6
59.01377	49.8
59.05965	0.7
69.03487	0.8
69.19781	4.7
71.01379	24.1
73.02940	9.1
81.51236	0.9
83.01381	5.4
83.04998	1.4
85.02942	12.2
86.00092	1.8
87.00877	0.9
89.02431	5.0
95.01380	2.3
98.21867	1.5
99.00878	2.3
101.02438	20.4
111.00881	1.3
113.02447	8.9
114.47186	0.7
121.02953	0.9
125.02409	1.1
126.01195	0.7
139.73499	0.8
141.25259	0.8
159.03000	1.3
161.04539	3.0
181.12334	1.3
186.04579	0.8
199.13339	5.6
209.11819	29.7
210.12114	1.8
227.12941	2.2
300.99713	1.0
317.19861	0.9
325.20416	1.0
343.21170	1.9
361.18625	100.0
361.22385	8.3
362.19006	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	361.9893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91751	0.6
59.01376	77.4
60.01711	8.8
61.01797	2.6
61.98827	100.0
67.37454	0.6
68.70277	0.6
82.15502	0.6
84.22657	0.7
113.69416	0.6
123.89523	0.6
132.98204	1.1
136.97559	0.7
141.77904	0.7
157.03566	1.0
159.01491	0.7
159.03392	0.8
160.97670	0.9
161.97208	0.9
165.88054	0.6
174.99220	11.4
175.99570	6.7
176.98672	0.7
176.99800	0.9
177.98857	0.8
178.98515	6.4
201.02550	9.2
202.02719	2.4
202.98720	5.1
203.02248	5.2
203.98160	16.7
204.02731	7.2
217.00276	25.7
218.00627	31.8
219.00832	8.7
219.97768	55.3
219.99930	4.5
220.99606	32.9
229.73125	0.6
258.90421	0.6
361.97733	1.3
362.01666	2.7
363.01166	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	362.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01372	3.3
71.44440	0.9
72.13890	0.9
83.05040	1.0
85.02959	1.4
87.04485	1.6
89.02451	3.6
101.02435	2.3
113.02447	1.1
119.05012	8.8
120.05379	3.5
135.76172	1.1
140.07175	72.1
141.07500	2.0
161.04552	1.0
163.03996	12.8
164.04318	4.8
164.39932	1.0
190.77100	0.9
192.00662	1.8
196.13635	1.1
200.99519	1.4
201.11281	2.0
219.11412	1.2
247.02435	1.1
257.12988	1.4
276.05658	0.9
300.99774	3.9
301.99979	1.6
302.12442	2.3
318.04184	0.9
327.07144	2.5
336.97253	1.1
362.02634	1.2
362.15259	1.3
363.12552	1.2
363.16629	5.8
367.12900	1.0
376.51141	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	363.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16116	0.4
59.01395	0.7
69.47665	0.9
69.48069	1.0
71.01382	11.8
71.48633	0.5
72.10052	0.4
72.99314	2.5
85.02938	2.3
87.00864	0.9
89.02452	2.1
93.03452	0.9
115.00372	37.8
116.00719	0.6
125.24020	0.4
133.01430	100.0
134.01787	1.5
191.05605	20.5
192.05965	0.9
221.69981	0.5
303.00397	1.3
363.03326	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
71.01381	12.5
71.43221	0.5
72.99302	2.6
85.02950	2.9
87.00871	1.1
89.02456	2.1
93.03442	0.9
99.04530	0.4
108.56368	0.4
109.02967	0.4
111.00889	1.3
115.00372	38.6
116.00696	0.9
125.02464	0.4
127.04016	0.7
133.01430	100.0
134.01820	2.1
152.67441	0.3
173.00833	0.4
179.05637	0.4
191.01968	1.2
191.05609	23.8
192.05971	1.2
247.01405	0.9
303.00363	1.8
328.12360	0.3
347.58289	0.4
363.03131	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	363.1813
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
67.00529	1.9
67.33286	1.7
71.18276	1.6
71.44946	2.1
79.93919	1.6
90.46603	1.7
108.44104	1.8
115.80030	1.6
121.02976	2.4
149.85210	1.9
166.28818	1.7
169.01532	1.9
241.15942	28.4
242.16412	4.0
255.17526	2.4
257.19089	13.4
258.19547	2.3
275.20111	4.3
283.17014	3.4
301.18091	47.3
302.18420	4.8
319.19064	4.9
327.07089	3.9
345.16998	8.7
363.18130	100.0
364.18265	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	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70869	0.5
55.01879	1.1
56.93408	0.5
57.03444	1.4
58.00595	1.1
59.01379	100.0
60.01700	1.1
69.25901	1.0
69.26281	1.5
70.76541	0.5
71.01382	46.3
72.01730	0.9
72.99297	1.2
73.02959	1.9
79.67157	0.7
83.01401	2.9
85.02953	9.4
87.00881	1.7
89.02444	50.3
90.02769	0.7
95.01384	4.1
95.82325	0.6
99.08112	0.9
101.02444	32.9
113.02456	15.0
114.02747	0.8
119.03505	26.2
120.03862	0.6
122.41418	0.5
125.02517	1.4
131.03508	1.5
143.03534	2.1
149.04581	1.7
155.14410	1.0
158.48277	0.5
160.82819	0.6
161.04572	2.2
179.05649	3.9
183.13896	17.7
184.14293	1.3
192.00638	1.3
201.14964	3.5
207.02945	0.9
259.45212	0.6
284.17661	0.6
287.05106	0.8
327.07275	0.8
363.20248	82.4
364.20615	8.5
387.10382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
58.86502	0.4
59.01379	6.9
59.72042	0.5
65.37127	0.4
66.03485	43.6
67.03856	0.5
69.53203	2.0
71.01379	2.4
73.02950	1.3
76.79200	0.5
80.79913	0.5
83.01381	0.7
85.02952	0.9
89.02449	2.4
94.41090	0.5
95.01387	0.5
101.02439	2.1
107.01392	0.8
108.02199	5.2
108.04534	0.9
109.02962	11.2
110.02481	100.0
111.02819	3.0
113.02477	0.9
119.03497	1.3
123.00920	1.2
124.01655	1.1
124.04099	0.6
125.02467	10.4
126.02764	0.9
137.02486	0.6
149.02286	0.5
151.00508	0.5
152.03539	2.1
158.03740	2.0
159.04520	0.9
161.02448	1.0
169.01454	4.6
170.01787	2.1
192.00696	0.5
202.02713	15.3
203.12643	0.5
232.53146	0.7
240.24889	0.5
254.06546	0.6
275.05814	0.5
276.89401	0.5
287.04849	2.0
287.54987	7.0
288.05096	1.9
290.37112	0.6
300.62814	0.5
314.06061	0.6
363.23737	1.3
363.55527	0.9
364.10248	0.8
364.24060	1.2
365.08786	7.7
365.13199	1.0
365.18311	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	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52068	0.7
59.01373	1.2
70.63403	1.3
71.01363	0.9
82.06356	0.8
85.02955	6.9
87.00876	2.0
93.03448	2.6
111.04566	1.1
115.00352	0.7
127.04028	2.0
133.01450	1.7
142.99786	1.7
191.05606	100.0
192.05992	3.8
195.61725	0.8
220.31664	0.9
365.08978	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78508	0.5
59.01374	2.2
71.01380	1.4
72.99304	0.5
75.00885	0.6
83.05020	0.7
85.02947	9.1
87.00877	2.2
93.03461	2.9
109.02927	1.0
111.04525	1.4
115.02083	0.5
125.02524	0.6
127.04015	2.5
133.01414	2.2
135.03085	0.9
141.11932	0.5
142.99898	0.8
155.03477	0.8
159.03026	0.7
173.04503	1.4
180.81410	0.6
191.05612	100.0
192.06003	4.8
220.09245	0.5
365.04675	0.8
365.09000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21704	38.8
59.52807	38.7
69.56455	90.3
69.56834	100.0
92.91440	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.98956	1.1
53.35979	1.3
56.11393	1.2
59.01358	2.4
61.49904	1.2
61.98824	1.7
66.18338	1.2
66.78210	1.0
72.90682	1.3
78.70518	1.6
81.11020	1.2
83.54301	1.4
85.06605	3.0
128.15714	1.3
151.21468	1.2
268.11578	1.6
279.19653	15.9
306.87234	1.3
347.25903	3.6
365.26935	100.0
366.27283	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	38.2
61.98849	30.8
69.21606	32.7
69.64330	100.0
69.77567	32.4
75.53046	29.8
126.58945	27.8
173.52747	27.4
175.70245	28.3
212.98412	29.8
262.59116	34.9
342.86047	33.7
346.35028	33.1
365.27032	92.7
366.27121	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
61.98827	100.0
64.77963	0.9
65.28223	0.7
71.01385	2.4
73.02361	0.8
85.02929	1.8
87.00902	1.0
89.02431	1.4
93.03461	2.8
106.21458	0.8
111.04576	0.7
113.02428	1.1
117.01981	0.8
121.27326	0.9
134.03857	1.2
161.04726	1.0
172.92943	1.0
173.04512	1.9
173.70805	0.8
187.11238	1.3
191.05594	13.5
193.05083	1.3
267.43466	0.7
307.17584	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	366.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77769	16.0
59.01367	47.5
70.97210	18.3
71.01390	18.1
89.02434	37.4
101.02431	16.5
114.26456	16.3
134.03754	92.8
144.04546	25.8
149.06044	14.6
168.05060	15.3
173.18089	16.8
179.05577	25.9
193.01144	15.7
193.05046	100.0
208.21104	13.6
296.11664	15.5
328.07443	16.7
331.16989	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	367.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74436	0.6
52.77236	0.7
59.01375	4.4
61.98817	0.9
69.03441	0.9
70.02735	0.9
70.03068	1.5
71.01375	1.2
75.00872	20.7
81.03470	0.9
89.02454	1.0
89.03950	0.9
93.03474	1.1
93.60711	0.6
96.16809	0.6
97.02962	0.8
98.21969	0.8
101.02454	0.6
115.25915	0.7
117.03503	1.0
125.02444	46.2
126.02769	1.0
134.03732	14.1
149.02461	0.8
169.01422	100.0
170.01756	3.8
173.04539	1.2
191.05627	1.4
191.14838	0.6
193.05052	16.2
194.05365	1.1
194.54718	0.7
214.62419	0.7
276.85956	0.7
331.06689	26.0
331.10693	1.3
332.07083	2.4
357.15936	0.6
367.10263	1.2
390.08521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.26973	0.4
57.03451	0.8
59.01371	1.7
60.99305	2.0
62.49423	0.4
64.15660	0.4
67.01894	6.0
69.03448	1.2
69.21477	2.2
71.01376	1.7
73.02954	0.7
81.03453	1.3
83.05010	0.9
85.02948	4.8
87.00873	8.4
88.83151	0.4
93.03455	36.4
94.03760	0.8
99.00887	1.0
99.04462	0.9
101.02486	0.5
109.02943	1.0
111.04524	5.6
113.02453	0.6
117.03453	1.5
127.04003	1.4
129.01913	1.7
134.03745	15.9
135.04031	0.8
149.06093	1.4
155.03468	1.0
160.01598	0.6
160.81183	0.4
173.04538	11.5
174.04953	0.5
175.04022	0.6
178.02661	0.5
191.05606	100.0
192.05919	3.4
193.05057	7.6
209.11537	0.4
252.86566	0.5
261.11609	0.4
294.46613	0.4
319.81195	0.4
367.10367	3.3
368.10641	0.4
368.15308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01373	1.5
67.01884	0.5
69.03459	0.3
69.76057	0.9
71.01375	0.7
75.65738	0.2
85.02946	7.6
86.03273	0.2
87.00861	1.9
93.03453	6.0
99.04551	0.5
104.01218	0.3
109.02925	0.6
111.04531	0.8
117.03474	0.4
127.03999	1.5
132.34187	0.3
134.03729	2.7
155.03461	0.3
171.02930	0.8
173.04518	2.1
175.04146	0.3
191.05602	100.0
192.05959	4.1
193.05066	1.2
249.25922	0.3
268.75360	0.2
367.10202	1.4
368.10764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25138	0.4
59.01378	0.5
66.76509	0.3
66.91850	0.3
69.11253	2.3
72.99312	1.8
74.38206	0.3
75.00871	100.0
76.01215	0.9
87.24238	0.3
92.32941	0.3
99.44935	0.3
101.56036	0.3
110.92849	0.3
111.92981	0.3
117.03460	0.3
134.03770	2.9
135.42206	0.3
136.96965	0.3
164.22289	0.3
191.05530	0.4
193.05035	3.8
204.76385	0.4
205.68980	0.3
245.89839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
68.83266	0.5
71.56733	0.5
75.75923	0.5
98.96228	0.5
133.06584	1.9
149.09714	70.5
150.10030	3.0
205.15974	71.3
206.16370	5.0
211.91013	0.5
344.58539	0.6
367.26392	100.0
368.26749	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	369.3007
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
51.42181	1.3
67.46945	1.3
70.85017	1.3
80.34747	1.3
81.05746	1.3
91.72697	1.3
107.21783	1.5
111.46070	1.5
125.67505	1.3
125.94850	1.6
174.99840	1.6
193.12389	3.7
206.99751	1.5
307.30042	68.5
308.30429	7.1
320.01315	1.7
335.92502	1.5
351.29041	18.6
352.29324	3.0
369.30045	100.0
370.30298	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	371.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98802	0.5
67.01875	1.5
71.01374	0.9
72.99287	0.6
73.02917	0.5
75.00855	0.6
81.03484	0.5
85.02948	8.1
87.00853	3.3
93.03449	10.3
98.04347	0.5
98.58621	0.4
99.00861	0.6
109.02961	1.0
111.04491	1.8
121.02933	2.0
125.02399	0.7
127.04007	2.1
135.04509	6.2
136.04906	0.4
137.02394	0.7
153.05576	1.9
163.03923	0.6
171.02998	0.6
173.04543	8.1
179.05630	1.2
191.05600	100.0
192.05910	4.0
197.04544	1.8
252.14339	0.4
285.99863	0.4
328.95724	0.4
341.08963	1.1
371.09781	7.7
372.10165	0.9
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	Unknow
Peak:m/z	Relative Intensity
52.66359	0.5
58.07653	0.4
59.01370	1.3
60.99297	1.0
61.98814	0.6
62.47742	0.4
66.40585	0.4
67.01870	2.1
68.59268	0.4
69.03429	0.7
69.09395	1.5
69.09801	1.3
71.01364	0.9
72.99311	0.9
78.91872	1.8
85.02943	5.0
87.00871	2.9
93.03455	14.3
98.21877	1.1
109.02963	0.8
109.43549	0.4
111.04494	2.7
123.04518	0.7
127.03982	1.3
129.01970	0.4
132.04793	0.4
135.04523	14.5
136.04800	0.5
137.02480	1.0
153.05557	2.0
155.03397	0.5
161.02370	2.1
163.03807	0.4
173.04547	17.0
174.04890	0.7
179.03482	1.4
191.05606	100.0
192.05956	4.9
197.04568	2.9
341.08929	3.2
353.08795	3.5
371.09796	28.9
372.10184	2.4
377.54166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28259	0.6
59.01367	2.0
60.99296	2.1
62.12682	0.6
62.28266	0.5
67.01885	4.7
69.03452	2.1
69.16130	2.9
71.01369	2.1
73.02955	0.6
81.03461	0.6
83.04995	0.9
85.02940	5.3
87.00874	9.3
93.03460	30.3
94.03799	0.7
98.21840	0.9
99.00861	1.1
106.00599	0.6
109.02921	0.8
111.04512	5.6
113.02428	0.9
121.02953	10.5
127.03989	1.6
129.01923	0.7
138.03206	1.7
153.05557	6.4
155.03502	0.8
164.08386	1.5
165.09239	1.2
173.03067	1.0
173.04539	18.0
174.04817	0.9
191.05603	100.0
192.05934	3.9
197.04533	10.8
309.49911	0.6
371.09784	13.7
372.10147	1.3
374.36511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23038	0.3
51.82322	0.3
57.10732	0.4
59.01368	1.1
60.12118	0.4
60.99300	0.5
61.98812	0.8
67.01892	2.3
70.07593	0.7
71.01362	1.1
72.99316	1.9
78.91897	0.4
81.03429	0.6
83.05010	0.8
85.02466	0.4
85.02952	7.4
87.00868	3.1
93.03456	12.3
94.03776	0.5
98.22614	0.4
99.00830	0.4
109.02938	1.0
111.04495	2.2
120.85220	0.3
123.04518	0.9
124.40215	0.3
127.04011	1.5
133.02827	0.4
135.04527	16.5
136.04866	1.1
137.02481	0.9
137.38136	0.4
153.05547	0.8
155.03490	0.7
161.02432	1.9
171.02942	0.5
173.04539	13.5
174.04854	0.7
179.03502	1.6
179.05571	0.4
191.05605	100.0
192.05940	4.4
197.04514	2.6
209.03075	0.7
210.01500	0.4
223.82097	0.4
279.87085	0.4
341.08649	2.5
353.08713	4.5
371.09808	24.2
372.10159	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	371.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01379	1.0
71.10013	0.8
85.02950	9.0
87.00874	2.4
93.03461	2.8
109.02946	0.9
111.04539	1.1
127.04024	1.4
173.04535	0.9
173.31114	0.7
191.05612	100.0
192.05963	3.1
243.39661	0.8
315.30353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49811	0.4
59.01370	2.6
61.98829	100.0
66.41412	0.4
69.23566	0.4
69.30742	1.0
69.31140	1.0
71.01390	1.5
74.27993	0.4
83.01360	0.4
85.02960	2.9
87.00839	0.6
89.02450	2.0
93.03465	1.2
94.03804	0.9
98.10802	0.4
101.02456	1.0
113.02497	0.9
119.03519	1.3
129.05565	2.1
135.04535	2.6
136.04842	2.3
139.40706	0.4
143.03662	0.5
169.89200	0.4
173.03238	0.4
173.04622	1.3
174.04901	1.0
179.05630	1.8
190.33682	0.4
191.05627	8.2
192.05934	7.0
193.06071	0.5
198.04839	0.5
309.11963	2.0
342.09180	0.4
372.10211	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	86.3
69.37666	20.5
69.38075	33.8
70.27415	8.9
71.01373	59.5
71.01726	10.4
74.99012	9.9
79.82535	9.3
80.81242	10.4
81.90700	9.6
85.02944	10.5
89.02450	65.3
98.21991	22.0
101.02456	21.3
109.03001	12.9
113.02437	11.8
119.03499	19.4
122.03754	10.8
123.00900	20.8
125.02525	11.1
134.03822	15.9
135.03612	12.6
135.04465	59.6
166.99852	22.1
169.01419	11.4
179.03566	26.1
179.05597	10.7
261.68854	9.8
269.03033	18.6
285.11127	27.5
299.99118	30.0
300.99826	100.0
302.00253	52.9
303.00565	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	372.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77748	28.0
61.98822	100.0
65.67300	29.2
70.53097	63.2
73.00955	33.1
86.47160	31.5
135.51489	30.4
155.03270	28.9
310.35275	30.1
337.80829	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1291
Annotation	5,7,2',3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
51.23639	0.5
52.64983	0.6
59.01360	1.8
59.18631	0.5
59.47545	0.5
79.95736	0.6
86.78119	0.5
99.98827	0.6
106.04276	0.8
121.03018	0.5
133.03003	0.5
137.02444	0.8
137.17551	0.5
146.03676	0.6
147.00883	0.6
155.57964	0.6
161.02435	1.0
162.03181	1.5
167.22755	0.5
173.02423	1.0
174.03194	2.7
175.03931	0.7
176.01183	1.0
177.01872	3.3
177.05585	0.8
181.01239	0.6
190.02718	7.6
191.03299	0.8
192.00655	2.2
193.01367	0.7
201.01924	1.1
201.47362	0.6
202.02705	7.6
205.01448	0.7
215.95982	0.7
217.01416	3.1
218.02193	29.4
219.02811	3.8
221.00908	0.9
229.01422	1.2
229.05118	0.7
245.00923	1.2
246.01703	4.5
260.06967	0.8
287.05591	1.3
289.07092	0.7
307.76163	0.6
356.53232	0.5
373.12903	100.0
374.13260	10.6
375.02972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01866	0.9
57.03438	1.1
58.00590	0.8
59.01377	100.0
60.01703	0.8
61.98819	1.2
62.45011	0.5
69.76568	1.9
71.01379	45.0
72.01714	0.8
73.02952	1.9
76.63904	0.6
83.01382	2.6
85.02936	8.6
87.00870	1.0
89.02441	56.7
95.01382	3.3
99.00866	0.8
101.02439	31.3
102.02811	0.7
113.02448	19.7
119.03499	29.9
119.66286	0.6
131.03502	2.8
143.03508	3.0
149.04544	1.7
161.04553	2.7
179.05603	3.8
193.12312	7.5
211.13428	1.3
219.76193	0.6
361.79105	0.7
373.18631	45.6
374.18927	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	374.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87460	0.2
59.01371	1.5
61.98800	0.3
63.26061	0.2
70.79021	0.2
80.14008	0.2
83.57005	0.2
90.78676	0.2
97.32752	0.2
101.06089	0.9
124.07664	0.5
174.99187	0.5
189.10301	0.4
215.95891	0.3
217.00290	2.1
225.59721	0.2
232.10892	9.1
233.11325	0.3
289.17896	1.5
290.18726	2.7
315.30942	0.2
316.16641	1.4
318.18240	0.4
331.15057	0.4
358.21451	0.9
374.24457	100.0
375.24762	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	374.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88710	0.4
53.59212	0.4
57.29175	0.4
59.01378	71.3
60.01713	1.2
69.62155	1.6
71.01389	1.1
79.80834	0.5
80.51980	0.4
81.69956	0.4
82.95415	8.6
87.00874	0.6
90.97152	0.7
93.03455	0.6
100.99127	0.5
101.00941	0.4
102.19585	0.4
103.00693	0.6
118.96626	0.5
119.00196	1.2
119.85421	0.4
127.00725	0.9
132.98201	2.4
133.02945	0.8
134.03752	1.3
135.04523	5.2
137.02457	0.4
142.00554	0.5
143.00156	3.5
145.01802	0.5
153.02010	0.5
155.00209	0.6
161.02396	3.2
169.01485	0.5
173.01218	0.8
174.99240	30.4
175.99609	0.6
179.03503	3.5
189.01727	1.3
191.05536	0.8
197.01131	1.1
201.01627	2.7
217.00287	100.0
218.00630	3.2
275.01877	0.6
300.99985	1.0
314.97107	0.8
361.94962	0.4
374.99136	6.6
375.06308	8.6
375.10913	1.0
376.07037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50266	0.5
59.01376	63.1
70.95744	0.8
90.97123	0.8
96.80339	0.6
114.42646	0.6
126.45825	0.7
132.98170	1.8
136.94025	0.9
147.71162	0.7
174.99242	24.0
175.99617	0.8
201.02386	1.1
217.00282	100.0
218.00630	4.1
233.34331	0.7
248.48535	0.7
259.36398	0.7
272.85425	5.9
287.84067	1.1
288.88449	1.0
290.86465	1.8
303.82785	1.9
314.86484	11.4
315.86731	1.1
332.87524	2.1
337.93088	0.7
357.17734	0.7
374.99048	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19358	0.8
55.95052	0.7
57.03449	1.2
59.01374	17.6
60.20553	0.7
71.01381	5.9
71.05045	0.8
71.44557	0.9
73.02951	2.3
75.00863	1.7
75.32740	0.8
83.01399	0.9
83.05058	0.7
85.02951	3.2
87.00871	4.9
89.02427	1.6
93.03458	4.5
93.64473	0.8
99.00867	0.9
100.93330	0.8
101.02457	2.4
109.02927	0.8
111.04534	1.2
113.02465	2.5
115.00346	1.1
121.02945	0.9
125.02421	0.9
133.02963	8.7
134.03746	13.4
135.04527	56.0
136.04832	2.1
136.98505	1.9
153.09259	1.5
157.05078	3.3
161.02455	26.1
161.04491	6.2
162.02803	1.0
166.99664	1.3
173.04604	1.0
174.99391	1.2
175.02452	1.0
175.03859	1.2
179.03493	37.7
180.03888	1.8
189.01678	8.9
191.05569	5.9
200.99789	1.4
201.01688	27.0
201.11420	1.3
202.02020	1.3
215.03252	0.9
217.00319	2.6
259.11847	3.5
300.99875	1.4
315.14514	3.0
318.23279	1.0
345.26480	0.9
375.06964	100.0
375.20050	1.8
376.07349	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85900	0.7
71.40956	0.7
74.99089	4.2
79.45124	0.7
87.94624	0.8
101.19315	0.6
113.11099	0.9
143.05289	1.0
149.00969	0.9
159.08464	11.7
160.08675	1.1
161.06413	3.2
166.10567	0.7
180.74992	0.8
191.67519	1.1
209.01346	3.5
217.07188	1.9
261.04495	0.9
275.05939	1.7
277.07626	4.8
289.07590	2.2
291.09088	93.9
292.09235	14.2
309.10223	1.2
357.13837	3.0
359.15332	100.0
360.15485	17.3
375.18369	7.4
376.18408	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65868	0.6
74.99068	2.6
81.97620	0.5
93.00144	0.6
149.00986	0.6
149.46419	0.4
159.08461	9.9
160.08792	0.4
161.06342	1.8
175.18896	0.4
192.98163	0.4
196.71509	0.4
209.01257	1.5
217.07152	0.9
275.05923	0.6
277.07462	1.9
289.07578	1.5
291.09079	100.0
292.09222	12.9
309.10172	0.9
347.83264	0.4
357.13770	1.2
359.15329	97.2
360.15482	16.1
375.18439	7.9
376.18576	1.5
382.22061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.3
59.63235	1.7
60.43199	1.9
69.82965	6.2
95.05020	36.8
98.22557	3.8
99.92579	10.9
150.02939	2.7
174.99374	3.7
195.13910	9.4
199.31766	2.2
217.00340	10.8
223.13391	7.9
246.12354	26.4
247.12642	3.1
275.20123	5.3
278.11359	61.4
279.11606	4.9
293.21194	100.0
294.21484	9.7
315.19443	21.9
338.12207	2.9
340.11200	2.4
349.21133	2.3
358.12424	5.2
375.21500	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	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52900	1.5
57.13538	1.4
59.01115	2.2
59.01380	32.9
66.91998	1.3
67.53322	1.4
70.55901	3.3
71.01381	19.8
77.09161	1.4
83.92248	1.6
85.02946	2.4
89.02447	31.1
98.22604	1.5
101.02464	8.8
102.28898	1.4
113.02445	11.1
119.03516	10.6
119.10773	1.5
131.03510	1.6
139.00386	1.4
143.03586	2.1
161.04530	3.7
179.05594	16.9
191.05643	2.7
197.02267	3.0
215.03302	19.3
341.10867	100.0
342.11230	9.2
377.08539	82.2
377.13449	2.9
378.08929	6.0
378.47443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.01869	1.3
57.03449	0.9
59.01378	11.1
59.58468	0.7
64.40961	0.7
69.40097	3.5
71.01377	5.5
73.02946	54.9
74.03310	0.9
79.05569	0.9
83.01414	0.6
85.02948	3.1
89.02445	3.2
95.01393	3.5
95.05028	1.4
97.02972	1.2
97.06590	41.4
98.06909	1.4
101.02440	3.0
107.07789	0.8
109.02932	0.7
111.04523	1.1
113.02454	5.4
115.04005	0.7
119.03487	1.1
123.00913	4.4
123.04528	1.6
124.01648	1.8
125.02440	5.4
125.06136	1.0
135.08084	0.8
141.05588	31.4
142.05916	0.9
149.06042	0.9
150.03093	0.8
151.00371	0.9
153.09224	15.5
154.09549	1.1
155.07066	0.8
155.91103	0.7
157.33929	0.7
161.02438	1.3
161.04572	1.6
166.99829	1.1
169.01454	4.3
171.10260	9.1
171.95772	0.8
177.01901	0.9
191.03542	1.1
191.05551	1.3
197.08191	5.8
215.09235	100.0
216.09644	4.7
217.01404	1.3
229.01514	0.8
231.02913	0.8
245.00862	0.9
247.02396	2.4
257.10300	12.0
258.10657	1.3
273.00494	1.7
275.02023	1.9
287.02957	1.1
293.02939	1.5
300.99860	4.3
301.02734	1.5
307.02802	1.2
311.78278	0.7
315.02545	1.3
315.52899	3.2
316.03268	6.4
317.12296	1.0
339.06125	2.2
377.03250	2.4
377.14478	10.9
377.21906	2.6
378.04037	0.9
378.14722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42902	1.3
59.01377	16.5
61.98830	2.4
67.55632	1.2
73.22752	1.3
95.05008	4.9
99.08057	1.4
99.92569	7.0
113.09730	3.6
116.92847	1.6
121.20811	1.3
195.13904	15.0
217.12038	2.5
223.30479	1.5
246.12338	2.5
247.02487	1.3
265.14929	1.8
277.21710	17.0
278.11337	4.6
295.22769	100.0
296.23077	9.1
315.19550	1.7
317.20938	47.2
318.21246	4.2
360.14023	5.7
361.20016	3.1
377.23050	8.8
378.15134	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
59.71415	0.3
61.78544	0.3
61.98827	100.0
71.01376	0.7
74.86845	0.4
93.03442	0.4
95.01404	0.5
98.22639	0.6
109.02951	0.6
119.03535	0.5
123.00883	1.0
124.33924	0.4
125.02451	1.2
151.00426	0.6
153.05568	0.6
168.93694	0.3
169.01398	0.8
191.03548	0.4
247.02477	0.8
248.02705	0.4
275.01904	0.8
300.99875	1.1
315.02222	0.5
315.07382	1.1
315.53348	0.4
317.89697	0.4
370.89896	0.5
377.53564	1.5
378.03815	0.5
379.16010	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	379.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67924	1.4
59.01380	2.1
65.00310	1.4
69.34813	4.4
71.16076	1.3
73.25864	1.3
76.16156	1.6
93.18595	1.5
94.56223	1.5
95.82835	1.6
116.69910	1.4
123.00925	3.0
127.20391	1.4
131.01402	2.3
131.04872	1.4
132.02193	9.2
141.80530	1.4
143.01370	8.6
145.02928	1.5
147.00912	1.4
148.01651	8.6
149.02361	2.4
159.00879	6.4
160.01649	19.3
161.02467	7.0
162.03285	1.4
163.00383	1.9
163.04028	1.3
171.00891	3.9
172.01651	2.8
173.02464	3.4
175.00279	1.7
175.04042	3.7
176.01111	7.5
177.01860	5.5
178.02524	1.5
187.00362	9.5
188.01143	15.4
189.01913	6.1
191.03484	2.4
199.00339	3.0
200.01132	1.6
201.01855	2.5
202.99840	5.0
203.03513	3.0
204.00621	24.8
204.02425	2.2
205.01402	13.1
206.99358	1.7
214.99883	18.6
216.00595	25.3
217.01315	7.8
219.02956	3.0
220.03714	5.3
226.99864	2.8
230.99408	6.6
231.02814	2.9
232.00122	18.9
233.00774	3.3
242.99348	18.7
244.00076	12.5
245.00903	6.0
247.02486	5.5
248.03281	1.5
258.98840	6.2
259.99564	9.2
263.01990	8.0
264.02710	16.2
270.98792	10.6
275.01984	13.1
276.02463	1.9
291.01471	5.4
303.01456	100.0
304.02057	8.3
319.01004	11.6
320.01514	2.1
335.04175	4.6
347.00421	70.9
348.00717	5.9
361.02036	3.1
379.03055	92.7
380.03357	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	379.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.8
69.35381	2.8
69.35773	1.5
71.01377	4.9
73.02941	3.1
82.02979	1.6
85.02953	2.0
89.02431	4.0
98.22646	1.5
98.59763	0.8
101.02440	3.2
109.96277	0.7
113.02457	2.5
121.06575	7.1
122.06930	1.3
125.02419	0.9
136.03999	0.8
137.09727	100.0
138.10046	5.6
143.03488	0.7
143.07133	2.4
155.10770	9.5
156.11166	1.1
161.04547	3.9
171.10327	4.2
197.02222	20.6
199.09793	4.0
213.11334	1.0
217.10811	15.1
218.11043	0.9
248.09140	0.9
259.11768	2.2
270.06525	0.8
284.48727	0.8
285.08737	4.2
317.11389	1.3
379.11310	1.6
379.16000	20.2
379.23450	1.4
380.16278	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	379.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44080	0.5
59.01379	11.4
62.93929	0.5
67.51233	0.5
69.13248	1.0
69.13652	2.5
71.01373	3.4
78.17865	0.5
85.02948	0.9
87.00874	100.0
88.00394	3.8
88.01219	2.0
88.04031	2.8
89.02433	4.2
96.78250	0.5
101.02438	1.7
113.02448	2.9
119.03495	2.2
123.00885	1.0
124.24802	0.5
125.02470	0.6
161.04527	0.7
174.99304	0.8
178.98499	0.7
217.00322	1.9
220.99562	2.1
234.05028	0.6
255.31401	0.6
343.41608	0.5
375.57919	0.5
379.08411	0.6
379.16452	0.7
399.44742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	1.8
57.03445	1.0
59.01380	62.7
59.47134	1.0
61.98834	1.3
67.77631	0.8
69.96449	2.5
71.01382	28.0
73.02959	8.0
83.01394	1.7
83.05019	3.0
85.02973	5.8
87.00867	1.4
89.02442	30.9
90.02827	1.0
95.01393	2.2
97.06554	1.1
98.22586	1.1
101.02442	18.2
113.02441	12.0
119.03509	10.0
125.06081	2.0
131.03546	2.8
137.09738	9.2
139.07620	1.4
143.07146	6.8
149.04570	3.4
149.05901	0.9
155.10773	36.2
156.11084	2.2
161.04535	2.4
179.05592	2.8
181.08696	3.3
190.99857	1.0
199.09767	46.3
200.10123	2.2
217.10802	15.9
247.11993	1.2
259.11856	4.6
263.20834	0.9
303.01483	1.5
338.93884	0.9
379.16071	100.0
380.16364	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92719	0.6
59.01377	6.2
61.98820	1.9
69.97708	2.5
71.01373	3.9
73.02945	24.2
76.04401	0.7
82.68243	0.8
85.02944	1.4
89.02446	2.8
92.83890	0.7
95.01426	1.4
97.06599	6.4
98.22598	0.8
99.08144	1.1
101.02443	0.9
104.60210	0.7
106.46701	0.9
107.87696	0.8
113.02454	3.1
119.03490	0.8
123.00878	1.6
125.06087	11.2
137.09738	1.3
138.69031	0.7
143.07135	80.1
144.07478	2.3
155.10779	73.1
156.11142	4.1
158.69351	0.7
161.04625	1.1
169.01466	0.9
171.10262	1.2
196.37529	0.8
199.09773	10.7
217.10802	100.0
218.11151	6.1
241.10794	0.8
246.24884	0.7
259.11804	8.2
260.12274	1.1
269.03061	1.0
300.99966	4.5
303.01315	0.9
347.51407	0.7
376.24930	0.7
379.16000	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.7
61.98832	9.4
66.18839	0.7
71.01380	11.1
71.19998	0.8
72.24074	0.9
72.99285	0.9
73.02930	1.7
83.01392	1.9
85.02966	2.7
87.00872	2.2
89.02447	11.3
95.01387	0.9
101.02441	7.6
108.33966	0.8
113.02436	5.6
119.03491	2.8
123.00893	0.8
125.02425	1.2
125.09751	1.0
137.09679	3.6
139.11295	0.9
155.10771	29.7
156.11134	1.8
157.16612	0.8
169.01453	1.1
171.10277	18.6
172.10631	1.8
173.11819	2.4
190.02074	0.7
199.09761	8.8
199.13377	1.2
201.06633	1.2
201.11256	3.3
213.11320	6.3
217.10799	46.7
218.11194	2.6
228.78355	0.9
231.12291	0.9
232.00641	0.8
232.12750	0.8
259.11786	6.6
270.06500	1.3
285.08862	5.2
300.99734	1.3
317.11462	2.8
319.13919	2.2
379.16022	100.0
380.16467	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	380.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60748	0.4
59.01379	19.4
61.98842	1.1
71.01383	33.8
71.05020	6.4
73.02930	1.5
74.26730	0.5
77.21321	0.5
83.01363	0.9
84.08141	0.5
85.02944	3.1
85.44846	0.5
88.04030	4.8
89.02445	7.8
95.01392	1.0
99.04516	2.0
101.02439	9.2
113.02444	3.6
116.03548	1.1
116.07139	1.6
119.03513	3.5
128.07196	2.6
132.33156	0.6
146.08235	55.7
147.08574	1.3
161.04518	1.4
200.09259	1.0
200.37192	0.5
217.00293	0.9
218.10204	0.8
228.45116	0.5
263.11191	0.5
308.13461	5.2
362.14462	2.0
380.15607	100.0
381.15958	8.9
400.31558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
59.96709	1.8
60.97519	1.0
61.98823	0.8
69.88860	1.6
70.23914	0.6
73.33719	0.5
74.98635	0.8
74.99072	24.4
91.02206	41.8
92.02142	1.1
93.00135	12.5
98.21915	0.9
125.13694	0.6
141.07423	0.9
143.05353	0.9
150.92598	0.6
159.08467	100.0
159.52281	0.5
160.08670	4.8
161.06400	9.3
249.04684	0.6
332.90790	0.7
365.10889	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	381.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.9
59.01376	23.6
59.89086	0.8
62.60075	0.8
65.00327	0.9
69.04922	0.7
71.01383	11.1
71.44199	0.8
72.99316	1.2
73.02940	3.2
75.00861	1.4
83.01377	1.6
83.05031	2.2
85.02950	5.4
87.00869	1.6
88.96381	0.9
89.02455	5.4
93.03424	1.0
95.01396	2.9
97.02954	0.8
97.91399	0.7
99.00863	0.9
101.02457	8.1
101.06143	1.0
105.76539	0.8
111.00858	0.9
113.02443	5.2
117.03461	1.6
119.03491	1.4
123.00869	2.9
124.01643	1.0
125.02444	3.0
130.06638	1.1
133.02951	1.6
137.02461	2.4
143.10783	2.6
145.02939	2.2
145.05060	1.7
147.04521	1.5
157.02939	1.5
158.06169	2.5
161.02441	2.9
161.04610	2.5
166.99911	1.0
168.00606	0.8
169.01471	1.8
171.00845	1.5
172.01663	2.0
173.02423	3.3
174.03065	1.0
175.04071	1.5
177.01988	0.9
185.02390	1.2
189.01942	1.8
190.02739	1.0
191.03537	1.1
191.05582	1.0
199.00345	0.9
200.01183	2.2
201.01888	6.3
201.11340	2.7
202.05092	1.2
203.03497	1.5
213.01973	1.1
219.03127	1.0
219.12407	8.3
226.99881	1.9
228.00615	2.8
229.01434	8.3
230.02138	2.7
231.03024	4.8
243.02985	1.0
244.04404	0.8
245.00935	1.7
247.02495	4.7
257.00958	3.6
258.01599	1.5
270.99023	1.0
273.00330	2.3
274.01376	1.7
275.01993	6.8
298.98151	1.5
299.98987	2.1
300.99893	17.2
302.00214	1.5
306.02307	1.3
321.15634	3.6
353.02359	2.3
353.52261	1.2
367.02258	1.3
372.01584	1.0
372.51379	1.3
373.02014	1.7
381.01709	7.0
381.17673	100.0
381.52054	9.8
382.02536	11.6
382.10675	1.2
382.17953	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	381.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03422	0.5
57.57827	0.5
59.01378	100.0
60.01708	1.2
69.22577	0.9
69.22978	1.7
71.01372	2.9
73.02951	1.6
83.01411	0.6
85.02951	1.9
98.21871	1.0
101.02465	3.7
113.02476	1.3
113.52544	0.4
145.02979	0.8
157.97231	0.5
161.04662	3.1
314.66876	0.4
321.19147	9.7
322.19406	0.5
345.15567	0.6
381.11948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18684	0.8
57.03455	1.5
59.01378	16.0
69.08228	2.5
69.08649	1.9
71.01376	9.0
73.02949	2.2
75.00866	18.7
75.30173	0.6
83.01403	1.5
85.02967	4.2
87.00879	14.9
89.02445	6.2
90.20966	0.6
95.01385	1.5
99.00903	1.3
101.01829	1.1
101.02429	5.9
108.02217	0.9
111.00930	0.8
113.02463	3.9
114.91331	0.7
115.05576	5.0
116.05052	3.1
119.03487	1.8
119.05003	1.4
123.00813	1.2
123.08114	0.7
125.02428	0.8
130.06607	8.0
132.04558	27.0
133.02867	1.0
133.04916	1.1
138.72701	0.7
144.04553	1.3
146.06061	0.8
149.06125	1.1
151.07600	2.0
157.05235	1.4
158.06110	100.0
159.06454	4.9
161.09758	0.9
163.04025	1.1
163.07611	1.7
165.09259	1.1
169.01385	1.5
174.05589	3.0
176.07132	1.0
177.01962	7.8
179.10791	1.6
188.08392	1.1
202.05095	40.8
203.05458	2.7
203.10779	5.8
220.06139	7.5
221.11797	4.7
237.06117	7.7
247.02390	0.8
249.06183	8.6
257.01212	0.9
262.07175	1.6
296.11365	1.1
300.99689	1.0
301.04654	0.8
337.05524	1.0
382.11395	59.8
383.11722	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50089	0.3
59.01374	2.1
71.01377	1.0
71.28236	0.5
85.02943	8.4
86.08806	0.4
87.00861	1.9
89.02435	0.8
93.03453	2.7
99.04505	0.6
104.53878	0.4
106.76982	0.4
109.02912	0.8
111.04531	1.1
127.03979	2.1
171.02936	0.8
173.04588	0.9
191.05597	100.0
192.05916	5.3
206.81718	0.4
234.40758	0.3
334.50589	0.4
398.76282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
63.37930	0.6
70.77791	0.7
83.05054	0.9
85.02957	9.4
87.00858	1.8
93.03432	2.9
108.59867	0.6
109.02970	0.9
111.04495	1.4
118.76091	0.6
127.04003	2.5
130.19302	0.7
173.04628	1.2
186.58774	0.6
191.05614	100.0
192.05983	4.3
308.40170	0.6
345.79431	0.6
403.59537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49944	0.6
55.53438	0.7
59.01380	5.4
61.98823	2.2
62.41036	0.7
62.60882	0.5
70.14368	0.7
70.14697	1.3
71.01385	2.4
85.02945	1.5
89.02444	3.1
93.03474	1.3
95.01387	7.8
96.41172	0.6
97.06570	3.3
98.22537	0.7
101.02465	1.2
109.02953	0.6
111.04504	1.4
113.02446	0.9
119.03509	1.2
119.05053	1.5
123.00883	100.0
123.07571	0.6
124.01674	66.8
125.01953	1.0
133.02933	2.1
137.02425	1.7
142.00705	3.1
146.03732	0.8
147.04526	2.0
149.02434	1.8
149.06065	1.5
150.03198	0.9
159.04532	1.2
161.02470	0.8
162.03229	1.1
163.04001	5.4
165.05577	2.8
169.01358	0.6
173.02449	0.9
173.04581	1.0
174.03223	1.9
175.07654	2.3
176.04778	0.8
177.05562	76.4
178.05988	4.8
185.01285	2.4
191.03497	17.1
191.05344	1.0
191.07170	1.0
192.04112	1.5
192.07961	2.2
203.07135	18.9
220.07419	18.3
220.10883	1.5
221.08174	48.6
222.08446	3.0
383.09348	0.7
383.13345	15.3
383.17194	1.4
384.13586	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	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.87589	1.8
59.01370	15.3
61.98820	7.1
63.25165	1.8
63.76936	2.1
69.28850	11.5
71.01401	10.6
73.02940	3.4
76.03148	1.8
85.02937	4.7
89.02463	6.8
93.03452	33.4
95.01385	4.1
97.06628	2.6
101.02454	8.3
109.02977	3.4
113.02442	3.7
119.03515	2.8
123.00865	21.4
124.01694	21.2
125.02428	7.4
133.02969	2.4
137.02448	88.4
137.09682	2.7
138.03091	3.0
147.08199	2.2
149.02440	9.6
150.03220	3.7
152.66728	2.1
161.04558	3.2
163.04004	58.0
163.07643	4.7
164.01167	19.3
164.04335	4.1
169.01479	7.2
174.03221	3.1
175.03958	2.3
177.01938	14.5
177.05537	5.9
178.02292	2.1
179.10774	7.4
191.05583	4.9
191.07108	23.8
191.10759	4.0
192.07901	65.6
193.08682	57.8
203.07137	18.5
203.10768	4.4
220.07390	46.8
220.10921	3.0
221.08182	100.0
221.11526	15.2
222.08528	6.0
222.12032	2.2
233.08185	4.5
300.99863	3.4
323.17297	2.9
383.13333	44.8
384.13846	5.5
400.37241	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
53.12968	0.3
54.08362	0.3
59.01376	1.5
65.03944	0.3
68.89585	0.2
71.01389	0.8
89.02449	0.4
92.71352	0.3
93.03455	57.6
94.03796	1.8
106.92365	0.3
137.02440	100.0
138.02785	3.9
204.00195	0.3
272.11383	0.3
292.08542	0.3
307.10693	0.3
351.09845	0.5
365.98752	0.3
383.13400	1.8
384.13831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
50.62248	0.8
51.80407	0.9
54.77841	0.8
56.24848	0.8
57.03436	3.0
58.18682	0.9
59.01380	7.4
59.30788	0.8
61.98826	1.0
69.90659	1.5
69.90997	1.8
71.01385	4.4
73.02937	1.5
78.95900	4.5
83.22775	0.8
85.02952	3.6
87.00859	0.8
89.02460	1.5
93.03458	50.8
95.01376	1.1
95.43183	0.9
101.02455	2.5
107.01398	1.6
108.02213	1.2
109.02985	0.9
112.28537	0.8
113.02438	1.8
119.05022	35.5
120.05379	0.9
123.00869	3.4
123.04546	1.3
124.01644	2.7
125.02436	15.6
137.02444	100.0
137.09743	0.9
138.02809	3.4
140.27881	0.9
149.02432	1.4
151.00284	1.3
151.03990	1.0
152.99542	3.9
153.01936	1.4
161.04596	2.0
163.04007	10.0
163.07657	3.4
169.01434	6.5
175.04030	2.3
176.44038	0.8
177.01918	2.5
179.10825	4.7
188.04826	1.1
191.05612	1.1
193.01454	0.9
201.01918	1.0
203.10796	2.9
217.05086	1.3
220.11014	4.4
221.08206	11.7
221.11763	10.0
222.08556	1.2
230.99591	1.5
232.03046	1.9
241.04971	1.1
285.03940	5.4
286.04300	1.1
287.54974	1.8
300.99930	1.2
303.05161	4.0
308.03564	6.9
309.11722	0.8
347.16977	1.5
383.00644	9.5
383.13336	26.4
384.13647	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	383.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	1.2
69.61932	1.9
71.01376	11.7
85.02956	1.2
89.02441	19.0
95.01385	0.7
101.02438	4.3
113.02454	5.0
119.03490	6.2
131.03571	0.8
134.16356	0.5
143.03551	1.6
147.34779	0.6
161.04546	1.6
179.05585	6.1
182.12282	0.6
330.50772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03447	11.9
59.01377	10.7
61.98815	1.2
65.07520	1.0
67.01897	2.0
68.99805	1.1
69.24334	5.9
71.01378	8.6
72.99318	2.1
73.02909	1.0
75.00874	2.3
83.01418	1.1
84.02185	2.2
85.02949	100.0
86.03293	3.1
87.00879	2.7
89.02444	3.0
93.03462	7.6
95.29478	0.9
101.02440	1.8
102.56590	1.0
103.00363	1.6
109.02935	1.3
111.00879	3.2
119.05045	1.1
125.02381	1.0
129.01939	8.6
133.01440	2.8
134.03761	5.3
135.74539	1.0
147.02989	8.8
155.03424	1.0
159.55968	0.9
163.04048	1.0
165.05608	1.7
173.00931	1.5
173.04555	12.4
191.01978	29.8
191.05595	10.9
192.00677	2.7
193.01442	1.5
193.04973	4.7
194.02184	1.4
207.02988	2.2
209.03017	45.5
210.03369	1.3
211.06090	4.4
217.01422	1.1
247.02556	1.6
250.91739	1.1
311.09488	1.0
312.04926	0.9
327.07205	4.9
385.03043	1.7
385.07224	1.1
385.11465	4.1
386.11584	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	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74233	0.7
55.01871	1.6
56.42178	0.6
57.03447	12.0
59.01376	7.1
71.01375	4.3
72.99319	0.9
75.00873	1.2
83.01392	1.9
84.02164	1.7
85.02945	100.0
86.03282	2.1
87.00858	1.6
89.02450	0.8
93.03448	2.7
101.02430	1.1
103.00370	1.7
111.00875	3.7
129.01941	9.1
133.01390	1.3
134.03734	2.8
147.02980	11.4
161.02438	0.8
173.00874	1.4
173.04504	2.3
191.01970	30.0
191.05536	3.8
191.07101	0.7
193.05052	2.4
195.12512	0.8
209.03012	18.9
245.00511	0.8
275.02094	0.6
327.07343	0.7
362.82071	0.7
385.03116	0.9
385.07269	0.8
385.11636	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33432	0.7
57.03452	1.8
59.01378	8.3
61.98830	14.0
69.38169	1.8
69.38560	1.6
71.01407	2.3
72.99314	1.5
85.02956	13.3
87.00877	0.9
89.02444	1.6
93.03447	0.9
95.01402	0.9
113.02454	0.7
119.05032	98.1
120.05335	3.9
125.02449	0.9
129.01930	1.5
147.02946	1.5
153.46178	0.8
161.02461	0.8
161.08150	1.0
163.04008	100.0
164.04340	4.4
174.88780	0.7
189.01750	0.9
190.02591	1.0
191.01982	4.8
191.03534	1.2
191.05540	1.6
192.00653	3.1
194.02350	0.9
207.03015	1.3
209.03061	2.3
217.01462	0.9
221.04546	0.9
234.01604	1.2
247.02530	1.4
325.09308	1.3
327.07208	3.2
367.38702	0.9
385.03586	1.5
386.11023	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	385.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72926	0.4
55.01880	1.5
57.03446	8.9
58.00599	1.2
59.01377	100.0
60.01707	1.2
71.01379	56.2
71.05027	0.5
72.01715	0.9
72.99303	1.6
73.02945	4.3
83.01390	2.4
83.05025	1.5
85.02947	11.8
87.00872	5.1
89.02441	69.7
90.02795	1.1
95.01396	3.4
97.02980	0.6
99.00897	0.9
99.04515	4.4
101.02441	35.5
102.02777	0.8
113.02447	22.6
113.06078	0.6
114.02800	0.5
119.03500	33.1
120.03819	0.6
121.06564	0.5
123.08138	1.2
124.37324	0.4
125.02465	0.7
131.03487	3.2
135.08170	0.8
135.90147	0.3
137.09727	3.5
143.03496	4.4
147.08124	0.5
149.04559	2.3
150.06842	1.9
153.09210	3.3
159.03017	1.0
161.04559	6.5
161.09702	0.5
163.11301	0.6
165.09198	53.0
166.09549	3.0
171.08147	0.6
175.07672	0.8
177.12881	0.5
179.05594	6.4
187.11290	8.6
188.11650	0.6
189.09203	0.5
205.12349	5.8
206.12717	0.4
207.13577	0.4
209.32138	0.4
223.13371	4.8
242.42479	0.4
295.15430	0.8
320.04462	0.4
364.87201	0.4
385.18668	7.5
386.18863	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	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03445	8.6
58.00591	1.2
59.01378	100.0
60.01712	1.1
69.26879	2.4
71.01379	55.7
71.05022	0.4
72.01714	0.8
72.99313	1.1
73.02953	4.3
76.80675	0.4
77.59914	0.4
78.05027	0.4
82.24895	0.4
82.25679	0.4
83.01379	4.4
83.05034	1.3
83.96967	0.4
84.02173	0.5
85.02951	12.8
85.89127	0.4
86.00083	0.5
87.00869	4.7
89.02443	63.8
90.02767	0.8
95.01379	3.5
97.02964	0.8
99.00887	1.4
99.04520	3.5
100.04853	0.4
101.02441	37.9
102.02792	0.8
109.02921	0.5
113.02452	23.0
113.06081	0.9
114.02791	0.6
114.83772	0.5
119.03503	32.0
120.03804	0.8
123.08157	1.2
125.02466	2.7
131.03490	2.4
134.19434	0.4
135.08153	0.5
137.09715	2.3
143.03505	4.4
149.04605	2.0
150.06848	1.5
153.09213	2.1
159.02994	0.7
161.04573	6.9
161.09755	0.6
163.11279	1.4
165.09206	43.3
166.09583	2.1
169.01381	2.4
172.10434	0.5
175.07661	0.8
179.05615	5.6
185.84358	0.4
187.11282	8.3
188.11690	0.5
190.10020	0.5
205.12321	11.5
206.12686	0.9
223.13393	4.3
385.18640	23.5
386.19052	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03203	0.5
57.03450	4.3
57.33378	0.5
58.00589	0.6
58.41896	0.5
59.01376	16.3
71.01381	7.1
72.23328	0.5
72.99316	2.3
73.02933	0.9
84.01798	0.5
84.02171	4.7
85.02937	2.3
87.00877	16.0
89.02441	7.5
95.01383	0.5
95.86272	0.5
98.00099	1.0
98.22642	1.5
99.00858	1.1
100.98784	0.4
101.02431	3.0
103.00390	1.8
113.02427	3.1
114.62514	0.5
115.00372	38.9
116.01141	1.3
117.30641	0.5
119.03523	2.7
161.13374	3.0
163.11311	1.4
165.09235	0.8
169.01453	0.6
176.54265	0.5
179.05609	0.7
179.10779	1.6
181.12340	1.1
183.47137	0.4
185.13402	1.1
187.11359	0.5
193.03514	11.2
194.03847	0.5
198.96130	0.4
203.14395	8.3
205.12340	1.3
223.09836	0.7
245.15259	0.6
247.13380	18.6
248.13725	2.1
249.14909	3.2
256.11349	0.6
265.14432	11.2
266.14752	0.7
267.43475	0.5
271.13373	2.3
275.16559	0.6
277.14420	4.9
278.14850	0.7
289.14456	5.6
290.14920	0.5
318.07016	0.5
342.25327	0.5
344.16016	0.5
349.16534	5.4
350.17023	0.8
367.17599	0.5
385.18643	100.0
386.14056	0.3
386.18951	10.7
386.23553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65566	0.4
57.03445	4.5
59.01376	19.9
61.38999	0.4
65.27020	0.4
66.36885	0.4
71.01379	7.9
72.99304	2.5
73.02939	0.8
75.13176	0.4
83.01392	0.6
84.02168	6.1
85.02946	2.7
87.00329	0.8
87.00870	16.1
89.02440	7.2
95.01372	1.4
95.01948	0.4
97.02974	0.5
98.00088	1.2
98.22686	1.1
99.00858	1.8
99.04565	0.6
101.02440	4.5
103.00352	2.6
113.02455	3.9
115.00368	37.6
116.01220	0.6
119.03508	2.0
142.14679	0.4
143.03448	0.6
151.11263	0.6
161.04498	1.0
161.09726	0.6
161.13368	3.2
161.91046	0.4
163.04007	0.5
163.11288	1.7
170.08536	0.4
175.11206	0.8
179.05649	1.3
179.10837	1.3
181.12318	2.3
185.13376	0.9
189.12917	0.5
190.09937	0.6
193.03517	10.6
203.14383	7.9
204.14764	0.6
205.12262	1.2
245.15446	0.9
247.13362	18.5
248.13698	1.0
249.14915	3.4
265.14404	10.6
266.14752	1.1
271.13440	2.4
277.14386	3.6
289.14447	5.3
290.14923	0.6
308.53613	0.4
314.72919	0.5
342.69510	0.5
349.16489	6.6
350.16891	0.5
357.21790	0.4
375.98050	0.5
385.18634	100.0
386.18982	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	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39127	0.6
53.05688	0.6
55.50354	0.6
57.03451	5.7
58.00587	0.8
59.01377	33.6
60.01697	0.7
68.81737	0.5
69.03471	1.2
69.43941	2.5
71.01376	10.8
72.99296	3.1
73.02943	3.1
83.01402	1.8
84.02165	6.2
85.02945	4.3
87.00874	16.7
89.02441	7.8
95.01395	1.0
98.00082	0.8
99.00862	1.9
101.02455	6.6
103.00368	1.3
108.02264	0.7
111.08131	0.7
113.02451	5.5
115.00372	35.4
116.01217	0.9
119.03495	2.7
161.04530	1.4
161.13333	2.1
163.11296	4.0
165.09253	0.8
175.02461	0.7
179.10738	1.1
181.12343	6.0
185.13358	1.2
187.11336	1.3
189.12950	1.0
190.10004	0.9
193.03514	11.3
203.14412	7.2
205.12366	1.7
247.13374	14.9
247.15912	0.9
248.13707	1.4
249.14938	3.0
256.10974	0.9
265.14465	10.7
271.13318	1.3
277.14441	5.6
289.14441	5.3
299.70264	0.7
349.16464	4.9
350.16644	0.7
367.17398	1.1
385.18649	100.0
386.18982	11.3
387.00159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03442	2.2
58.00586	1.2
59.01377	100.0
60.01708	1.0
61.98823	0.7
64.33089	0.4
65.97666	0.6
69.43964	2.1
71.01379	66.4
72.01697	0.6
72.99285	2.3
73.02938	7.1
75.00852	0.5
83.01404	3.7
84.00928	1.0
85.02948	17.0
87.00871	6.9
89.02442	67.6
90.02769	0.6
95.01369	4.6
97.02932	0.6
99.00886	2.2
101.02441	37.7
108.02149	0.7
109.02946	1.5
111.00874	1.1
113.02448	26.6
114.02747	0.9
114.03748	0.4
117.03487	0.8
119.03502	30.7
121.06583	1.3
121.64719	0.4
123.00888	0.5
123.08170	1.2
125.02417	1.6
129.01932	1.3
131.03493	2.9
135.08109	0.6
137.09732	6.3
143.03522	4.0
145.02975	2.6
147.08160	0.6
149.02400	2.0
149.04532	2.6
149.09673	0.7
153.09192	4.1
159.02948	1.2
161.04564	12.3
161.09656	1.9
163.03967	1.0
164.04756	2.0
169.01440	1.0
171.08142	1.1
172.08879	0.7
175.00357	1.0
176.08394	1.9
177.12817	0.6
179.05626	10.8
179.07048	0.9
179.10583	0.5
187.11275	13.3
188.11563	0.6
189.09132	1.0
190.02637	1.8
190.09975	3.2
191.03755	0.7
191.05580	4.6
203.10695	1.0
204.11560	3.0
205.04974	1.7
205.12315	18.6
206.12624	1.3
208.03627	1.0
215.10748	1.2
223.06084	6.9
223.09647	1.9
223.13295	1.0
225.33020	0.5
227.07010	1.4
233.11777	6.6
251.09290	0.6
259.13281	2.2
265.07111	0.9
277.14392	3.8
278.14725	0.5
295.08231	3.5
296.08548	0.6
325.09302	0.7
341.06381	0.6
367.12885	0.5
385.18735	5.0
385.23154	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	385.1865
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	2.2
57.03446	2.5
58.00582	1.0
59.01377	100.0
60.01710	1.1
69.03465	1.0
71.01377	62.4
71.44997	0.6
72.01727	1.0
72.10368	0.6
72.83188	0.5
72.99315	2.2
73.02941	8.9
75.00864	0.6
83.01376	4.7
85.02943	17.7
86.00147	0.7
87.00863	8.9
89.02440	65.4
93.03464	1.3
95.01377	4.5
95.26699	0.5
97.02957	1.0
99.00882	2.4
101.02438	42.2
108.02200	2.2
109.02958	4.4
111.00875	1.2
113.02447	27.0
114.02788	0.7
117.03474	1.5
119.03496	31.2
120.03880	0.9
121.02957	0.6
123.08195	1.2
125.02483	1.6
129.01984	1.2
131.03505	3.5
137.09702	4.2
143.03540	4.7
145.02942	5.2
149.02454	1.7
149.04619	1.8
149.09738	0.8
153.09232	2.9
159.02956	1.3
161.04570	12.1
161.05983	0.9
161.09712	3.0
163.04129	1.1
163.11317	0.5
164.04849	1.6
171.08203	1.4
173.04640	0.9
175.00246	0.6
175.07726	0.7
175.11362	0.8
176.08411	3.5
177.15245	0.6
179.05611	9.3
179.07115	0.6
179.10852	0.6
187.11272	19.9
188.11638	1.4
189.01910	0.8
189.09128	1.1
190.02676	1.1
190.09969	4.9
191.05580	13.1
192.06039	0.8
203.10875	1.0
204.11548	5.7
205.05084	1.8
205.12318	23.8
206.12694	1.8
208.03793	0.8
215.10846	2.2
223.06145	2.7
223.09843	0.8
223.13293	0.9
227.07187	2.4
228.07585	0.7
233.11813	10.0
234.12265	1.0
235.93678	0.6
247.13446	1.1
259.13495	3.0
277.14471	6.0
295.08368	2.3
385.18787	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	385.1868
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.02501	0.7
53.46361	0.6
54.73665	0.6
57.03453	1.3
58.00600	1.6
59.01377	100.0
59.98532	0.8
60.01712	0.8
69.70415	2.5
71.01379	53.2
72.01714	1.0
72.99335	1.4
73.02953	1.1
81.07122	2.0
83.01408	2.2
85.02942	11.5
86.02766	0.7
87.00865	3.2
87.80663	0.6
89.02441	72.2
90.02761	0.9
92.77473	0.7
93.30556	0.6
95.01376	3.4
98.03735	1.1
98.21897	0.9
99.04513	8.7
100.53512	0.7
101.02438	28.4
106.71154	0.6
113.02445	21.5
119.03500	28.7
125.02460	0.8
131.03543	2.3
143.03476	4.4
149.04602	2.9
161.04599	3.0
161.13332	3.3
179.05611	9.1
205.12318	48.4
206.12720	2.9
249.10095	1.0
341.18765	1.3
385.18207	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	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13458	0.8
60.29292	1.0
61.98829	100.0
63.68436	1.0
81.98431	0.9
101.02411	1.0
130.08739	4.5
211.81387	0.9
298.89426	0.9
300.99835	1.2
322.20300	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	386.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07795	0.6
57.30201	0.6
59.01378	13.0
60.01709	1.8
61.01814	0.9
61.18786	0.6
61.77562	0.6
61.98829	100.0
65.55928	0.6
71.01382	1.9
85.02970	2.0
89.02460	2.4
90.02778	0.8
98.21703	0.7
101.02428	0.8
108.02202	1.5
109.02980	1.6
113.02451	0.7
119.05020	1.0
161.04616	0.9
163.04039	1.0
164.04376	1.0
173.04497	0.9
191.03677	0.6
191.05539	0.8
192.00560	0.6
197.79941	0.7
247.02557	0.8
254.69107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
69.23345	2.4
71.01356	0.9
73.02953	0.8
89.02442	0.8
98.21943	1.0
101.02441	0.7
101.25661	0.5
107.93283	0.5
108.04556	3.7
122.06113	3.5
131.03769	2.7
132.04597	2.3
132.35303	0.5
133.05377	0.7
134.06148	0.6
136.03986	1.2
140.02216	0.4
145.05324	0.8
145.67436	0.5
147.03247	1.5
147.06981	0.5
148.04031	0.5
150.05589	0.6
158.02444	1.1
159.03220	3.5
160.04041	19.4
161.04724	2.2
162.05585	1.7
172.64293	0.5
174.05643	0.8
176.03543	0.6
176.07117	1.1
186.01942	1.2
187.02739	0.8
188.03522	11.3
189.04027	1.0
190.05122	1.4
195.06935	0.5
201.57855	0.5
202.05025	1.0
204.03011	5.9
210.05573	0.6
210.07999	0.7
211.08487	0.5
211.12444	1.4
212.07207	1.6
213.06653	0.5
218.04578	12.9
219.05284	2.5
220.06213	1.2
224.09444	4.2
225.05594	1.4
226.03792	0.9
227.08223	0.8
237.06709	1.2
238.08897	0.6
238.11113	0.9
239.06064	0.9
239.08264	0.6
239.11859	5.3
240.05473	1.4
240.10248	1.8
241.06274	0.8
241.09831	0.7
243.11310	1.2
250.08186	0.4
251.08305	2.4
252.08997	3.0
253.05823	2.2
254.06834	2.3
255.07707	3.7
255.11497	0.7
265.09799	1.3
266.08212	1.4
267.04562	0.6
267.07855	2.4
267.11346	16.6
268.09760	3.2
269.09280	4.9
278.06784	0.5
280.04840	0.7
281.05676	12.3
281.08896	1.1
282.06195	1.8
283.07297	1.2
283.10828	4.7
284.11572	0.7
293.09305	2.3
294.07150	0.8
295.07199	5.7
296.08002	6.4
309.08826	3.8
311.10358	100.0
312.10684	10.5
315.09973	2.3
337.08267	11.2
338.08771	0.8
343.13040	3.5
355.09335	42.1
356.09686	4.0
369.10983	1.0
387.11945	17.3
388.12164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01978	0.8
59.01369	2.7
69.85320	2.5
71.01371	1.8
83.33920	0.7
85.02945	1.8
101.02429	1.8
104.05066	1.0
108.04559	4.8
113.02456	3.5
117.18906	0.8
122.06133	6.5
125.80869	0.7
131.03751	3.2
132.04572	3.0
146.06114	1.5
147.03329	1.5
150.05614	1.3
152.07150	4.1
158.02464	1.7
159.03255	4.0
160.04053	19.2
161.04564	2.6
162.05597	2.4
181.12343	1.8
186.01982	2.1
188.03529	13.0
189.04173	0.8
190.05162	3.9
204.02989	6.5
208.49664	0.7
210.05609	0.9
210.07701	0.9
211.08812	0.9
211.12396	1.6
212.07301	1.7
218.04578	12.7
219.05225	2.1
220.05951	1.2
221.10626	0.8
222.07649	1.1
223.13354	1.4
224.07433	0.9
224.09546	2.7
225.11342	11.5
239.11812	5.6
240.10344	2.9
240.19116	0.9
241.06200	1.0
243.11363	1.6
251.08344	2.5
252.06586	1.3
252.08876	4.3
253.06299	2.7
254.07014	1.9
255.07629	3.6
265.09686	0.9
266.08264	1.2
267.08084	1.6
267.11337	17.1
268.09723	4.0
269.09296	5.1
280.04895	0.9
281.05701	13.9
281.08804	0.9
282.06140	1.6
283.07251	3.0
283.10907	4.0
293.09265	2.5
294.07162	0.9
295.07245	5.2
296.08020	6.0
309.08713	4.1
311.10358	100.0
312.10699	11.0
315.09805	0.8
332.23016	0.8
337.08292	13.6
343.12906	2.3
355.09344	45.9
356.09732	6.0
387.11679	9.7
387.15851	2.4
387.23785	2.1
388.12158	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	387.1562
Annotation	GS-3
Peak:m/z	Relative Intensity
56.93850	0.3
59.01377	4.0
61.98822	0.3
64.78139	0.3
65.66347	0.3
69.13073	0.7
69.13480	1.3
71.01373	0.4
73.02937	0.4
75.96090	0.4
92.05058	0.5
94.06621	2.1
104.05067	0.4
104.78903	0.3
106.06673	0.4
107.03772	11.7
108.04142	0.4
115.89175	0.3
116.05061	0.5
120.04570	1.3
121.05357	1.2
122.06124	49.7
123.06422	1.8
124.07661	0.6
124.67780	0.4
130.03001	3.5
131.03778	7.0
132.04562	9.7
133.65273	0.4
134.06126	1.7
139.02748	1.2
146.06076	2.1
147.03284	0.8
148.04039	1.8
150.05615	0.9
152.07172	100.0
153.07552	3.7
158.02477	12.1
159.02835	0.6
160.04018	2.3
162.05615	5.0
164.07159	1.1
171.10284	0.7
175.02682	0.9
176.03546	2.3
181.12297	0.5
190.05098	51.5
191.05434	2.9
192.06689	1.1
215.12978	0.4
222.07712	42.1
223.08083	2.7
225.11346	1.2
234.07782	2.0
249.06741	0.4
250.07640	0.4
251.08391	0.5
265.09814	0.5
281.17706	0.4
289.07190	0.8
295.10965	0.5
296.11652	0.8
297.12589	0.6
323.10580	0.6
327.13745	0.4
355.12997	3.9
356.13388	0.5
359.16098	1.5
369.22787	0.7
387.15622	88.2
387.23129	11.0
388.16000	11.0
388.24213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.4
61.98824	0.9
71.01380	20.7
72.01743	0.9
73.02963	2.6
78.91895	1.5
83.01413	1.6
85.02956	4.5
86.06512	0.6
87.00896	1.3
89.02445	17.9
95.01386	1.1
101.02444	14.0
111.05656	0.7
113.02461	9.2
119.03500	8.8
125.02449	0.9
128.51036	0.7
142.67378	0.6
143.03526	1.0
161.04561	1.5
163.11296	12.9
164.11630	0.9
169.01399	0.6
179.05624	1.1
197.88507	0.6
207.10295	2.8
207.12352	0.6
225.11337	1.5
230.63135	0.8
243.12407	0.9
259.66116	0.6
287.01810	1.7
387.16580	93.7
388.16983	9.9
388.21710	1.2
413.58563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01871	0.7
57.03451	0.5
59.01379	76.6
60.01712	1.4
61.98838	1.5
65.71748	0.4
67.37042	0.5
71.01380	14.8
71.44497	0.5
72.99303	0.7
73.02938	1.2
74.48272	0.4
78.46875	0.4
83.01408	1.0
85.02953	3.0
89.02444	13.9
93.84980	0.5
95.01387	1.0
96.95988	1.0
101.02438	9.3
113.02456	6.2
116.69902	0.4
119.03495	4.7
125.02451	1.0
129.27396	0.5
149.04430	0.5
149.55672	0.5
161.04546	0.5
163.11285	4.8
165.50542	0.4
169.01469	0.7
179.05580	0.6
181.12326	0.6
183.03020	0.7
207.10274	11.8
207.27422	0.4
208.10609	1.0
225.11391	1.9
315.06903	0.6
369.15714	0.6
387.16583	100.0
388.16983	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.38598	0.7
57.03440	1.2
59.01376	17.2
60.69366	0.8
66.98288	0.7
67.73470	0.7
68.99809	2.5
71.01379	9.3
71.05028	0.7
73.02956	4.0
80.91682	1.4
81.32542	0.7
83.01391	1.5
85.02954	4.9
89.02452	6.1
93.07083	0.8
95.01385	2.3
95.05034	2.1
95.10284	0.7
95.55744	0.7
101.02446	8.7
111.08225	0.8
112.72214	0.6
113.02446	8.6
119.03499	2.6
121.55095	0.8
123.04563	0.8
123.51466	0.7
137.06052	1.1
161.04547	2.2
161.09766	0.8
163.11273	5.0
180.05841	4.8
181.06586	10.9
181.12335	17.0
182.06874	0.9
183.04533	7.1
207.10216	1.2
225.05562	100.0
225.11311	84.3
226.05843	7.9
226.11665	5.0
227.08110	0.9
249.11295	4.0
257.09335	0.8
267.12360	3.2
273.88431	0.9
285.08743	3.0
291.12384	0.9
311.10428	0.9
327.14584	1.2
355.09268	1.8
387.16245	2.0
387.23935	5.4
388.24637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44198	24.6
51.34179	23.5
59.01365	62.1
67.34759	30.1
69.50609	100.0
73.33601	21.9
77.35721	24.6
93.78352	21.2
161.76840	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	389.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.0
59.94052	0.5
60.99291	0.6
61.98807	0.6
67.01875	1.5
69.03429	0.5
71.01379	3.1
73.02964	0.8
83.01398	0.6
85.02953	6.5
87.00877	3.6
89.02438	1.4
93.03454	12.2
98.22630	1.7
99.00877	1.8
101.02431	1.7
107.24127	0.5
109.02941	0.9
111.04511	2.2
113.02454	0.8
120.99673	1.0
127.04010	2.0
133.02914	0.7
135.04526	12.9
137.09717	0.8
146.06123	0.7
155.03474	0.8
160.05249	1.2
161.02455	3.9
161.04771	0.6
161.06085	0.6
162.03224	1.9
173.04558	12.7
173.05992	1.3
176.04735	0.6
177.05594	3.3
178.06303	0.7
179.03522	3.1
188.04779	1.7
190.02670	0.9
190.06288	0.7
191.05605	100.0
192.05968	4.3
193.05031	0.7
202.06346	1.2
203.07114	0.9
204.04234	1.6
205.05077	1.3
207.06551	0.6
209.11853	0.7
217.08711	3.3
219.06645	4.6
221.08130	1.3
231.06538	1.7
233.04463	0.6
235.06128	1.1
249.07639	2.7
251.05589	1.9
270.78116	0.6
280.08682	0.8
291.08667	0.8
293.06705	4.2
294.07111	0.6
295.10895	1.6
300.99615	0.9
313.11914	2.4
339.91721	0.7
353.08759	37.1
354.09302	3.6
357.10843	1.8
389.06445	10.1
389.13370	1.1
389.18124	8.6
390.06985	1.0
390.18512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1241
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
59.01376	1.7
60.83864	0.2
61.98808	0.2
68.02117	0.2
69.24782	1.1
71.01379	0.7
71.99286	0.2
71.99712	0.2
73.02946	0.4
93.03426	0.3
94.06611	0.2
101.02446	0.5
104.05054	6.3
105.05392	0.3
107.03762	0.6
117.03457	0.6
119.05025	0.4
122.06117	3.2
124.07707	0.3
128.93173	0.2
134.06154	0.7
141.07106	0.9
143.05020	7.2
144.05389	0.3
145.02927	0.4
147.03253	0.7
147.73662	0.2
148.04048	8.9
149.04381	0.3
152.07155	4.4
157.06595	1.5
159.08163	2.4
160.04034	1.9
160.08488	0.4
161.04541	0.3
181.06607	0.6
182.07330	1.2
183.08121	3.1
185.06075	11.9
186.06390	0.8
199.07581	0.2
225.05569	0.5
227.07126	100.0
228.07460	8.2
241.13400	0.2
285.12283	0.4
295.10782	0.3
313.11954	2.9
318.71378	0.2
357.10919	11.3
358.11346	1.4
389.12537	0.9
389.25504	2.9
390.25815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.5
58.00592	0.5
59.01378	100.0
60.01710	0.8
60.07099	0.4
61.98844	0.6
69.25787	0.6
69.26189	1.7
71.01379	18.4
73.02951	0.8
83.01390	0.7
85.02942	2.8
87.00893	0.7
89.02444	28.2
95.01416	1.2
101.02436	8.5
105.99388	0.4
113.02445	6.2
119.03505	8.6
131.03513	1.0
135.04597	0.4
135.12970	0.4
143.03526	2.1
145.08705	0.6
149.04579	0.8
161.04517	2.7
167.44292	0.4
179.05595	5.2
191.05621	1.8
268.64474	0.4
299.98993	0.5
307.13940	1.2
309.61356	0.4
353.08780	0.5
389.17911	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07519	43.4
59.74245	47.8
69.51003	95.0
69.51391	100.0
75.32388	42.2
90.29522	45.1
174.82034	38.3
188.08435	47.9
272.62061	51.9
389.30722	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84121	73.0
61.63839	69.5
61.98832	90.8
66.33214	75.1
69.94608	74.4
88.34055	73.2
93.11076	84.4
98.93903	65.2
106.01501	88.3
121.02908	80.6
126.32401	79.1
134.33762	100.0
183.99669	95.2
205.22298	85.0
233.79272	74.7
274.33307	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26813	2.1
56.31820	2.3
56.46003	2.2
59.01375	100.0
61.08921	2.5
61.98803	3.9
68.24490	2.4
69.78580	7.8
94.64306	2.7
94.72089	2.6
98.21915	4.5
368.87720	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	390.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
61.98828	100.0
69.07899	3.3
69.08318	1.1
72.13769	0.6
82.89564	0.6
88.08978	0.5
98.21875	1.1
114.36284	0.6
123.00938	1.0
125.02457	1.0
134.03813	0.8
135.04558	2.5
152.65309	0.6
161.02469	0.8
179.03529	1.4
191.05663	2.3
192.05815	0.8
201.01926	0.8
229.01456	1.4
262.96646	1.4
275.02029	3.1
300.99908	5.3
315.91830	0.7
391.03497	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	390.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24955	0.4
53.73270	0.4
59.01380	0.5
59.20323	0.4
61.98829	100.0
63.36632	0.4
69.08228	2.8
69.52724	0.4
71.45311	0.4
77.52032	0.4
85.02950	0.9
95.01422	0.5
96.83788	0.4
98.22612	1.1
98.84186	0.4
120.07468	0.4
123.00893	0.8
125.02453	1.2
125.43188	0.4
133.02953	0.7
134.03778	1.1
135.04521	3.8
145.02991	1.1
159.38701	0.5
161.02380	1.1
163.04092	0.5
168.02812	0.4
169.01468	2.0
175.04123	0.6
179.03583	1.9
189.01973	0.7
191.05615	6.6
192.05954	2.1
201.02000	0.9
203.03539	1.0
216.99146	1.0
217.01286	0.7
218.97548	2.2
229.01427	1.6
231.03162	0.5
235.02484	0.5
247.02585	0.5
252.61478	0.5
254.33342	0.4
257.01004	1.3
258.01862	0.7
262.96539	2.8
273.00497	0.9
275.02075	3.4
300.99890	8.7
354.09039	0.7
362.02951	0.7
390.02255	0.5
391.03452	11.7
410.49948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73535	0.5
58.37205	0.6
59.01387	0.9
61.98829	100.0
64.48123	0.5
79.79974	0.5
98.36367	0.6
113.52177	0.5
114.40932	0.5
121.70338	0.5
129.55144	0.5
139.00662	0.5
154.81506	0.5
169.01421	0.6
172.62538	0.5
178.43706	0.7
275.01950	0.8
288.92383	0.5
301.00027	1.7
315.04462	0.8
391.03241	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	391.1034
Annotation	Breynioside A
Peak:m/z	Relative Intensity
59.01368	5.8
69.29309	3.4
69.29710	4.8
71.01379	17.5
73.02939	6.1
83.01391	3.4
85.02943	9.1
92.02689	5.6
93.02856	2.5
93.03451	37.9
94.03742	1.5
95.01363	3.9
96.99298	3.1
98.99186	1.6
101.02449	11.7
101.20195	1.5
108.02171	39.3
109.02954	61.8
113.02435	8.3
121.02912	1.8
136.01636	3.9
137.02444	67.7
138.02782	3.5
151.03975	1.9
166.81429	1.3
281.06650	67.0
282.06949	4.2
391.10324	100.0
392.10623	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	391.1037
Annotation	Breynioside A
Peak:m/z	Relative Intensity
59.01382	0.8
65.03973	0.2
65.67516	0.1
66.83316	0.2
70.99827	0.2
71.01379	0.9
73.02932	0.3
83.01389	0.2
85.02946	0.6
87.04499	0.2
93.03456	48.4
94.03793	1.4
94.89397	0.2
95.01385	0.3
101.02433	0.4
107.01458	0.3
108.02173	0.9
109.02957	3.2
113.02457	0.5
123.00897	0.3
124.01665	0.3
125.02479	1.0
125.03288	0.2
135.83270	0.2
137.02441	100.0
138.02776	4.0
161.02472	0.4
169.01454	1.0
185.11818	0.5
215.12923	0.5
229.01408	0.2
231.52654	0.2
243.16028	0.2
275.02048	0.5
281.06671	1.1
300.99924	0.9
302.00174	0.2
315.04282	0.8
319.55096	0.2
345.22705	0.4
373.25949	0.3
375.61148	0.2
391.03305	1.1
391.10239	1.8
391.27002	9.0
391.53458	0.5
392.27139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1048
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
61.01009	0.5
62.88259	0.1
63.07634	0.1
69.03446	1.1
71.01388	0.2
71.05018	0.2
71.43350	0.1
73.02930	0.6
81.03438	0.1
83.05012	0.5
85.02939	0.2
85.30833	0.1
93.03461	4.2
94.03828	0.1
99.00911	0.2
99.04518	1.6
109.02973	0.3
111.04527	2.1
113.02462	1.2
119.31355	0.1
129.01964	0.1
137.02426	1.1
143.03508	1.3
155.03491	0.5
155.05231	0.3
173.04539	2.0
174.04875	0.2
179.05545	0.2
191.05583	0.3
199.04178	3.7
217.05240	6.7
218.05576	0.2
246.62035	0.1
287.05634	0.1
301.00104	0.1
373.09393	0.1
391.10553	100.0
392.10886	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	391.1053
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
59.01368	0.9
66.80339	0.3
69.03458	0.8
70.50005	0.6
71.01357	0.3
73.02946	0.6
75.00873	5.6
83.05041	0.5
93.03455	3.7
95.01340	0.3
96.95979	0.3
99.04521	1.5
100.55735	0.3
103.00376	6.3
103.01453	0.4
109.02924	0.5
111.04523	2.4
113.02439	1.2
123.00897	0.4
124.01690	1.0
125.02445	4.3
135.04517	0.6
137.02454	1.2
143.03493	1.1
155.03494	0.8
155.05185	0.5
169.01424	0.8
173.04553	1.9
178.38794	0.3
179.03479	0.5
191.05560	0.4
197.25279	0.3
199.04179	2.8
216.99240	0.4
217.05235	6.5
218.05579	0.3
229.01413	0.5
275.01974	1.1
287.07834	1.8
300.99780	1.8
305.69223	0.3
377.03131	0.3
382.02261	0.4
391.10547	100.0
391.53369	1.3
392.10938	8.9
397.43198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92277	0.4
61.98828	100.0
69.08004	2.5
125.02437	0.7
149.55881	0.4
169.01385	0.7
175.37210	0.4
266.04623	0.5
294.03586	0.5
300.99915	0.7
325.16827	0.4
403.08664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03439	0.9
58.00594	1.2
59.01378	100.0
60.01707	1.1
60.17438	0.4
69.03457	1.5
69.57948	1.0
71.01380	37.7
71.05013	0.3
72.01711	0.6
72.99308	1.6
73.02945	29.3
75.00872	0.3
81.03455	0.6
83.01382	4.0
85.02947	11.9
86.00090	1.2
87.00877	6.8
87.04517	3.5
89.02443	46.1
90.02763	0.7
95.01388	1.9
97.02929	1.1
99.00884	0.9
99.04501	0.6
101.02443	44.6
102.02792	1.1
103.04011	16.2
104.04338	0.3
107.01363	0.4
108.20972	0.3
109.02900	0.4
113.02452	10.4
115.04009	9.5
115.04610	0.1
116.04314	0.5
119.03501	18.5
120.03851	0.4
123.00895	0.3
125.02454	4.6
127.04040	1.4
131.03506	8.2
143.02377	0.6
143.03493	11.0
143.18770	0.3
144.03809	0.4
145.05060	4.9
149.04520	0.8
157.68040	0.3
161.04529	2.4
163.06119	37.0
164.06436	1.6
169.01413	2.3
170.01744	0.6
179.05609	6.1
203.80043	0.3
205.07164	21.6
206.07480	0.9
247.08104	0.4
247.11810	1.7
265.09311	1.9
300.99771	1.0
302.00211	0.8
316.53384	0.4
392.53711	0.7
393.17667	4.7
394.17944	0.6
411.01846	0.3
412.79837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32780	0.7
59.01382	8.3
61.98828	100.0
69.65771	1.1
69.66118	2.3
71.01376	5.3
75.00878	0.8
82.95406	2.4
85.02945	2.0
87.00879	0.9
89.02444	6.2
93.03423	0.9
95.01393	3.0
97.02966	1.3
101.02444	2.2
103.00345	1.3
113.02442	1.7
119.03487	2.1
124.01705	0.8
125.02446	33.6
126.02774	1.2
136.62238	0.8
138.74255	0.8
169.01422	82.3
170.01782	2.7
179.05551	2.4
191.05566	3.5
193.01418	0.9
241.03632	1.0
295.00644	0.9
331.02945	1.6
331.06696	28.2
331.10666	1.3
332.06961	2.9
394.17072	2.2
395.04114	1.8
412.29181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	91.7
69.53104	82.6
136.83774	79.3
152.99577	78.1
183.59099	76.1
311.26563	95.5
325.70572	100.0
395.21613	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
83.80360	42.0
132.68022	43.4
161.04732	49.1
215.37917	53.3
376.68417	51.6
396.77020	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01605	0.2
55.01875	4.5
57.03447	3.4
58.00598	0.5
59.01377	38.0
60.01699	0.5
68.99810	0.2
69.03439	1.1
69.09093	1.1
71.01381	34.9
72.01735	0.4
72.99300	0.9
73.02946	21.5
74.03270	0.4
75.00872	0.7
81.03460	0.6
83.01386	15.4
84.01736	0.4
85.02950	22.0
85.06582	0.4
86.00105	1.1
86.03293	0.3
87.00880	1.8
87.04532	0.3
87.08154	0.7
89.02448	4.3
95.01391	2.4
97.02949	1.3
99.00249	0.4
99.00877	6.2
99.04528	0.2
101.02443	50.5
102.02778	1.0
103.04021	2.2
111.00874	0.9
113.02448	17.0
114.02782	0.6
115.04002	0.7
119.03506	1.0
125.02454	1.8
127.03978	0.3
129.01947	1.3
131.03488	0.5
136.92465	0.2
141.01932	0.3
143.03505	2.2
145.05063	0.8
157.08652	0.5
159.02985	3.2
161.04555	16.3
162.04890	0.4
163.06125	1.2
187.06119	0.3
205.03561	0.3
229.07114	0.9
231.12442	0.3
247.08315	1.0
249.13417	100.0
250.13754	6.3
309.31091	0.2
310.50266	0.2
395.19202	34.9
396.19519	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	395.2588
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
52.59209	0.9
57.03448	30.5
67.16572	0.9
118.63450	0.8
150.96623	0.9
163.11287	98.0
164.11665	5.1
178.03163	0.8
219.13901	35.6
220.14296	2.2
228.10187	0.9
229.11906	0.9
303.51526	0.9
337.21741	3.4
391.83475	1.0
394.17944	1.0
395.25870	100.0
396.26276	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	396.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	6.6
70.42687	6.6
70.58808	11.0
79.13002	6.3
79.95721	7.5
96.96004	73.1
106.15322	7.6
113.06357	6.4
199.47102	6.4
210.75601	6.2
393.38422	7.5
397.22601	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	397.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00004	0.6
59.01364	2.1
59.60843	0.6
60.46527	0.7
65.32236	0.5
69.78403	2.2
71.01376	1.1
74.76381	0.5
85.02950	9.4
87.00861	1.4
93.03469	3.0
105.01907	2.7
109.02924	0.7
111.04484	1.0
112.10937	0.6
113.02431	0.8
127.03991	2.4
140.64401	0.7
173.04564	0.9
191.05608	100.0
192.05952	3.1
209.78154	0.6
289.34827	0.6
319.45575	0.6
349.48383	0.6
358.18011	0.6
404.30151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.8
62.61635	0.5
69.17666	2.8
71.01378	1.6
72.99296	0.8
83.05006	0.6
85.02944	8.6
87.00870	2.2
88.21452	0.5
93.03471	3.8
105.82859	0.6
109.02882	0.9
111.04545	1.1
127.03998	2.0
129.01933	0.7
135.04507	0.5
137.02438	2.1
173.04568	1.9
191.05611	100.0
192.05981	4.6
201.02571	3.0
249.18744	0.6
276.40488	0.6
280.07388	0.5
283.81876	0.7
292.12268	0.5
337.05542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62172	0.2
59.01371	0.6
69.08951	0.4
69.09353	1.3
71.01388	1.6
73.02925	0.4
85.02944	0.7
92.91955	0.2
93.03456	37.2
94.03808	1.3
94.77367	0.2
99.43370	0.2
101.02448	0.8
113.02470	0.4
115.04000	0.8
120.32978	0.2
137.02443	100.0
138.02782	3.8
155.10834	0.3
161.04535	0.3
174.61392	0.2
187.90688	0.2
199.09779	0.6
235.06137	0.4
270.99045	0.3
299.07727	16.1
299.99197	0.7
300.08194	1.0
397.02316	1.1
397.11365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62373	1.0
59.01372	4.6
69.33416	4.0
71.01382	1.8
73.02937	1.3
84.17757	1.0
85.02962	1.5
89.02408	1.0
93.03456	7.6
96.95973	2.4
101.02431	1.1
108.02144	1.3
109.02946	1.1
113.02473	2.0
137.01416	1.7
137.02438	22.4
137.09721	6.2
145.02852	1.2
155.10788	64.4
156.11111	4.3
161.04596	1.2
191.07127	1.2
199.09756	100.0
200.10127	4.9
235.05936	1.0
235.09711	2.2
241.10854	2.2
280.65225	0.9
299.07675	3.2
361.15005	7.9
397.15204	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	398.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77432	4.1
56.22342	4.5
61.98835	5.3
69.86259	3.6
69.89953	7.2
69.90290	6.2
71.19313	4.1
76.67299	3.6
87.87093	4.2
96.96024	20.6
99.92601	4.7
122.03692	6.2
135.04523	13.3
141.92375	6.1
142.92317	5.0
161.09724	6.3
163.11235	26.1
164.08405	8.8
166.57497	4.2
177.09183	49.6
178.09956	11.0
179.10764	63.2
191.10815	6.9
215.95987	4.9
241.33446	4.7
253.51161	4.1
253.92624	4.1
298.15756	30.1
337.21838	38.5
338.21967	5.8
340.20377	68.4
341.20636	5.8
355.22763	100.0
356.23022	13.0
381.25571	5.6
398.22839	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20899	0.4
59.01367	1.5
62.86364	0.4
67.94760	0.4
68.77731	0.4
69.48378	2.0
71.01415	0.7
78.95898	1.2
80.73053	0.5
85.02975	0.8
89.77226	0.6
95.12492	0.6
96.92286	0.5
106.04259	0.7
109.02926	0.6
123.00948	0.7
124.01653	0.8
125.02452	3.7
127.12080	0.5
133.02950	0.7
138.03242	0.6
139.00290	0.7
145.02988	1.9
151.00456	0.5
152.01120	0.6
152.99602	1.7
153.01811	0.6
161.02441	1.1
169.01421	4.8
173.02435	3.2
174.03210	1.7
175.04008	0.5
180.00632	0.6
189.01927	7.6
190.02719	15.0
191.03183	1.4
200.01180	1.3
201.01886	2.1
202.02840	3.2
203.03481	1.5
205.01611	0.5
217.01370	4.4
218.02199	12.9
219.02727	1.1
222.01625	1.4
228.00667	3.4
229.01405	6.1
230.01727	1.1
245.00888	14.0
246.01492	1.8
247.02344	0.7
248.04283	3.3
256.00061	0.7
257.00922	9.2
258.01520	2.1
259.02469	3.1
266.56653	0.6
272.97372	1.2
273.00400	40.6
274.01181	100.0
274.50650	0.6
275.01913	48.0
276.02295	2.5
293.55615	0.5
300.99811	1.6
324.04816	1.6
376.02786	0.5
399.03775	6.8
399.16605	1.6
400.03409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.6
59.01379	100.0
70.84176	3.4
71.01375	50.4
71.35809	4.0
71.44574	4.4
72.99296	4.5
73.02927	11.2
75.12217	4.2
79.33047	3.9
85.02963	25.0
87.00908	7.6
87.25482	4.0
89.02449	46.0
93.50200	4.4
95.01401	5.2
98.53214	3.7
99.00874	5.3
101.02446	34.2
107.01395	7.7
107.79757	3.7
109.02924	5.2
113.02440	20.0
119.03499	22.6
121.06556	5.2
123.00883	7.2
124.01671	10.1
124.47527	4.1
125.02447	44.5
137.02377	7.0
137.09717	5.8
138.03188	6.5
139.07666	4.6
143.03496	8.1
151.07545	3.9
161.04552	40.7
161.09695	5.8
163.07599	9.3
165.09245	12.0
168.00633	4.9
169.01442	74.1
170.01692	7.6
175.03920	4.5
175.07669	3.9
177.09236	11.6
177.94955	4.3
179.05615	10.5
179.10815	15.5
180.00641	9.4
180.05856	4.4
183.02968	5.1
191.05609	18.9
194.99332	5.4
211.02440	6.2
220.11069	13.6
221.11806	30.6
229.01176	4.7
240.53156	6.0
241.03548	6.1
247.08252	9.9
248.04295	25.2
248.54337	8.5
274.00757	6.0
275.01761	6.2
300.99771	13.2
302.00073	6.3
316.53528	5.4
324.01376	4.0
324.04730	18.9
357.15643	44.5
358.15765	5.3
365.18594	5.2
383.17093	11.6
399.54446	5.7
400.05392	5.0
400.12546	11.4
400.16495	13.6
401.18082	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56346	0.6
54.45830	0.6
57.66832	0.6
59.01363	2.0
69.18788	2.7
69.19193	1.4
71.01364	1.6
73.02940	0.7
79.48106	0.6
89.02445	1.4
101.02409	1.1
108.04586	0.8
132.06548	0.7
160.04102	0.9
167.03506	0.6
185.03389	0.7
188.03531	1.6
193.81685	0.7
197.11833	0.9
198.04361	2.1
209.07201	0.8
211.08777	1.0
212.07405	5.4
225.04407	0.7
225.06653	1.2
226.03860	4.5
226.07411	0.8
227.04597	0.7
227.08235	2.2
238.08789	1.1
239.04431	3.3
239.08350	2.4
240.05153	5.3
241.06071	4.3
250.07350	1.2
251.08315	2.1
253.06203	2.5
253.09833	1.3
254.06972	2.4
255.07735	10.9
256.08145	1.1
263.08044	0.7
265.06198	1.9
265.09769	1.1
266.08316	1.7
267.04092	11.8
267.07681	5.7
268.04349	0.9
268.08450	1.7
269.09323	0.9
279.07614	0.9
280.04883	2.0
281.05679	2.1
281.09265	5.9
282.03101	0.9
282.06488	2.8
283.07230	8.3
287.10312	0.6
291.07776	1.6
293.05774	1.5
293.09290	1.6
294.06320	4.3
295.07266	7.5
296.07611	1.1
299.06677	1.8
299.99191	1.1
308.08078	1.0
309.08783	13.6
310.09198	1.7
311.06812	0.9
315.09921	3.7
325.08502	0.9
326.10089	1.0
327.10031	1.1
337.08301	8.6
341.11325	3.9
369.10898	32.1
370.11215	3.0
401.13507	100.0
402.13818	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03447	11.4
59.01377	100.0
60.01702	1.2
68.72867	1.1
69.03452	2.0
69.48802	4.2
69.49165	1.8
71.01379	60.0
71.05017	3.9
72.92311	1.4
72.99320	1.7
73.02939	10.1
75.00866	1.6
81.03448	2.1
83.01392	5.5
83.05019	2.1
84.02186	1.6
85.02949	44.2
86.00135	1.9
87.00874	13.9
87.04511	10.4
89.02441	41.9
91.59430	1.3
93.03474	1.7
95.01392	4.5
95.04990	1.3
97.02947	2.5
99.00868	9.2
99.04521	1.9
101.02441	41.2
101.24617	1.2
102.02756	1.2
109.02963	2.1
109.06585	2.9
111.04528	2.9
113.02454	21.6
119.03498	20.4
121.02901	1.3
121.06509	2.0
122.05591	1.3
123.04496	1.6
123.08206	1.7
125.02444	8.5
125.06099	12.4
127.04023	1.9
131.03522	1.4
135.04527	2.8
135.08148	2.8
136.05302	5.8
137.06117	1.6
137.09723	6.3
138.06883	5.2
139.03999	2.3
139.07649	7.7
141.05608	2.0
143.03546	3.7
145.05067	6.7
149.04515	1.9
149.06117	4.7
149.09724	2.3
150.06889	6.5
151.07639	12.5
152.08406	3.4
153.09198	14.9
159.03018	2.6
161.04575	12.0
161.09698	3.4
163.07649	4.2
164.08421	4.1
165.05573	1.5
165.09207	48.1
166.09593	2.5
166.99942	1.4
169.01425	7.6
169.05095	1.2
170.01758	1.8
171.99199	1.2
175.07683	1.6
175.11162	1.4
176.08018	1.2
177.09187	18.2
177.12813	1.7
178.09831	2.3
179.05618	4.9
179.07101	1.6
179.10753	10.1
180.00710	1.7
181.08688	2.1
181.30376	1.2
182.09464	3.4
188.08488	1.4
191.05542	1.9
191.10759	1.8
193.08673	5.9
193.12367	1.4
203.10785	4.0
205.08669	1.9
205.12323	4.6
206.09485	3.5
219.10265	4.8
220.11017	25.9
220.12961	1.9
221.11813	30.9
223.13417	15.6
224.13673	2.0
235.08145	2.3
237.11380	8.6
239.12900	7.7
247.08205	52.9
248.08601	2.7
248.54466	3.8
263.12949	2.8
281.13876	9.4
323.14969	1.6
324.54926	2.5
341.11142	1.6
379.04959	2.8
379.55176	1.2
383.17075	13.2
401.18185	74.3
402.18448	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	401.1814
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.53868	0.7
55.01880	5.8
56.22906	0.7
57.03450	11.3
58.00613	1.1
59.01380	100.0
60.01717	0.9
69.03436	2.4
70.30809	1.0
71.01381	88.4
71.05018	1.6
72.01737	1.1
72.99311	2.4
73.02943	26.7
75.00874	1.0
81.03464	4.1
83.01390	8.6
83.05035	1.6
85.02949	34.4
87.00866	4.7
89.02446	49.0
90.02776	1.0
95.01392	7.6
95.05020	3.3
96.02187	1.9
97.02932	4.1
97.06605	2.0
98.21748	0.8
99.00893	8.4
99.04541	3.7
101.02444	67.5
102.02837	1.7
107.05025	1.6
108.02189	1.2
109.02960	2.0
109.06614	1.7
110.03779	1.0
111.00880	0.9
111.04533	1.2
111.08150	1.0
113.02449	39.2
114.02766	0.9
118.35570	0.7
119.03503	23.2
121.06628	2.3
122.03667	0.8
123.00890	2.0
123.04533	6.2
123.08157	2.1
124.01675	1.4
125.02433	8.5
125.06069	7.0
126.02795	1.3
131.03526	2.7
135.08159	1.0
136.05275	1.0
137.06062	1.6
137.09738	3.1
139.07642	3.9
141.05606	1.5
141.09230	1.6
143.03506	4.8
146.69014	0.7
149.04552	1.5
149.06085	0.8
149.09761	0.7
151.07652	4.0
151.11273	0.9
152.01132	1.2
153.01932	0.7
153.09221	2.0
159.02968	7.0
161.04553	33.7
161.09723	2.4
162.05063	0.9
163.07648	4.0
165.05554	3.5
165.09216	8.3
166.06331	1.2
167.10822	0.8
169.01434	8.5
169.08699	0.9
170.01775	1.6
177.09184	0.7
177.12843	2.0
178.09932	0.9
179.03526	1.2
179.05692	3.5
179.10786	15.6
180.00650	1.0
180.11092	0.8
181.08707	29.1
182.09023	1.3
191.05605	1.6
193.12367	1.7
194.99580	0.8
203.10818	5.9
205.08707	1.0
206.09479	2.7
221.11832	25.2
222.11996	1.7
239.12865	13.7
241.03618	1.4
248.04414	3.9
248.54469	4.8
249.04611	0.7
285.00101	0.9
288.64127	0.7
301.05554	0.9
324.55118	2.6
331.13992	2.5
341.11020	0.8
343.14035	8.4
401.18127	37.3
401.54938	0.7
402.18588	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	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03447	22.0
57.78256	1.1
59.01376	81.5
60.61090	1.2
61.98829	44.2
65.60153	1.1
71.01379	45.4
72.98756	1.1
73.02946	10.2
81.03441	1.3
83.01366	3.3
83.05004	1.9
85.02952	20.9
87.00864	5.2
88.98798	3.1
89.02443	32.9
93.03423	1.4
95.01396	5.9
95.05002	2.4
97.02959	2.7
99.00880	3.5
101.01788	1.5
101.02439	28.3
108.02210	1.5
109.02908	2.2
113.02446	18.8
119.03496	10.8
120.99519	1.2
121.06576	2.2
123.00900	7.5
123.04510	2.0
123.08170	10.6
124.01557	1.8
124.02330	2.4
125.02444	7.6
131.03455	1.8
134.03746	2.5
135.04552	6.5
135.08125	2.8
136.05270	4.0
139.07585	2.0
143.03491	3.6
146.03697	3.2
148.05275	3.6
149.06070	44.9
150.06483	3.0
151.00383	2.0
151.07642	30.6
151.11275	1.2
152.01743	4.9
159.02956	3.6
159.08026	1.4
160.08911	2.5
161.04579	15.7
161.05943	1.5
161.09714	12.4
163.03999	1.6
163.07645	20.8
164.04741	3.4
165.09180	9.1
168.08060	1.9
169.01439	6.3
173.02432	1.5
173.09741	1.8
177.02036	1.5
177.09200	7.0
179.02367	1.5
179.05559	5.0
179.07118	11.3
179.10774	19.2
180.07451	1.4
187.07652	1.8
188.08415	12.2
193.12315	2.5
203.10777	78.9
204.11122	3.6
221.11815	100.0
222.12193	6.4
239.09297	2.2
275.01694	1.9
278.03723	1.4
287.53152	1.3
300.99927	1.8
301.52951	2.1
302.00269	1.4
315.52884	2.2
316.03137	3.5
316.53400	3.3
317.03745	1.2
320.04639	1.7
341.10846	3.2
401.10477	4.6
401.14618	14.3
401.18423	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	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01872	3.6
57.03440	3.5
59.01377	30.4
60.01707	0.6
61.98818	0.8
69.03413	0.5
71.01378	40.0
71.45145	0.6
72.01721	0.6
72.99303	1.5
73.02941	18.1
83.01379	10.2
84.01662	0.5
85.02945	22.1
85.03465	1.1
86.00093	2.1
86.03235	0.5
87.00867	1.9
89.02437	4.9
95.01392	4.2
97.02927	0.8
99.00877	6.8
101.02438	38.7
106.81823	0.5
111.00858	1.5
113.02445	15.9
119.03456	1.5
120.99612	0.7
125.02425	1.5
129.01945	1.4
143.03474	2.1
159.02971	3.7
160.03287	0.5
161.04559	13.4
162.04889	1.0
237.14989	0.6
341.10867	1.1
357.19168	9.7
358.19324	1.0
401.18112	100.0
402.18472	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	402.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76353	0.3
56.88602	0.3
59.01379	0.4
63.19140	0.3
71.01369	0.4
71.82938	0.3
77.50024	0.2
85.02936	0.3
96.80996	0.3
108.02171	2.2
108.66297	0.3
109.02985	0.3
124.68652	0.3
130.08737	100.0
131.08344	0.3
131.09100	3.5
131.86098	0.3
159.57066	0.3
161.04503	0.7
175.39987	0.3
191.05699	0.4
269.17856	0.3
271.08273	0.4
316.55273	0.3
372.36777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67099	3.6
56.04227	4.3
57.03450	11.6
59.01376	19.5
61.98821	33.4
69.17857	26.0
71.01362	12.1
85.02935	5.2
89.02428	5.0
98.00098	12.7
98.22600	8.9
99.00883	9.9
101.02445	3.9
120.99654	6.1
163.11172	5.0
241.14429	7.4
242.08206	34.6
245.15244	5.1
249.14845	8.8
271.13434	22.4
289.14380	42.4
327.10010	9.7
349.12488	8.6
349.16516	100.0
350.16806	16.4
367.17664	29.3
385.25934	11.5
403.15219	97.1
403.19836	5.5
403.27298	26.5
404.15588	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
58.00598	0.9
59.01378	77.9
61.19318	1.0
67.05537	1.0
67.80394	0.8
69.23605	4.7
71.01379	34.9
72.99330	1.0
73.02966	1.0
73.62806	0.9
73.90739	0.9
83.01398	1.0
85.02927	5.1
89.02443	49.1
95.01415	2.1
99.04507	6.6
101.02444	16.5
111.04502	2.0
113.02448	14.3
119.03506	18.4
124.05298	2.9
131.03519	1.4
135.11795	6.4
143.03535	2.9
149.04593	1.4
161.04492	2.7
161.09708	3.0
179.05664	6.9
179.10773	37.4
180.11107	1.9
205.08690	1.1
223.09750	100.0
224.10109	6.2
241.10846	2.5
290.22708	1.0
403.15927	7.8
418.69806	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	403.1971
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.02934	0.7
55.01878	1.1
57.03440	1.4
58.00589	1.0
59.01378	100.0
61.98822	2.8
66.70863	0.7
69.85828	2.8
71.01381	50.4
71.05018	9.8
72.99312	1.4
73.02946	1.6
83.01369	1.6
85.02962	8.0
87.00869	2.4
89.02441	67.4
90.02788	0.8
95.01395	4.2
97.06573	0.8
98.22469	1.6
99.04506	7.3
101.02444	28.6
111.08105	1.1
113.02450	18.7
115.82777	0.8
119.03499	30.1
123.08150	1.5
125.02405	2.1
131.03482	2.7
143.03503	4.2
149.04570	1.8
161.04599	4.9
162.76920	1.0
167.10670	1.1
169.01408	2.5
179.05637	12.8
179.14410	1.6
223.13396	74.7
224.13766	5.1
318.52332	1.0
319.02371	1.3
326.53598	1.7
403.19290	5.8
403.22922	1.2
403.23828	2.0
423.07962	0.8
427.42023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89711	1.1
58.02759	0.9
58.02974	9.9
59.01375	5.9
59.83702	1.2
62.77488	1.0
64.28308	1.2
69.12003	7.8
70.02971	1.3
71.01359	3.6
74.02474	22.6
81.04574	1.3
82.02965	2.6
86.02473	9.0
86.06100	1.6
87.05629	5.8
88.04047	1.2
89.02434	2.4
90.00182	3.7
94.52242	1.0
97.04066	1.6
99.05647	22.1
101.02454	2.9
101.07197	3.8
102.05595	2.1
109.04037	2.7
111.05628	2.1
112.04021	3.3
116.01756	2.5
123.05614	2.4
124.04050	2.3
125.03557	1.2
127.05109	4.5
128.03537	54.4
129.03882	1.4
135.05620	5.1
137.07173	1.3
141.06665	3.9
143.04619	79.0
144.04884	1.9
145.06190	2.5
146.04565	6.9
153.02090	1.2
153.06697	4.9
160.00735	19.7
165.80948	1.1
166.09840	2.8
167.04579	4.6
167.08249	2.9
171.07770	1.8
175.02568	1.3
177.03339	5.6
179.04591	11.5
181.06189	1.8
185.05644	2.8
192.07790	1.5
197.05676	2.0
210.08844	13.7
242.07791	2.3
254.07796	19.4
272.08859	35.5
273.09335	1.8
288.06650	11.0
306.07642	100.0
307.07846	7.5
404.14801	1.2
405.17331	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	405.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
61.98823	3.7
69.51245	0.8
71.01379	10.6
72.99314	0.7
73.02945	1.1
75.00865	0.8
77.89621	0.3
83.01402	0.6
85.02950	1.3
86.78268	0.2
87.00872	16.4
89.02426	0.8
98.21886	0.5
99.00886	0.4
101.02451	0.8
109.02930	0.8
113.02470	0.7
115.00368	37.3
116.00676	0.5
119.66522	0.3
127.00351	0.7
128.03577	0.3
134.03723	0.3
135.02986	0.6
143.04605	0.4
147.04526	0.3
161.02458	0.4
161.04611	0.4
174.03242	0.4
175.02473	100.0
176.02814	4.0
181.05124	0.3
184.08859	0.3
193.05022	2.2
201.01923	0.3
207.06572	0.6
233.04561	1.1
251.05597	0.4
271.08328	1.6
306.07629	0.4
307.08173	0.3
309.06015	0.3
322.10941	0.3
351.07437	0.3
352.01703	0.2
369.08188	0.3
405.06097	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	405.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
67.01885	0.4
67.48588	0.3
71.01376	0.7
71.43105	0.3
73.02927	0.4
83.05028	0.7
84.13683	0.3
85.02946	9.6
87.00857	2.0
93.03445	3.4
99.00780	0.4
99.04498	0.4
106.99506	0.3
109.02955	0.7
111.04494	1.2
127.00690	0.3
127.03990	2.4
167.74397	0.3
171.03059	0.5
173.04552	1.2
174.70425	0.3
191.05606	100.0
192.05948	3.6
195.05037	0.8
267.08234	0.3
300.68964	0.4
313.42145	0.4
357.71756	0.3
387.09204	0.4
405.10120	38.2
406.10413	3.3
413.46887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02377	0.8
59.01369	1.2
63.87573	0.5
69.03452	58.5
69.91785	1.9
70.03767	1.4
71.01390	1.0
79.01886	47.7
80.60110	0.6
81.03449	2.9
83.01383	0.6
85.02942	0.9
93.03462	0.8
95.01393	2.2
97.02949	30.8
97.36746	0.6
98.03255	0.9
101.02434	0.9
105.20844	0.7
107.01385	86.2
107.05022	0.7
108.02227	11.1
109.02954	7.4
113.02454	1.1
119.04991	0.6
121.02950	6.8
123.00898	4.3
125.02444	48.2
126.02786	1.6
133.02966	3.2
134.03726	1.9
135.00851	3.1
135.04517	2.7
136.01657	7.5
137.02441	6.0
145.02950	1.1
149.02443	4.7
150.03250	1.2
151.00365	84.9
151.03966	1.7
151.57286	0.6
152.00781	3.8
153.01936	17.2
161.02560	0.9
163.04010	8.9
165.18987	0.5
175.03896	1.2
177.01921	11.0
189.01909	1.0
191.03433	0.7
197.06087	5.1
198.06786	1.2
199.61751	0.6
207.03087	1.5
213.05527	0.9
215.07103	0.8
219.02977	1.0
242.05830	100.0
243.06566	55.6
243.10225	0.9
244.06958	3.4
249.84305	0.6
251.10927	0.6
267.06601	1.0
285.07709	5.1
297.06094	19.8
298.06580	1.8
387.27356	0.8
405.11865	20.7
405.28641	1.6
406.12332	1.4
412.99561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32914	9.6
56.80154	9.5
59.01377	100.0
67.56862	9.1
69.37038	46.9
71.01379	23.2
75.50927	10.4
87.13314	12.9
89.02439	19.3
108.59940	11.5
113.02478	12.9
181.12318	14.3
204.24638	9.6
225.11339	85.0
243.12408	12.7
299.13504	14.5
347.20740	13.1
405.17517	40.5
405.24719	50.7
405.29129	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	36.9
67.15833	14.8
69.27342	100.0
70.79479	16.4
74.42471	14.3
80.30283	16.2
98.21865	35.5
111.65108	18.8
126.27048	19.3
399.87708	18.9
405.16684	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01770	1.9
57.14816	2.2
59.01379	24.7
61.98827	5.5
69.03437	2.2
71.01371	5.9
73.02936	4.1
75.34700	1.7
83.01447	2.1
84.23575	2.2
89.02471	2.5
91.01901	5.6
93.03433	15.6
98.22634	7.2
101.02430	2.8
107.01374	6.0
107.05057	3.0
109.02938	5.1
119.03468	1.9
123.00883	5.6
124.01601	3.7
125.02459	22.5
131.93697	2.1
134.03757	7.3
135.00908	12.2
135.04526	100.0
136.04855	6.2
137.02437	59.0
139.00372	2.8
139.11281	5.9
151.00356	4.9
153.01927	12.6
161.02434	3.0
161.04475	2.0
167.63957	2.4
168.00632	3.7
169.00111	3.1
169.01408	26.0
179.03511	10.7
181.12379	4.6
183.10239	7.5
192.00699	2.4
193.01350	5.0
198.89021	2.6
199.07600	10.2
207.02980	4.8
211.02419	4.3
225.11295	8.6
232.02979	4.3
232.53334	2.4
234.01703	4.9
235.02405	2.4
242.05867	2.6
243.06630	22.9
243.12325	26.1
244.12683	2.8
285.13263	10.2
297.06400	3.1
307.53503	2.4
315.04355	27.3
315.54449	9.5
345.15463	9.1
387.27408	3.1
405.16800	7.4
405.29379	11.6
406.17422	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36262	15.9
59.01379	48.2
59.50985	15.7
61.98842	86.8
62.02650	16.5
62.85907	16.8
69.51681	78.0
75.00883	16.4
81.48907	17.1
123.00851	19.7
125.02457	26.4
154.99811	17.8
161.58777	16.9
162.64838	16.2
169.01315	22.2
169.42316	15.8
170.91092	16.4
177.09091	18.4
183.02930	18.3
197.11769	20.8
207.95755	17.3
230.49516	18.3
243.12373	24.7
322.05109	37.2
392.44299	17.3
405.16879	100.0
406.03018	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	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48254	10.9
59.01364	29.7
61.98830	100.0
67.14391	9.8
83.47622	11.0
113.31922	9.6
118.38239	10.1
133.06343	10.1
169.12315	16.6
180.64798	13.6
347.57690	11.1
405.16840	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	55.3
67.72191	1.2
68.22740	1.2
71.01380	28.7
73.02931	6.7
83.01397	1.3
85.02953	2.9
89.02444	21.5
95.01407	2.2
95.05020	1.6
98.21861	4.3
101.02440	11.6
113.02461	9.0
119.03470	6.2
119.68958	1.4
138.34055	1.2
163.11288	6.8
176.07426	1.1
181.12341	45.5
182.12625	2.4
207.10359	2.1
225.11311	100.0
226.11635	6.8
243.32419	1.4
383.63828	1.4
388.72183	1.5
405.17590	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.8
71.01382	15.4
78.95901	13.5
79.95753	1.4
83.01357	1.3
83.66193	0.7
85.02942	10.8
89.02441	13.4
90.97144	5.3
91.10836	0.7
91.25870	0.7
95.01435	0.8
96.96010	66.9
96.96963	28.9
97.54877	0.9
98.22740	1.1
100.99204	1.1
101.02451	4.5
102.97128	0.7
104.03249	0.7
104.83714	0.7
113.02456	4.4
114.62428	0.7
114.93414	1.8
114.97158	3.0
116.98724	4.8
118.79512	0.7
118.96618	16.8
119.03526	5.8
128.98709	1.0
129.05589	10.1
132.98195	6.6
140.98743	1.6
142.96655	0.8
143.00267	2.9
143.03490	1.0
144.98225	1.2
146.48795	0.8
146.96159	2.4
156.98183	11.8
158.99756	36.3
160.97688	7.2
161.04523	2.0
167.00253	1.8
168.98178	4.6
170.99759	2.3
173.01277	1.1
174.99246	1.7
179.05565	8.0
182.99730	12.0
184.97699	2.6
185.01299	4.3
186.99271	4.5
198.99260	1.8
199.02866	1.1
201.00821	19.8
203.02390	8.0
210.99242	5.9
213.00795	2.5
217.00325	7.6
227.02354	11.6
229.00351	1.5
237.00874	1.4
243.01826	2.2
245.03416	15.1
246.03807	1.2
259.05008	1.2
277.02451	2.9
287.04517	2.9
299.04523	1.0
309.11908	15.2
310.12347	1.3
347.06549	10.4
365.07635	9.6
389.07507	0.9
407.08731	100.0
408.09262	7.6
409.06522	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	407.096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.1
58.18763	1.3
59.01377	100.0
60.01715	1.6
67.05524	1.9
69.62016	6.2
69.62338	1.3
71.01378	49.1
72.01706	1.4
78.95444	2.2
78.95885	13.6
85.02947	62.1
87.00867	3.4
89.02441	71.2
95.01373	1.9
96.32166	1.4
96.96009	24.1
96.96950	23.8
98.21889	2.0
101.02444	25.5
113.02442	20.7
114.93568	1.4
119.03504	29.9
129.05579	59.7
131.03539	2.1
143.03493	8.9
149.04601	3.0
156.98154	1.7
158.99779	4.9
161.04573	6.8
169.01485	1.9
179.05600	50.4
180.05908	2.1
182.99815	1.5
309.11917	60.5
310.12308	2.7
347.07138	4.5
391.03076	2.2
407.08917	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	407.098
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
53.48508	0.3
57.03428	0.5
58.96370	0.3
59.01382	3.2
60.85251	0.2
61.98823	0.4
63.02386	1.2
65.00319	6.0
71.01378	1.5
72.99358	0.2
73.02955	0.3
83.01379	3.6
85.02940	0.4
87.00851	0.7
89.02422	0.5
90.57398	0.3
93.03442	3.5
101.02424	0.7
107.01394	9.7
107.02128	0.5
109.02952	0.5
113.02440	0.5
115.00366	2.1
117.03452	2.2
119.05044	0.5
125.02443	3.9
135.04526	2.0
135.96361	0.3
137.02455	0.6
141.03479	0.4
151.00369	25.3
152.00671	0.8
153.01924	0.4
158.03702	0.5
159.04498	2.8
161.02435	7.1
161.04512	0.6
162.02757	0.3
163.04007	0.3
169.01457	0.5
173.06062	0.9
175.02458	5.1
175.03926	0.4
177.02953	0.4
177.05594	1.4
185.02197	1.2
193.01387	1.0
193.05206	0.3
201.05563	5.3
241.05081	0.4
243.03146	0.3
245.04532	100.0
246.02335	0.4
246.04861	6.9
248.98561	0.4
269.04425	0.4
287.05499	0.3
299.02100	0.3
300.99945	0.3
313.05661	0.4
347.17233	0.3
407.00522	0.7
407.09930	6.1
408.10101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
59.01375	13.7
66.26459	0.5
69.03458	4.2
71.01379	9.5
72.99312	0.6
73.02930	2.6
79.01902	1.2
81.03455	2.5
83.01379	3.4
85.02935	3.8
87.00880	0.8
89.02437	2.7
92.02675	0.7
93.03452	10.6
95.01405	2.0
97.02958	5.1
99.00871	1.3
99.92603	1.3
101.02436	5.9
107.01395	3.3
108.02170	16.1
109.02962	9.1
111.04505	0.8
113.02450	3.4
115.90835	0.6
119.03517	1.1
121.02950	1.2
123.00890	10.2
123.04535	1.9
124.01659	51.5
125.02444	100.0
126.02760	3.3
133.02985	0.8
135.00882	1.5
135.04492	1.3
136.01709	1.2
137.02437	20.8
143.03485	0.6
149.02437	1.1
151.04012	2.0
153.01945	4.3
161.04572	3.1
163.00500	0.5
163.04070	1.0
167.03503	2.0
169.01430	3.6
179.03522	2.7
179.05544	0.7
191.05598	1.1
196.80199	0.6
239.05641	2.6
243.04041	0.6
245.04529	6.5
248.04376	0.7
255.32538	0.6
259.07217	1.7
269.06677	1.1
271.07452	1.0
277.66187	0.6
278.01834	0.6
281.06641	19.3
282.07037	1.5
287.10300	2.6
297.06006	0.8
313.08258	2.8
331.09113	1.2
339.07126	0.7
347.17151	1.6
375.08328	0.7
407.09830	66.6
407.18939	4.1
407.26926	1.3
408.10202	6.6
408.19043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03436	0.6
59.01378	2.2
65.52451	0.4
69.13731	3.2
71.01379	6.6
73.02933	1.7
75.67703	0.6
77.57455	0.5
81.03467	1.3
83.01381	1.6
85.02953	4.3
89.02426	0.6
91.01908	0.9
95.01387	0.8
95.62132	0.5
98.22728	1.1
101.02447	4.4
107.01373	2.7
108.02168	18.1
108.02904	1.0
109.02949	70.6
110.03282	2.0
111.00873	1.1
113.02451	2.9
121.02882	0.9
123.00867	1.4
124.01614	0.5
125.02464	0.9
135.00880	1.7
137.02521	0.8
151.03995	0.9
152.01100	3.0
153.01930	67.2
154.02245	2.4
156.25230	0.6
161.04555	0.8
163.03996	1.0
195.03001	2.0
207.02986	0.7
225.04002	1.1
237.03998	1.1
245.09138	0.5
257.05673	1.1
259.07202	1.4
271.07263	0.9
287.10400	2.1
296.89981	0.5
297.06128	16.5
298.06503	1.0
313.08264	3.6
331.09286	2.0
358.41092	0.5
362.68307	0.5
375.08441	0.6
407.09808	100.0
408.10208	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	407.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01366	2.7
69.37736	1.6
71.01382	7.4
73.02937	1.9
81.03471	1.5
83.01389	1.8
85.02948	4.6
89.02415	0.8
91.01891	1.2
95.01343	0.8
97.02970	0.7
99.00887	0.7
101.02442	4.1
102.79317	0.5
107.01374	2.9
108.02170	18.4
109.02949	75.4
110.03272	2.0
111.00895	0.9
113.02429	3.4
123.00834	0.6
124.01684	0.6
125.02431	1.6
135.00871	1.5
145.06345	0.5
148.24100	0.5
151.04013	0.9
152.01164	4.4
153.01932	74.9
154.02296	2.0
158.80661	0.5
163.03952	1.5
179.03476	0.7
186.86134	0.5
195.02936	1.7
207.02757	0.8
217.02412	0.7
231.07878	0.6
237.04048	0.9
244.09456	0.7
259.07144	1.5
271.07217	0.7
287.10327	2.4
297.06149	19.5
298.06677	0.8
299.40079	0.5
305.57117	0.6
313.08258	3.2
331.09357	2.2
375.08398	1.1
407.09824	100.0
408.10156	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71000	1.2
59.01380	13.3
61.98841	7.7
67.82545	1.1
69.39792	4.4
71.01373	9.8
72.31283	1.0
73.02928	7.9
82.02987	5.6
83.01376	3.3
85.02940	4.6
89.02451	2.7
95.01373	1.3
101.02422	5.7
107.01384	1.3
108.02177	12.4
109.02949	51.4
110.03265	2.6
113.02424	2.5
113.75270	1.1
125.02427	3.1
133.68553	1.3
151.03996	1.2
152.01195	1.7
153.01933	55.7
164.03540	4.2
169.01392	1.0
177.57906	1.1
185.01207	1.8
188.07181	3.1
202.08707	2.0
215.04414	1.6
216.05228	1.6
216.10278	1.7
217.02515	2.9
217.06137	4.1
218.06863	2.1
227.12927	12.0
229.06195	4.1
230.06882	3.4
231.07707	6.8
232.08357	2.1
241.06181	2.5
243.04060	5.7
243.07816	2.5
243.11276	2.2
244.04837	11.1
244.09897	7.2
245.09377	3.5
248.09203	1.5
255.05295	1.2
256.04877	3.6
257.05695	9.7
258.06332	3.8
259.07202	23.8
259.10754	3.5
269.09329	2.1
271.07263	13.4
272.07794	1.5
285.08734	2.2
287.10367	41.9
288.08688	3.9
291.09863	5.1
297.06082	14.5
298.06116	2.5
300.99747	1.2
313.08279	53.8
314.08691	5.6
331.09338	33.6
331.12265	0.8
332.09775	1.9
345.10907	4.7
357.06998	1.7
375.08331	11.9
376.08530	1.9
389.09760	1.9
407.10168	100.0
407.19241	8.8
407.26416	4.4
408.10526	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	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71000	1.2
59.01380	13.3
61.98841	7.7
67.82545	1.1
69.39792	4.4
71.01373	9.8
72.31283	1.0
73.02928	7.9
82.02987	5.6
83.01376	3.3
85.02940	4.6
89.02451	2.7
95.01373	1.3
101.02422	5.7
107.01384	1.3
108.02177	12.4
109.02949	51.4
110.03265	2.6
113.02424	2.5
113.75270	1.1
125.02427	3.1
133.68553	1.3
151.03996	1.2
152.01195	1.7
153.01933	55.7
164.03540	4.2
169.01392	1.0
177.57906	1.1
185.01207	1.8
188.07181	3.1
202.08707	2.0
215.04414	1.6
216.05228	1.6
216.10278	1.7
217.02515	2.9
217.06137	4.1
218.06863	2.1
227.12927	12.0
229.06195	4.1
230.06882	3.4
231.07707	6.8
232.08357	2.1
241.06181	2.5
243.04060	5.7
243.07816	2.5
243.11276	2.2
244.04837	11.1
244.09897	7.2
245.09377	3.5
248.09203	1.5
255.05295	1.2
256.04877	3.6
257.05695	9.7
258.06332	3.8
259.07202	23.8
259.10754	3.5
269.09329	2.1
271.07263	13.4
272.07794	1.5
285.08734	2.2
287.10367	41.9
288.08688	3.9
291.09863	5.1
297.06082	14.5
298.06116	2.5
300.99747	1.2
313.08279	53.8
314.08691	5.6
331.09338	33.6
331.12265	0.8
332.09775	1.9
345.10907	4.7
357.06998	1.7
375.08331	11.9
376.08530	1.9
389.09760	1.9
407.10168	100.0
407.19241	8.8
407.26416	4.4
408.10526	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03451	1.3
59.01379	100.0
59.56816	0.4
60.01722	1.0
61.48498	0.4
61.98825	0.5
66.03488	0.8
71.01384	7.1
73.02955	3.3
81.03466	0.4
83.01395	1.7
83.05048	0.4
85.02956	3.8
87.00912	0.9
89.02441	2.4
93.03471	0.6
94.27532	0.4
95.01393	0.7
96.39899	0.4
97.06675	0.4
99.00890	0.7
101.02436	6.0
107.01447	0.6
109.02953	0.4
110.02489	1.7
113.02445	2.8
119.03529	1.0
123.00896	0.5
125.02453	5.2
129.05579	0.6
129.09279	0.7
135.04491	1.0
137.02472	1.4
139.11311	0.9
153.01978	0.5
161.04555	2.8
169.01456	1.1
171.10272	0.5
173.11845	0.4
181.12340	0.5
183.10336	1.8
185.11841	1.1
203.12924	0.5
225.11438	0.5
243.12404	2.2
245.13429	0.5
261.13593	0.9
281.06689	2.1
319.76831	0.4
322.35446	0.4
322.67429	0.4
347.17102	18.0
348.17560	1.5
365.18167	5.4
374.67877	0.5
383.32187	0.4
389.25662	0.9
407.09613	1.2
407.19302	9.4
407.26572	4.8
408.19510	0.9
408.27103	0.7
418.05600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50925	1.3
58.61960	1.2
59.01367	4.2
70.51422	2.3
71.01369	1.9
77.90075	1.0
80.91684	17.4
96.96008	5.3
121.02926	1.6
122.03728	5.1
123.00971	1.6
124.01673	2.1
125.02439	6.8
135.04539	1.3
136.01640	1.8
137.02495	1.4
146.50909	1.2
147.04498	1.3
149.02431	4.9
150.03230	29.7
151.03964	1.3
152.01118	1.5
159.04565	1.8
161.02446	3.9
162.03236	4.7
163.03934	1.7
164.01147	4.1
164.04781	2.1
165.05562	48.1
166.02766	5.9
166.05841	1.8
169.01456	6.8
175.04002	1.2
177.01907	3.6
178.02716	3.4
178.99995	1.3
180.00546	1.5
180.04279	1.8
181.84171	1.1
189.01889	2.7
190.02699	9.2
190.99846	1.8
191.03407	2.4
192.00641	65.3
193.01407	28.5
194.02193	22.8
194.03943	1.2
195.06596	19.3
205.01425	4.9
205.05090	1.6
206.02220	8.1
207.02979	26.2
208.03415	1.5
209.04599	1.3
221.00957	2.9
222.01624	7.7
233.00755	2.3
234.01698	29.6
235.02066	1.9
237.04048	5.4
247.02519	7.3
249.04068	14.0
273.99771	6.0
301.11154	1.2
312.04861	25.1
313.05261	2.9
327.07202	100.0
328.07559	8.6
337.02017	2.0
349.05356	15.2
349.18423	1.3
350.05737	2.5
361.12885	4.0
374.87762	1.4
393.04156	1.9
394.03992	1.9
409.00949	2.5
409.06497	16.5
410.06464	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
71.01369	0.7
71.03584	0.8
73.02928	0.7
80.91679	2.1
93.03450	2.5
96.96009	2.7
101.02425	1.5
107.36461	0.6
121.02946	4.7
122.03728	8.7
123.04528	1.2
124.01669	0.7
125.02467	0.8
133.02957	1.8
136.01682	3.0
137.02449	1.0
139.04034	1.0
147.04495	0.9
149.02440	36.0
150.03227	60.3
151.03836	2.6
161.02344	0.7
164.04805	10.2
165.05565	100.0
166.05922	5.1
180.04256	2.8
190.02809	0.8
192.00700	4.9
193.01404	2.5
194.02185	2.0
195.06622	20.9
196.07051	0.9
205.01398	0.7
207.03014	1.6
213.07698	2.3
222.01746	0.8
234.01550	3.0
242.06047	0.6
247.02464	1.3
254.05733	0.7
257.08224	1.4
285.07770	3.6
286.08429	7.7
287.08762	0.9
300.99878	1.2
301.10840	13.7
302.11179	1.3
312.04697	1.4
327.07202	7.9
349.05539	1.2
361.12921	46.6
362.13321	4.3
409.06592	1.3
409.14981	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76492	0.2
55.01873	5.3
56.99845	0.2
57.03444	3.5
58.00587	0.6
59.01376	41.8
59.84326	0.2
60.01706	0.4
65.58540	0.2
69.03454	1.4
69.30878	0.3
69.31288	0.8
71.01377	38.4
72.01717	0.5
72.99290	1.1
73.02942	23.8
74.03298	0.3
75.00879	0.9
81.03444	0.5
83.01382	16.7
84.01718	0.3
85.02946	23.6
86.00080	1.4
86.03278	0.4
86.92265	0.2
87.00871	1.9
87.04507	0.5
89.02442	5.0
95.01376	3.0
97.02943	2.2
97.21682	0.2
99.00872	6.9
99.08135	0.5
101.02438	52.4
101.09719	0.6
102.02805	1.0
103.04013	2.3
111.00873	1.3
113.02444	16.7
114.02784	0.4
115.04012	0.4
116.79681	0.2
119.03488	1.0
125.02448	2.5
126.74790	0.2
127.04004	0.2
129.01947	1.2
131.03520	0.4
135.86343	0.2
137.79150	0.2
141.01932	0.4
143.03516	1.9
145.05081	0.8
159.02979	3.3
161.04550	17.6
162.04881	0.4
163.06110	1.2
171.10268	0.4
179.05615	0.2
187.06158	0.2
201.39476	0.2
229.07120	1.1
238.83113	0.2
247.08228	1.5
263.14969	100.0
264.15326	6.7
307.13867	0.3
370.78058	0.2
409.20746	31.7
410.21103	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	409.2358
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
70.57550	0.6
78.95902	69.0
93.60806	0.4
96.96972	4.5
109.30130	0.4
111.32827	0.5
150.98006	1.9
152.99586	100.0
153.99939	1.5
163.11337	0.9
165.64316	0.4
171.00587	2.6
172.85927	0.4
178.36021	0.4
178.97923	0.4
183.00995	0.5
255.23315	2.4
264.38632	0.4
278.49921	0.4
319.21768	0.5
394.25009	0.5
409.23550	16.5
409.28787	0.9
410.23990	1.2
421.75598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1296
Annotation	Paashaanolactone
Peak:m/z	Relative Intensity
57.03440	0.9
59.01379	40.7
61.98824	0.8
67.73781	0.6
69.16817	2.8
69.17225	1.1
71.01381	17.2
73.02943	1.6
80.03632	0.6
83.01374	1.8
85.02947	5.7
87.00825	0.7
89.02438	12.2
92.02656	7.3
93.03455	34.8
94.03786	1.7
94.84563	0.7
95.01388	2.4
96.99298	1.1
98.22642	1.0
99.94316	0.6
101.02444	9.0
107.05032	1.9
108.02162	0.9
111.83891	0.5
113.02439	7.3
119.03483	3.4
121.03076	1.2
123.04531	0.8
125.02447	1.0
135.04521	2.0
136.01653	13.2
137.02444	100.0
138.02765	2.9
144.79350	0.6
151.04002	7.1
161.04579	0.9
179.03488	68.3
180.03824	3.2
191.03537	1.1
209.04543	23.8
210.04898	0.9
221.04510	1.0
233.04453	1.0
239.05594	75.4
240.05905	4.9
248.58139	0.6
249.11397	1.7
281.06656	2.3
299.07770	9.1
356.45566	0.6
405.79266	0.6
411.12970	42.8
412.13135	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	411.2023
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
59.01384	89.1
64.00057	9.6
71.01389	64.9
73.02944	25.0
85.02945	29.5
87.80042	8.0
89.02448	51.9
101.02447	55.0
113.02452	30.6
116.23158	7.9
119.03500	20.1
137.02327	7.5
156.42352	8.8
161.04555	12.4
174.03105	8.4
183.65535	7.4
187.14902	14.2
231.13667	9.9
234.01492	9.8
249.03871	13.5
298.98450	9.5
314.00540	9.7
367.20908	9.2
411.20261	100.0
412.20508	23.6
427.71457	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	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	65.4
61.98825	23.4
69.41058	100.0
71.01392	22.8
80.21413	20.7
137.09743	21.4
198.71660	20.9
272.01962	20.3
297.78104	19.3
369.19128	80.3
413.13403	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	412.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92204	19.6
66.11176	21.1
69.46225	100.0
71.01365	43.1
75.23309	18.2
77.42711	20.0
117.23782	19.1
148.72194	24.4
229.95186	20.1
338.55780	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26242	20.8
59.01367	49.1
59.52808	19.9
63.22120	19.6
69.55472	23.5
69.55799	100.0
71.01357	23.9
74.81531	21.5
76.82030	21.7
84.63242	21.1
89.02445	50.8
89.66514	22.7
89.67075	21.7
97.81398	19.6
98.22586	32.8
130.34610	22.7
279.62781	24.7
348.92508	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	412.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	89.1
62.30172	26.7
69.42604	100.0
71.01386	32.6
81.73447	28.1
89.02415	39.1
94.00175	24.4
96.29623	25.3
138.40706	26.5
412.17709	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	96.5
61.25335	77.6
63.53961	88.9
64.77885	100.0
74.25890	95.6
106.47755	85.0
169.84172	95.5
277.51477	89.5
336.91025	97.0
389.03748	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57343	0.4
59.01382	2.3
59.96718	0.7
69.03483	0.6
71.01382	8.0
71.43237	0.4
73.02949	0.7
83.01361	1.0
85.01459	2.1
85.02941	0.8
87.00873	0.5
98.99389	4.1
99.00921	1.0
101.00968	3.3
101.02464	0.8
108.02174	100.0
109.03023	7.6
113.00987	1.2
113.02411	1.0
115.00379	0.8
117.00451	3.7
123.04546	1.5
125.00957	2.0
126.98909	1.9
139.02467	0.6
141.00444	21.2
142.00615	1.8
142.05130	1.0
144.99919	0.8
151.04025	1.4
152.95193	0.6
153.00427	3.8
155.01965	4.1
157.03561	0.9
159.01657	0.7
161.04568	1.0
163.02527	0.6
163.03949	0.7
165.00450	1.8
167.02036	2.5
168.99907	4.0
171.01457	1.3
180.99899	0.7
183.01477	6.2
186.51624	0.5
191.02065	1.0
195.01590	1.5
207.01360	0.5
208.99467	1.2
209.03021	1.4
211.01019	0.8
212.01654	0.6
217.00349	1.3
219.89232	0.5
233.03094	1.8
234.03445	0.7
241.01974	0.6
243.03595	10.6
243.06174	0.5
244.03818	1.3
250.03310	10.2
251.00490	2.2
251.03369	0.5
263.03845	0.7
293.05289	1.5
315.07394	0.6
353.03555	2.0
353.07291	52.4
354.03552	0.5
354.07504	6.5
413.09540	25.9
414.09723	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	414.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13511	1.2
57.78463	1.3
59.01363	5.0
61.98821	5.2
63.22312	1.3
70.99590	1.3
71.01382	5.0
71.05020	10.5
72.27845	1.5
73.02941	2.6
85.02950	3.1
93.03430	2.2
101.02412	2.6
108.02190	8.0
109.02984	10.6
113.02478	1.9
117.05578	100.0
118.05921	2.8
120.66096	1.3
123.00863	11.1
124.01651	7.8
125.02425	2.0
131.05043	1.7
135.04456	1.4
137.02420	2.0
153.01926	2.8
161.04532	2.0
162.53978	1.4
165.03807	3.0
169.01437	3.1
173.71356	1.4
177.05540	4.6
191.03595	1.9
191.05560	2.7
203.07109	1.4
220.07399	1.3
221.08174	2.9
327.35318	1.4
332.11557	1.5
383.13544	1.8
414.10443	1.8
414.19235	1.5
415.11929	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	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.89977	17.9
61.98830	54.1
70.74625	19.1
71.01377	66.0
71.44629	23.5
73.02924	22.4
74.02499	18.1
75.63752	17.9
87.00864	22.9
89.02445	58.9
101.02429	44.2
106.57914	23.3
109.02973	32.5
119.03496	19.7
125.02454	34.6
135.04556	36.2
156.86948	23.3
169.01443	31.7
207.08249	20.9
222.04079	19.0
288.99716	24.4
301.00000	34.4
347.00397	36.9
415.06607	22.5
415.19589	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
60.28352	0.8
61.73298	0.8
69.64396	0.8
71.01376	1.8
72.99306	1.3
85.02959	9.7
87.00893	2.2
89.02461	1.0
93.03470	3.2
109.02973	0.9
111.04535	1.3
115.00385	1.2
119.03464	0.8
127.04047	2.2
128.31020	0.8
171.02959	1.0
176.99709	0.9
191.05614	100.0
192.05901	3.8
199.79910	1.0
205.03522	1.5
313.33032	0.9
330.08163	0.8
332.04800	0.8
366.65140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69635	0.4
52.71989	0.4
53.48457	0.4
55.01883	0.5
57.23060	0.5
59.01378	5.8
61.57449	0.4
67.01886	0.9
67.48784	0.4
69.03463	0.6
69.86282	1.2
69.86630	0.6
71.01375	4.8
71.05038	0.7
73.02951	1.5
73.38789	0.4
78.01105	0.4
79.01918	0.5
82.00610	0.5
83.01406	0.6
84.95131	1.5
85.02946	2.8
89.02453	1.3
95.01391	2.2
97.02924	1.0
99.00903	0.9
101.02428	3.0
101.06059	1.2
107.01395	4.7
109.57261	0.4
111.00862	2.3
113.02472	2.0
123.00885	17.4
124.01675	10.4
124.02591	0.5
125.02455	17.9
127.00394	1.0
136.98859	0.8
137.02373	0.6
139.00375	3.4
140.01164	2.5
140.18431	0.4
141.01956	3.2
147.82915	0.4
151.00372	12.4
153.02014	0.7
163.04149	0.6
163.89235	0.4
165.02010	0.4
167.03548	0.5
168.00648	4.9
169.01427	25.5
170.01785	0.7
173.04477	0.5
177.04041	1.2
177.05579	0.7
179.03522	0.8
191.05598	4.3
192.00916	0.5
211.02469	1.9
247.02405	0.5
271.04578	1.8
275.01981	0.4
300.99661	0.5
313.05649	1.9
353.08957	1.0
415.12448	100.0
416.12698	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47573	0.8
59.01379	6.6
61.98814	3.0
62.09060	0.8
62.43953	0.8
67.01892	0.9
68.07148	0.8
68.99811	0.9
69.60303	0.7
71.01379	5.5
71.45048	1.0
73.02948	2.5
78.01083	1.8
82.00594	1.4
83.01414	1.8
85.02940	2.4
86.00091	1.1
87.00881	1.2
88.98783	1.2
89.02438	2.0
93.03463	2.8
95.01367	2.1
96.95968	1.1
99.00871	1.0
101.02435	4.4
107.01407	2.7
108.02164	2.5
109.02956	3.7
110.00101	2.1
110.03301	1.2
111.00889	7.7
113.02437	2.1
117.05573	3.9
119.03558	1.2
121.03019	1.5
123.00880	13.8
124.01663	47.6
125.02447	9.0
127.00375	2.5
131.05003	1.4
131.18938	1.0
135.04527	1.0
136.60399	0.8
136.98824	5.5
138.15552	0.8
139.00357	8.2
140.01158	12.2
143.07091	1.0
145.03046	1.2
151.00410	2.5
152.01030	1.1
153.01930	1.7
154.99808	1.5
155.10799	1.7
165.03795	1.8
168.00644	20.1
169.01421	11.8
177.05574	5.1
186.74565	0.8
191.03670	2.0
191.05624	6.4
191.07205	2.0
203.07103	1.9
213.33266	0.9
217.10889	1.6
220.07408	1.1
221.08084	4.2
224.64224	1.0
235.06110	2.3
237.07675	2.5
253.07195	2.1
254.07401	1.0
360.12906	0.9
371.13370	2.0
383.13391	1.7
415.12445	100.0
416.12662	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30610	0.2
55.01875	7.0
56.99809	0.2
57.03447	6.1
58.00596	1.1
59.01377	57.5
59.95325	0.2
60.01698	0.5
61.98823	0.6
66.56206	0.2
68.99832	0.4
69.03460	2.6
70.79182	0.3
71.01380	75.2
72.01706	1.0
72.99315	1.6
73.02946	38.0
74.03277	0.7
75.00870	1.5
81.03439	1.5
83.01386	24.8
83.05029	0.4
84.01728	0.3
84.02172	0.3
85.02948	41.0
86.00091	0.8
86.03292	0.7
87.00872	3.2
87.04529	0.4
89.02444	8.8
94.46574	0.2
95.01385	5.9
96.01694	0.2
97.02947	3.9
99.00882	9.2
99.04521	0.4
100.01185	0.3
101.02442	73.6
102.02779	1.5
103.04011	5.6
107.05029	0.8
109.02960	0.7
111.00851	0.7
113.02449	29.8
114.02775	0.7
115.04002	1.0
119.03513	2.5
121.29797	0.2
123.00881	0.4
125.02449	6.5
127.04034	0.6
129.01947	1.3
131.03529	0.4
141.01956	0.4
143.03481	4.8
145.05063	1.9
159.02991	6.2
161.04558	53.9
162.04918	1.7
163.06140	3.3
174.32280	0.3
174.71767	0.2
179.60330	0.2
187.06190	0.3
205.07153	0.6
229.07161	2.0
247.05724	0.4
247.08192	3.6
269.10291	100.0
270.10635	6.3
307.07135	0.2
307.10300	0.9
309.50372	0.2
313.63300	0.3
406.60300	0.2
415.16095	37.0
416.11478	0.4
416.16513	4.1
418.39188	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	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99763	0.4
55.34203	0.3
74.99092	6.5
77.00665	73.4
78.00603	0.3
89.36797	0.3
98.86604	0.3
147.08141	1.7
149.09711	1.4
161.09734	1.0
163.11282	2.0
187.11244	2.7
192.08151	0.4
201.60664	0.3
203.67641	0.3
265.12350	0.6
279.13882	0.7
280.14600	1.2
307.17133	0.9
309.22232	2.4
321.18597	0.8
322.19376	0.8
337.21716	100.0
338.22064	11.5
371.07254	0.4
371.11658	0.5
415.23114	17.8
416.23380	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01508	0.4
54.96143	0.4
56.98016	0.5
59.01374	1.4
60.99314	0.7
61.98826	11.9
71.01389	0.5
77.88141	0.4
85.02938	5.5
87.00879	1.1
88.98788	3.3
93.03455	1.5
101.12043	0.5
109.02935	0.6
111.04510	0.8
127.03943	0.9
135.04517	1.0
161.02426	1.2
169.78467	0.6
171.03033	0.7
173.04564	0.7
179.03523	0.9
191.05602	100.0
192.05962	3.8
225.34998	0.4
231.73589	0.6
251.54523	0.5
293.93582	0.5
353.08749	11.4
354.08945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	12.0
64.29659	0.4
66.92567	0.4
71.28001	0.5
72.01894	0.4
85.02947	4.7
87.00864	1.3
88.98814	4.1
89.01911	0.5
93.03456	2.0
109.02974	0.6
111.04525	0.8
127.04000	1.3
135.04544	1.3
161.02451	1.7
173.04524	1.4
179.03459	1.0
180.60915	0.4
191.05602	100.0
192.05986	3.3
275.83890	0.5
353.08740	11.0
354.09238	0.6
367.00952	0.5
438.48483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42202	0.9
59.01379	9.8
70.27705	1.9
77.36188	0.8
77.82073	0.8
82.94586	0.8
85.00432	7.5
87.92539	0.8
89.44738	0.9
96.15620	0.8
96.33982	0.9
103.01505	4.6
127.93143	12.2
128.95206	3.4
129.92334	1.6
131.93816	1.0
139.93153	4.3
140.93941	1.1
154.95476	14.6
155.92685	2.0
156.93452	2.4
169.92926	6.3
171.87883	1.9
171.93323	1.9
171.96992	1.3
172.94144	1.0
173.93680	17.6
173.95012	1.0
175.87379	1.3
181.92940	100.0
182.93227	1.8
186.86539	1.0
187.87320	0.9
190.95177	3.0
198.94479	21.4
198.96318	1.1
199.86102	2.5
199.98688	2.6
201.85318	1.7
203.86786	1.4
206.97189	0.8
211.86101	7.4
212.86736	0.9
212.94821	6.8
215.95987	1.3
227.85558	2.2
227.92229	24.5
228.86470	2.7
242.94572	13.4
243.94891	1.1
243.98811	2.8
244.93756	1.4
245.86644	10.3
246.86885	0.8
258.95993	0.8
259.95993	2.3
261.00366	1.1
270.87460	1.2
283.79727	1.3
285.80414	1.3
291.81885	1.9
293.77789	1.6
293.80930	27.6
298.81546	0.9
300.79340	1.0
301.80167	42.2
302.80185	1.4
306.80411	2.7
306.93158	1.3
307.78311	5.1
307.81412	2.8
308.79694	0.9
316.82480	7.3
318.80426	50.0
319.81064	4.7
329.88800	2.9
330.93143	4.2
331.80157	1.2
332.94971	0.8
333.79126	8.3
336.81485	5.6
340.38907	0.8
342.80621	2.3
343.80524	3.1
347.90573	2.4
351.80276	1.0
360.81488	44.4
361.81445	3.1
364.47723	0.9
374.81116	1.5
375.80145	2.4
376.80875	1.6
378.82523	27.4
379.82870	1.8
393.80981	1.9
416.80762	2.0
417.81378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.0
64.21924	0.6
67.66608	0.5
85.03016	0.8
89.02464	0.8
101.02428	0.8
107.01466	0.7
108.02191	1.0
109.02975	1.9
117.03462	5.3
119.05042	1.6
120.99627	0.6
125.02441	0.7
145.02951	21.5
146.03281	0.8
149.06075	1.8
151.00386	2.1
163.04039	0.6
169.06535	0.6
169.51923	0.5
183.04570	1.4
183.63240	0.7
211.03975	1.6
227.03488	69.3
228.03867	4.6
229.04953	0.7
255.02965	88.7
255.10225	1.9
256.03519	12.4
257.04410	1.1
284.03247	76.3
285.03946	28.1
286.04297	1.2
295.49747	0.6
307.08145	2.3
381.57800	0.6
417.08124	100.0
417.20538	2.1
418.08499	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.35024	0.5
59.01369	1.1
63.02410	0.7
69.26889	2.6
71.67810	0.5
94.38938	0.5
98.22600	1.1
105.03062	0.5
107.01348	1.8
108.86005	0.5
125.02555	0.5
132.02148	0.8
135.00888	1.7
141.26181	0.6
145.02925	1.6
151.00377	2.0
159.04532	1.0
163.00345	1.7
169.06493	0.9
171.04520	0.6
183.04466	1.9
185.06009	1.0
187.03969	1.7
211.03978	2.4
213.05522	1.3
219.92094	0.5
227.03482	72.1
228.03838	4.3
229.05000	6.3
239.03481	1.2
241.05072	1.0
255.02966	100.0
256.03558	13.3
257.04498	4.2
267.02963	0.7
284.03247	88.1
285.03992	80.2
286.04370	6.4
327.05069	0.9
417.08237	79.0
417.20499	1.9
418.08649	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	417.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96526	0.2
59.01369	0.7
61.77753	0.2
61.85543	0.2
70.11671	0.2
71.01374	2.8
73.02947	1.1
73.93032	0.2
74.99883	0.2
83.01384	0.3
85.02943	1.4
89.02441	0.4
95.01380	0.4
98.22672	0.7
101.02456	1.2
106.67306	0.2
108.02177	4.9
109.02212	0.5
109.02953	10.4
113.02420	1.1
117.03465	24.9
118.03812	0.8
119.05024	6.2
121.03011	0.4
135.06090	0.2
145.02950	100.0
145.91167	0.2
146.03293	4.3
160.29182	0.2
161.04619	0.4
163.04005	6.3
164.57860	0.3
187.04031	0.3
193.36108	0.2
234.35596	0.2
247.05949	0.3
307.08224	11.1
308.08527	0.8
417.11880	34.9
418.12265	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	417.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27441	0.4
59.01361	0.9
61.32105	0.4
69.28649	2.0
71.01378	2.2
73.02946	0.7
85.02935	1.5
98.21855	0.9
101.02437	1.3
108.02177	5.3
109.02954	9.9
113.02442	1.1
117.03465	27.5
118.03779	0.9
119.05018	7.1
145.02948	100.0
146.03293	3.9
151.11624	0.4
161.05937	0.5
163.04004	6.1
195.63174	0.5
227.03423	1.0
255.02940	1.5
261.95004	0.5
284.03171	1.4
307.08215	10.2
363.27298	0.5
417.11966	34.2
418.12286	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
56.77508	0.5
57.03437	1.4
59.01377	100.0
60.01712	1.4
69.33465	3.2
71.01379	30.4
73.02948	7.7
75.00866	0.7
83.01380	3.3
85.02946	11.6
87.00896	1.3
87.86930	0.6
89.02440	4.4
95.01415	1.9
97.02980	1.7
99.00905	3.1
101.02440	19.4
111.08183	1.0
113.02438	13.7
114.02790	0.7
115.04086	0.6
119.03535	2.0
120.39874	0.6
125.02480	1.7
127.73406	0.6
139.07649	11.7
143.03554	2.2
159.02991	4.1
161.04555	41.1
162.04913	1.2
165.09224	2.8
173.04471	1.0
179.05676	1.0
181.12291	1.0
183.04562	0.6
183.10292	1.5
195.10316	2.2
205.03548	0.7
227.03529	3.6
243.12268	4.1
255.02972	6.1
258.37296	0.6
357.15530	24.2
358.15808	2.9
417.17377	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
57.10346	0.7
59.01379	100.0
60.01707	1.7
61.97662	0.9
61.98843	4.2
69.67329	1.3
69.67645	1.6
71.01382	34.7
72.99299	1.4
73.02946	7.1
83.01382	3.7
85.02943	9.9
87.00883	1.6
89.02441	32.1
95.01385	2.0
99.00874	1.2
101.02446	22.8
102.02764	1.2
111.04557	0.9
113.02449	16.5
119.03513	13.0
124.01670	1.3
125.02424	2.5
131.03445	1.2
135.91611	0.9
143.03543	4.8
159.03000	1.5
161.04556	27.0
162.04871	1.8
169.01483	1.1
177.09232	4.3
179.05614	6.9
195.10278	2.0
198.03026	0.8
270.10611	1.3
271.10791	4.6
357.15530	32.0
358.15799	2.8
417.13910	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41793	0.3
55.01872	2.0
57.03445	2.1
58.00581	1.9
59.01378	100.0
60.01717	0.9
69.15704	2.4
71.01381	57.7
72.01733	0.6
72.99302	1.9
73.02947	4.4
83.01393	2.8
85.02951	12.4
86.61742	0.4
87.00880	2.7
87.04517	1.2
89.02443	68.2
90.02784	0.4
95.01374	4.1
97.02979	0.5
98.21868	0.9
99.00883	1.1
99.04517	0.4
101.02443	35.5
102.02807	0.4
113.02445	22.7
114.02766	0.6
119.03499	29.5
120.03803	0.7
125.00288	0.4
125.02467	0.6
131.03485	2.9
143.03476	5.2
145.02917	1.2
149.04543	2.8
157.04332	0.4
159.02985	0.7
161.04550	5.6
179.05620	8.2
192.05757	0.4
193.01700	0.4
194.67027	0.4
227.03481	0.4
237.11311	1.0
237.14900	1.0
247.98494	0.4
255.02986	0.4
255.19518	0.5
284.03152	0.4
340.47833	0.4
417.08313	0.6
417.20673	10.0
417.24710	15.0
418.20547	0.7
418.24991	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03447	1.5
58.00588	1.4
59.01376	100.0
60.01702	1.0
61.98817	0.5
69.29776	2.2
71.01379	59.0
72.01705	0.9
72.99291	1.3
73.02945	2.9
83.01389	2.4
85.02948	10.7
87.00874	2.5
87.04499	0.8
89.02440	71.1
90.02771	1.0
95.01402	4.0
95.17482	0.4
99.00864	0.6
99.04530	0.6
101.02440	32.4
102.02785	0.7
107.01428	0.5
113.02444	23.8
113.05997	0.5
118.89208	0.5
119.03497	30.4
120.03837	0.5
120.99602	0.5
123.00829	1.1
125.02410	1.4
131.03523	2.8
139.00352	0.5
143.03502	5.2
145.02895	1.8
149.04506	1.7
150.05554	0.6
161.04541	5.0
161.09680	1.0
168.00626	0.6
169.01338	0.8
179.05605	10.0
183.02974	1.0
190.04915	0.8
201.09039	0.5
219.03352	0.5
227.03479	0.5
231.38757	0.4
237.11311	2.7
237.14850	1.5
255.02852	1.0
263.08258	1.0
308.07993	0.5
323.10245	1.1
325.61755	0.4
339.09558	1.0
355.12970	3.9
357.26224	0.8
358.15503	0.5
385.14017	3.3
386.14188	0.5
389.29178	0.8
398.55545	0.8
417.20343	12.7
417.24838	5.2
418.20993	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	418.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	17.5
70.83910	17.4
73.56358	11.1
74.62202	10.7
78.46474	9.4
83.69210	10.1
102.70290	11.0
197.54643	12.6
231.70152	9.6
291.09143	74.5
352.91315	11.4
359.15402	100.0
375.18454	51.0
441.87186	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
57.03428	1.0
58.00599	2.0
59.01378	100.0
60.01711	1.2
69.12984	2.5
69.13394	3.2
71.01379	47.9
72.01710	0.8
72.99310	1.5
73.02946	1.9
83.01386	1.4
85.02956	7.9
87.00334	0.9
87.00852	2.1
87.04520	1.4
89.02444	62.5
95.01382	3.0
95.05054	6.3
98.22611	1.8
99.04483	1.4
101.02441	25.2
113.02451	18.9
119.03504	27.6
125.63050	0.8
131.03505	3.2
136.39952	1.0
143.03511	3.8
149.04547	1.9
155.13837	1.3
161.04576	3.3
163.10004	1.5
163.11295	20.6
163.12651	1.1
179.05557	8.0
185.59386	1.0
203.71013	0.9
207.10262	7.5
213.09357	1.5
225.11328	7.3
239.12891	34.7
240.13289	2.6
273.00693	1.0
419.22928	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.75639	1.0
61.98810	0.9
71.01374	6.8
73.02937	1.2
85.02966	0.9
89.02448	6.9
93.96440	0.8
97.06604	2.1
101.02444	4.3
112.91857	0.9
113.02435	2.7
119.03503	3.0
120.33497	0.8
125.02456	1.6
133.01387	1.4
143.03545	0.9
153.12848	19.8
154.13181	1.1
161.04575	1.8
162.95891	0.9
168.42810	0.9
179.05605	2.2
179.10800	5.6
181.12312	0.9
191.80972	0.8
197.11821	34.3
197.15654	1.2
198.12216	1.6
269.83926	1.0
344.52478	1.0
419.16617	1.6
419.22595	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	420.2753
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
58.66743	0.5
59.01355	1.0
59.41024	0.5
61.82408	0.5
61.98817	0.5
62.06628	0.5
68.33839	0.5
74.56245	0.5
95.01421	0.6
98.22654	1.9
116.97076	0.5
121.02951	100.0
122.03260	2.6
123.45742	0.5
125.87321	1.2
127.87025	19.0
155.90140	1.5
159.86000	5.0
184.05927	0.5
186.61740	0.5
199.89131	2.1
249.25601	0.6
420.03772	1.1
420.27530	63.9
420.98480	1.3
421.27936	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	421.075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01374	1.6
61.96399	0.2
63.90482	0.2
67.01890	0.4
69.03470	0.2
69.63475	0.3
69.63832	0.3
71.01388	0.9
73.02933	0.5
81.03440	0.5
83.05020	0.4
85.02946	10.5
87.00874	2.2
93.03455	3.5
99.04482	0.3
108.73016	0.1
109.02953	0.9
111.04497	1.2
127.04015	2.7
137.02443	0.2
171.03014	0.5
173.04541	1.6
177.84875	0.2
191.05600	100.0
192.05940	3.8
273.03839	0.2
421.07538	5.5
421.12943	0.4
422.08011	0.4
449.03705	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	421.1141
Annotation	Amburoside A
Peak:m/z	Relative Intensity
57.03413	1.1
59.01376	6.9
61.98822	1.8
67.01860	0.9
70.81201	1.2
71.01379	15.6
72.99309	1.0
73.02954	4.6
81.03460	2.3
83.01397	2.8
85.02939	7.7
87.00895	1.3
89.02448	2.3
91.01897	2.8
93.03463	2.2
95.01393	5.3
96.99303	1.4
97.02968	1.0
99.00889	1.4
101.02434	8.6
106.54739	0.8
107.01394	7.3
108.02174	69.6
109.02962	59.0
110.03290	2.0
111.00861	2.7
113.02438	7.2
119.03571	0.8
122.03761	1.1
123.00901	6.9
123.04529	13.3
124.01664	2.5
125.02449	3.6
137.02432	1.4
138.03279	1.9
145.23018	0.8
151.00359	6.5
151.04002	2.0
152.01144	16.0
153.01953	13.7
161.04552	1.9
163.72021	0.9
166.02744	2.7
167.03496	44.1
168.00520	0.9
168.03860	1.0
209.04413	1.1
215.07471	0.8
222.04802	0.8
259.06094	4.3
281.06747	4.1
296.05545	3.8
297.06152	7.1
311.07721	59.8
312.07999	4.0
345.10800	1.2
406.09036	1.2
421.11398	100.0
422.11807	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49258	11.8
59.01381	63.0
59.27415	11.1
59.29141	10.7
59.85181	10.8
69.42531	62.4
71.28871	12.5
73.68269	11.4
95.01406	19.0
97.86720	12.3
101.02440	13.9
108.53031	11.3
123.00938	24.9
123.06593	12.9
127.90331	12.3
133.43076	13.7
135.11148	13.5
143.83212	13.8
146.77422	11.9
168.00356	11.6
169.56903	10.9
177.89418	12.2
199.55096	14.8
243.75528	14.2
259.05951	19.9
336.99792	16.4
392.98782	46.3
420.98392	100.0
421.07825	32.4
421.24536	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27134	6.0
59.01369	29.9
61.98793	7.5
70.79986	11.0
71.01382	13.2
84.76278	6.7
95.01382	14.8
103.52460	6.4
108.02162	21.0
114.78941	6.7
123.00880	20.0
134.03754	8.6
149.06065	31.5
155.10757	13.3
161.04614	8.5
164.04710	6.9
166.99849	7.5
199.09737	12.0
205.38573	6.0
217.10576	7.9
223.06055	9.8
256.97125	7.4
259.09525	10.5
259.11816	20.3
291.04984	7.0
295.08093	8.5
368.14694	6.6
385.97888	7.5
420.98236	9.5
421.07532	20.7
421.16333	100.0
422.08072	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54804	15.3
55.79427	18.3
58.76625	16.5
59.01383	39.5
61.98830	19.3
71.01376	20.5
98.22637	51.6
101.02466	15.9
123.00896	27.8
153.02007	15.4
169.01393	29.6
183.87968	14.4
258.01495	19.3
259.02457	100.0
300.99796	21.3
420.98422	19.3
421.06967	28.3
421.11438	45.5
421.16226	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54273	6.1
59.01385	31.7
69.41362	31.2
70.03024	6.8
70.82023	9.6
71.05024	11.7
73.02940	14.9
89.02444	10.7
95.01380	13.7
96.95997	13.6
100.00020	7.2
123.00871	25.1
137.41750	6.8
139.00426	12.7
146.08243	26.0
166.99823	15.8
167.07118	22.6
171.14276	8.8
241.10832	24.1
258.01700	8.9
259.40192	7.5
277.12225	34.3
398.92102	6.6
421.07739	68.3
421.16418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.0
66.10022	6.6
66.64617	6.2
68.59734	6.5
70.97417	9.9
71.01394	15.1
85.02966	9.1
88.23210	7.0
89.02448	10.9
95.01392	8.7
116.64300	6.6
197.11850	18.9
214.01988	6.6
214.96989	6.4
241.10658	26.4
259.05905	6.6
274.88113	7.4
336.99701	6.9
403.27359	7.6
421.07718	13.4
421.16245	100.0
421.28125	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	421.1631
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01375	61.1
61.98833	7.1
69.11887	36.0
71.01377	17.5
73.02945	9.5
77.48333	5.0
84.54202	6.0
89.02433	8.6
95.01347	8.6
101.02447	17.6
107.01368	10.7
107.05029	18.8
109.02995	7.0
109.92380	5.2
113.02479	5.4
120.82669	5.1
120.99659	7.6
123.00872	31.9
125.02441	27.7
144.84554	6.2
145.02922	14.8
146.03281	8.4
151.00366	8.5
166.99788	7.8
169.01408	45.0
182.47603	5.1
199.04108	9.6
266.99332	10.8
313.05167	8.0
313.08496	9.6
325.59021	5.3
336.99713	7.4
364.99069	11.1
392.98907	18.9
420.98627	46.3
421.11349	91.0
421.16364	100.0
421.28220	9.5
422.11899	8.0
422.16687	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	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17130	0.9
55.01888	1.1
56.84568	0.9
57.03441	1.0
59.01379	46.6
60.01709	1.0
65.00334	1.0
69.23788	3.6
71.01384	18.5
73.02946	43.9
78.42467	0.9
80.32942	0.8
82.55249	0.9
82.95417	37.6
84.18350	1.0
85.02940	3.7
88.01933	0.9
88.82272	0.9
89.02440	15.6
95.01395	7.4
97.06580	1.1
98.21893	1.8
99.04527	0.9
101.02450	8.0
105.07100	2.8
107.05026	3.2
108.02210	1.4
109.02933	1.4
113.02472	6.7
119.03510	4.8
121.06574	1.2
121.52798	0.9
123.00879	9.4
123.08160	20.6
124.01670	1.2
128.03552	1.1
139.00388	1.7
143.04645	1.9
146.09898	0.9
166.99854	3.5
167.07133	100.0
168.07495	5.1
169.01422	1.5
179.05634	3.0
179.10751	2.9
187.03984	1.3
197.11850	9.5
223.09790	1.2
241.10808	79.5
242.11122	5.6
259.11884	7.6
301.12823	2.1
306.07678	3.1
347.13434	4.8
421.08444	11.5
421.17120	75.7
422.08063	1.4
422.17477	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	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
59.01380	44.2
69.73127	1.8
69.73473	2.8
71.01387	16.8
73.02945	45.8
81.64696	0.9
82.95409	10.8
83.01382	1.5
85.02944	3.7
86.02483	1.1
89.02442	19.0
89.46765	0.8
91.04333	0.8
95.01387	4.9
101.02445	8.8
105.07077	2.5
107.05000	2.6
108.02143	1.8
113.02438	6.1
119.03486	5.8
121.06615	1.4
123.00881	5.4
123.04469	1.3
123.08159	20.1
124.08427	0.9
143.04590	1.5
152.59274	0.9
166.99857	2.6
167.07138	98.7
168.07448	4.5
179.05632	3.2
179.10756	3.0
185.08363	0.9
197.11806	9.9
200.32852	1.0
223.09743	1.8
241.10808	96.6
242.11244	6.5
242.13344	1.2
259.11880	5.8
301.13004	1.4
306.07629	2.7
347.13351	5.4
376.64462	1.0
421.08820	8.3
421.17139	100.0
422.17517	7.4
434.40424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82198	0.6
59.53425	0.6
67.86108	0.6
68.30800	0.6
70.05246	0.7
80.91673	2.4
95.10612	0.6
97.35049	0.6
144.29207	0.5
163.11281	100.0
164.11646	4.6
227.77048	0.7
256.88293	0.6
339.23273	66.8
340.23602	9.7
421.22128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.9995
Annotation	Eschweilenol B
Peak:m/z	Relative Intensity
59.01374	1.0
61.98843	0.4
62.49377	0.2
63.40994	0.2
65.00336	1.2
69.92004	0.7
71.01364	1.6
73.02936	0.5
79.01867	0.4
83.01377	0.3
85.02950	1.0
87.00885	0.4
89.02439	0.6
95.01373	0.5
99.00822	0.4
101.02445	0.9
104.95950	0.2
107.01376	1.3
108.02200	1.7
109.02955	3.3
111.00903	1.0
113.02454	0.7
123.00877	4.1
124.01692	2.3
125.01529	0.4
125.02438	7.2
137.02504	0.4
139.00389	0.7
140.01149	0.4
141.01953	0.9
151.00357	3.0
161.04565	0.3
165.03560	0.3
168.00658	0.8
169.01427	8.7
169.02759	0.4
171.04544	0.3
181.02953	0.5
193.02940	0.6
200.01096	0.5
209.02470	0.4
211.03998	0.4
221.02446	1.0
223.04010	0.4
226.99797	0.5
237.02040	0.9
239.03491	0.3
242.99467	0.8
249.01779	0.5
251.03297	0.4
253.01443	0.3
254.99496	0.3
255.02937	0.3
265.01364	0.7
266.02179	0.4
266.99451	0.6
267.02939	0.8
268.00159	0.9
269.00894	0.9
270.98871	3.0
271.72101	0.3
277.01431	0.5
277.16599	0.8
283.02365	0.4
283.99649	1.3
285.00351	1.4
293.00912	2.2
294.01505	0.7
295.02515	1.4
297.00385	2.3
298.01068	1.5
298.98358	0.9
299.01581	0.3
299.99115	2.8
300.99493	0.4
305.00870	0.4
306.01678	0.4
307.99573	0.6
309.00317	1.8
310.00931	0.3
311.01999	3.1
313.05594	1.8
321.00333	1.9
322.01105	1.7
322.98495	0.4
323.01843	2.1
323.99100	1.0
324.99948	1.2
333.00372	1.0
336.99863	1.2
339.01343	1.3
348.99814	0.9
350.00641	0.3
351.01593	0.9
360.99710	0.3
367.00885	0.8
376.99341	3.7
377.99881	0.5
379.00830	1.1
395.00006	1.1
404.98843	2.0
405.99420	0.4
422.99948	100.0
423.08798	22.4
424.00272	9.7
424.09094	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	423.0933
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
50.20658	0.3
59.01373	1.0
61.31262	0.3
67.60626	0.3
69.03447	1.1
69.66040	0.7
69.66430	0.7
71.01364	0.4
71.70439	0.3
73.02909	0.7
74.02379	0.3
77.43350	0.3
79.01879	0.5
81.03473	0.9
93.40401	0.3
97.02939	1.1
98.21878	0.3
101.02433	0.4
102.15366	0.3
107.01362	1.9
108.02183	1.5
109.02975	2.1
113.02428	0.4
123.00890	2.2
124.01672	6.4
125.02444	100.0
126.02798	2.8
135.00891	1.2
135.84761	0.3
137.86131	0.3
141.01854	0.4
151.00375	2.9
168.00630	0.5
169.01418	5.7
253.42270	0.3
260.03320	1.9
261.04022	16.2
261.13409	1.2
262.04327	1.2
313.05774	0.8
423.09323	61.6
424.09653	5.6
428.26138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
63.56145	0.7
63.79832	0.7
67.01896	0.9
69.03472	1.0
69.23304	3.4
71.01369	5.7
73.02943	1.3
74.23679	0.7
81.86423	0.7
83.01418	0.8
85.02934	3.6
95.01389	3.0
97.02936	1.1
98.22657	1.0
100.26114	0.7
100.56203	0.7
101.02451	3.8
107.01395	7.3
108.02194	5.9
108.17545	0.8
109.02956	23.8
111.00870	2.0
113.02449	4.5
122.99982	1.2
123.00884	20.7
123.04514	0.8
124.01674	17.8
125.02447	43.1
126.02782	1.9
127.00277	0.8
136.98837	1.3
139.00365	3.2
140.01120	2.2
140.86256	0.9
141.01924	3.3
151.00360	20.2
151.04054	1.0
152.00798	0.7
153.01965	1.0
161.04529	1.1
163.04071	0.9
168.00652	10.3
169.01418	80.3
170.01784	3.9
179.03484	1.0
181.04922	0.9
211.02486	1.9
223.02495	1.6
246.23842	0.8
297.06168	1.4
313.05634	16.4
322.16440	0.8
336.18121	0.9
357.79178	0.8
423.09317	100.0
424.09744	6.7
445.22147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.093
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.91764	0.5
59.01371	0.9
59.19639	0.4
67.01856	0.5
69.03436	0.9
69.15707	1.2
69.16115	1.9
71.01375	4.8
73.02937	1.1
78.01091	0.7
79.01866	1.0
81.03453	1.3
82.00563	0.6
83.01381	0.8
83.91388	0.6
85.02940	2.3
95.01382	2.6
97.02949	0.9
98.22618	0.8
99.00883	0.8
101.02456	2.2
107.01389	9.2
108.02181	7.7
109.02950	21.4
110.03268	0.6
111.00885	1.9
113.02431	1.3
123.00887	18.1
124.01659	17.8
125.02447	38.5
127.00378	0.5
136.98755	0.6
139.00400	2.6
140.01144	2.1
141.01938	3.2
151.00368	9.2
153.01939	0.9
168.00645	3.7
169.01421	39.3
170.01753	0.9
190.50667	0.5
211.02373	0.7
253.03627	0.7
313.05630	8.5
423.09311	100.0
424.09634	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	423.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75690	0.6
53.16978	0.6
56.61963	0.6
59.01352	1.1
67.01884	2.2
69.03435	1.6
69.69186	0.6
69.70590	1.2
69.70939	1.6
69.89148	0.6
71.01372	6.3
73.02945	2.5
76.58439	0.7
79.01882	4.1
83.01381	1.1
85.02945	2.8
90.75856	0.7
95.01394	6.1
97.02948	2.5
101.02443	3.9
107.01395	1.1
108.02173	51.3
109.02973	17.2
113.02442	2.5
114.06931	0.7
121.02988	1.6
123.00890	66.8
123.04510	2.1
124.01637	2.7
125.02469	8.1
133.02979	1.6
138.99466	0.7
139.00383	5.0
141.01947	12.4
151.00374	61.4
151.03935	4.3
152.00735	2.7
159.02989	0.7
161.04567	3.0
163.04030	2.3
168.00623	1.4
169.01401	14.4
170.01776	0.7
198.26028	0.8
261.04022	7.4
271.08228	1.3
313.05667	2.4
318.01941	0.7
345.79337	0.7
423.09305	100.0
424.09601	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.4
61.84300	1.8
61.98826	13.9
69.65211	7.3
71.01369	8.1
73.02929	2.6
82.32945	1.8
85.02952	2.4
89.02441	3.6
95.01391	2.3
98.22596	3.3
101.02428	5.8
103.29411	1.6
107.01372	5.7
108.02167	6.6
109.02950	18.6
111.00886	2.5
112.52036	1.8
113.02451	4.4
113.41995	1.7
123.00865	16.8
124.01650	6.3
125.02454	29.5
125.09728	7.3
126.02780	2.3
139.00365	3.8
140.01147	2.5
141.02037	3.6
151.00339	10.3
161.04565	2.1
168.00661	3.9
169.01422	39.7
170.01756	2.2
175.08528	2.0
187.09708	10.3
193.46500	1.8
207.01215	2.3
224.49069	1.9
313.05588	8.0
317.01300	3.3
405.02783	2.4
423.00357	3.4
423.09277	100.0
423.17685	13.5
424.09482	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86480	1.1
57.03430	1.2
59.01381	10.5
61.98831	25.5
69.03444	1.5
69.21378	7.4
71.01382	8.0
73.02974	2.1
73.52817	1.3
83.01392	1.4
85.02944	3.9
88.73738	1.3
89.02453	2.8
95.01407	1.3
101.02439	3.4
104.19775	1.1
107.01399	4.8
108.02161	9.4
109.02953	18.6
111.00869	1.7
113.02454	4.3
123.00898	15.1
124.01679	8.0
125.02455	28.8
125.09724	7.9
139.00386	2.5
140.01167	1.3
141.01906	4.0
151.00369	13.4
155.10831	1.5
160.63327	1.1
161.04509	2.1
168.00655	4.3
169.01416	38.8
170.01770	1.6
187.09778	9.2
193.01373	1.6
199.09767	3.1
295.86481	1.3
313.05640	6.5
423.00003	3.8
423.09326	100.0
423.17929	13.9
424.09610	8.5
424.18680	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	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58865	0.6
51.27777	0.6
57.00892	0.8
59.01371	3.1
61.98822	3.0
68.95596	0.7
71.01382	6.3
72.24864	0.7
73.02935	2.1
79.01885	1.5
83.01378	1.2
85.02953	3.0
89.02411	1.7
95.01387	2.1
97.02984	0.9
101.02419	3.3
107.01402	4.6
108.02184	8.2
109.02959	15.7
110.03287	0.7
111.00871	1.6
113.02451	2.3
119.03453	1.4
123.00890	15.1
123.51738	0.7
124.01672	8.1
125.02444	31.9
139.00406	3.2
140.01147	2.4
141.01967	3.2
151.00378	11.7
153.01894	0.7
161.04543	1.4
168.00620	4.8
169.01424	41.2
170.01741	1.5
176.38286	0.8
211.02432	1.0
223.02426	1.0
231.60028	0.7
243.06680	0.8
251.94101	0.7
260.32870	0.7
270.98767	1.7
287.80679	0.7
298.98355	2.9
299.99091	2.8
313.05673	8.2
378.49435	0.7
422.99896	9.1
423.09308	100.0
423.17722	17.4
424.00351	1.4
424.09692	9.7
424.18582	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	424.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11697	0.4
54.92613	0.4
55.94214	0.4
56.44082	0.5
59.01381	1.7
60.58728	0.4
61.98827	100.0
66.73907	0.4
69.52352	1.0
69.52747	1.4
71.01374	0.8
73.02948	0.6
96.95995	0.6
101.02449	0.6
108.02186	1.2
108.39441	0.4
109.02971	4.0
113.02471	0.6
125.02470	1.1
127.07651	1.0
151.00465	0.5
155.10776	7.2
161.04646	0.7
169.01425	1.0
170.01816	0.5
172.01706	1.3
199.09760	12.1
199.11528	0.8
200.10144	0.9
216.00635	0.8
228.00584	0.9
229.01320	0.5
244.00134	1.0
270.98935	1.8
271.99619	1.2
282.98822	0.8
283.99750	0.5
298.98346	3.3
299.99103	18.0
300.99899	12.1
327.94241	0.5
351.81854	0.5
361.15292	0.8
379.62094	0.5
424.09698	5.6
424.18210	0.6
425.01480	6.1
425.14594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2494
Annotation	Lythranidine
Peak:m/z	Relative Intensity
61.98839	1.0
71.19318	1.2
79.23891	1.0
86.02478	55.0
90.96088	1.0
105.26698	0.8
125.02475	1.3
147.08203	3.1
149.09770	1.6
149.10855	0.9
161.09741	2.2
163.11319	4.7
169.01434	1.2
187.11349	2.6
279.14081	1.5
280.14700	1.4
299.99149	2.8
300.99792	1.4
307.17422	1.0
309.22195	2.7
337.21716	100.0
338.21973	10.6
424.09714	7.2
424.24927	65.4
425.25336	7.6
448.10712	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	425.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77278	0.1
58.23386	0.1
59.01364	0.6
61.98833	0.2
65.00326	0.2
65.87584	0.1
69.38271	0.7
73.02930	0.4
74.03253	0.2
79.48083	0.1
80.47153	0.1
80.94953	0.1
85.02937	0.2
101.02464	0.2
107.01343	0.2
108.02185	0.3
109.02962	0.4
110.02624	0.1
116.02671	0.5
119.01386	0.2
123.00843	0.3
124.01667	0.2
125.02448	1.9
126.02765	0.4
127.02896	0.4
129.03444	0.2
132.02194	1.0
144.02168	2.2
145.02914	0.6
147.00827	0.3
147.04485	0.2
148.01610	0.2
151.93340	0.1
156.02141	0.2
157.02956	0.3
160.01680	1.3
169.01385	0.6
170.01668	0.2
172.01653	7.8
173.02391	0.9
185.02411	1.1
187.00386	0.5
188.01187	0.8
189.01712	0.2
190.02643	0.5
191.05557	0.2
199.00305	0.9
200.01134	3.3
201.01813	1.1
202.17706	0.2
211.92062	0.2
213.02037	0.2
214.99907	0.7
216.00624	5.7
217.01187	0.6
226.99907	1.1
228.00612	6.3
229.01320	2.0
230.01736	0.2
242.99266	1.7
244.00108	7.7
245.00810	1.1
254.99350	0.7
256.00064	0.2
257.00797	0.8
261.03976	0.2
261.13498	0.2
262.13675	0.3
270.98831	8.3
271.99594	7.9
273.00101	0.5
282.98831	5.5
283.99573	1.7
285.00278	0.4
298.98322	22.7
299.99088	100.0
300.99829	60.8
302.00198	4.2
362.39233	0.2
402.10831	0.1
424.09518	0.7
425.01492	18.1
425.09808	1.9
426.01926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64612	0.6
55.85626	0.5
59.01370	1.3
60.98141	0.5
61.98845	1.1
69.29520	3.2
71.01433	0.7
84.89447	0.5
95.98125	0.5
107.77666	0.6
112.29206	0.6
116.02740	0.6
121.12373	0.5
125.02446	1.2
132.02168	1.8
144.02174	3.1
160.01675	1.7
169.01421	2.0
172.01666	9.3
173.02269	0.7
185.02487	1.4
188.01109	1.4
190.02809	0.7
191.03349	0.6
199.00505	1.0
200.01140	4.3
201.01796	0.8
214.99802	0.6
216.00623	7.4
217.01128	0.6
218.61426	0.5
226.99889	1.2
228.00635	5.8
229.01399	2.4
238.06363	0.6
242.99350	1.7
244.00108	8.4
245.00714	1.5
254.99347	1.3
270.98804	9.0
271.99600	8.2
273.07663	1.7
282.98843	7.1
283.99585	5.2
285.00375	3.8
298.98325	22.1
299.99097	100.0
300.99832	58.7
302.00259	3.7
396.49191	0.6
424.09622	0.9
425.01447	23.4
425.09912	1.2
426.01700	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	425.0146
Annotation	Eschweilenol A
Peak:m/z	Relative Intensity
59.74227	0.3
64.73141	0.4
69.90353	0.7
83.16469	0.3
98.21941	0.5
109.02959	2.7
114.22842	0.3
116.02676	0.6
117.03471	0.4
125.02409	1.0
129.03516	0.4
132.02132	1.0
141.61835	0.3
143.69785	0.4
144.02200	2.7
145.03024	0.4
153.01930	3.8
157.03067	0.3
160.01633	1.6
171.00868	0.5
172.01653	9.3
173.02289	1.1
185.02473	1.3
187.00378	0.6
188.01112	0.9
199.00383	1.0
200.01147	4.3
201.01912	1.1
203.07202	0.4
214.99797	0.9
216.00633	6.3
226.99905	1.2
228.00629	6.4
229.01402	2.2
242.99333	2.0
244.00104	7.4
245.00856	1.0
254.99274	0.9
256.00201	0.5
257.00940	1.1
270.98807	7.5
271.99579	7.1
273.00000	0.6
282.98849	5.6
283.99591	6.8
285.00351	5.4
289.07111	2.3
298.98318	23.7
299.99088	100.0
300.99835	58.7
302.00214	3.8
425.01492	27.8
426.01923	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	425.015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65905	0.4
59.01376	1.7
61.19774	0.4
61.98828	15.9
66.15478	0.4
71.01378	1.2
73.02944	0.7
75.83424	0.4
79.37753	0.3
80.61497	0.4
83.01372	0.5
85.02947	0.6
88.03157	0.4
101.02445	0.8
106.30824	0.3
108.02174	3.3
109.02946	9.5
109.06609	1.3
116.02721	0.5
117.03397	0.4
125.02438	0.8
127.07652	3.0
132.02176	1.6
132.56601	0.3
144.02170	2.5
145.02913	0.6
147.04523	0.6
153.05612	0.4
155.10800	1.1
156.02238	0.4
157.02939	0.5
160.01682	1.9
161.04520	0.5
163.03996	0.5
163.49591	0.4
171.06647	1.0
172.01651	8.9
173.02322	1.3
177.05635	0.7
185.02477	2.0
187.00304	0.7
188.01138	1.1
189.44933	0.4
195.06587	0.4
199.00372	0.6
199.09709	1.9
200.01154	4.6
200.10185	0.7
201.01872	1.7
214.99823	1.0
216.00633	6.7
217.01231	0.5
226.99825	1.4
228.00618	6.0
228.99292	0.4
229.01381	3.2
242.99300	2.8
244.00096	8.7
245.00833	1.3
254.99403	1.0
257.00867	1.4
270.98834	7.7
271.99600	6.7
272.99771	0.6
282.98849	5.5
283.99554	4.0
285.00351	0.7
298.98331	18.8
299.99097	100.0
300.99850	85.1
302.00229	6.5
365.21881	0.5
380.04388	0.4
424.09985	0.5
425.01477	36.4
425.14163	3.3
426.01898	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
60.99305	12.5
61.98814	0.8
66.57560	0.4
69.40063	1.6
69.55418	0.4
71.01388	1.6
72.10624	0.4
73.02948	0.8
78.91884	0.7
79.95719	0.6
83.01390	0.7
85.02958	0.8
87.00876	0.6
88.98805	100.0
89.02476	0.6
89.99149	1.5
91.80099	0.4
96.96014	19.3
99.00912	0.5
101.02455	1.2
109.02970	1.1
111.00861	0.5
113.02470	1.1
115.00384	0.8
123.04501	0.6
125.02421	1.2
149.06094	2.4
161.02446	1.3
161.04643	0.5
167.03468	0.6
169.01437	0.9
174.25130	0.4
175.02553	0.6
175.03955	0.7
177.01903	1.0
191.05623	0.5
193.05045	0.8
200.49867	0.4
206.02074	0.5
212.32179	0.4
219.02979	1.0
221.04446	0.6
233.04504	0.9
235.11899	1.9
237.04085	1.1
277.03552	1.6
293.06570	0.7
298.31686	0.4
301.00446	0.4
302.00024	0.6
315.60324	0.4
337.05624	2.3
338.05908	0.4
381.17627	3.7
426.55154	0.8
427.12332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.7
61.98830	10.5
64.70584	4.3
70.59618	9.5
87.00886	21.8
99.00891	19.3
99.92588	30.1
100.93372	19.0
107.64259	4.4
112.96667	5.8
115.00377	35.5
115.92076	30.5
116.92864	78.4
144.19794	5.3
145.01318	6.6
151.04074	11.6
164.04878	9.3
174.01721	8.3
175.02487	25.5
175.07707	4.9
200.84576	5.4
215.07034	13.7
217.08711	10.1
219.10292	5.8
221.15172	5.0
229.08638	14.7
231.10258	21.4
241.08754	5.1
242.45290	4.9
243.06630	11.6
243.10168	8.1
245.08217	25.6
247.09624	12.4
259.09735	34.3
273.07651	38.9
275.09198	17.3
287.09250	14.1
291.08804	27.5
293.04901	8.9
303.08780	13.1
322.05154	7.4
329.10342	14.1
331.08170	100.0
332.08606	7.4
350.04086	5.0
373.10907	11.6
387.09348	5.5
391.11630	10.8
427.14212	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01207	1.8
52.01475	1.7
55.01874	4.3
59.01375	11.0
62.12019	1.7
67.79385	1.7
69.03461	2.9
69.22334	11.1
71.01381	47.9
72.58193	1.8
73.02953	15.0
74.39305	1.9
81.03445	4.0
83.01377	18.4
83.05026	27.6
85.02946	19.8
93.03455	39.6
95.01419	4.6
99.00874	8.7
99.04508	3.5
101.02440	25.8
108.02171	77.9
109.02961	62.6
110.03252	3.9
111.00879	24.6
111.04519	100.0
112.04877	3.2
113.02449	19.3
121.02950	2.3
123.04512	2.5
125.02439	5.4
127.04000	2.5
137.02446	41.5
143.03474	4.3
151.03993	7.9
155.03506	56.2
156.03777	2.2
159.02968	5.7
161.04552	58.5
163.03926	3.1
169.01466	3.3
172.02229	2.0
173.04515	14.6
213.81165	2.1
264.07690	1.8
268.44193	2.3
271.08212	20.8
281.06635	2.7
299.07712	4.0
327.07077	3.5
391.03891	2.0
391.09995	2.9
409.11011	2.1
427.04944	1.6
427.10312	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.4
64.85480	0.4
69.77175	0.4
71.01378	4.2
79.05740	0.4
83.01402	0.4
85.02947	0.7
89.02436	3.0
91.01915	0.5
95.01395	0.6
96.96008	1.1
96.96923	0.7
98.22677	0.8
101.02434	1.7
108.02169	7.8
109.02951	19.4
110.03296	0.7
111.00863	1.4
113.02464	2.0
116.06200	0.4
118.89410	0.4
119.03498	1.6
123.00888	0.7
123.04507	1.7
124.01630	0.8
135.00928	0.4
136.75620	0.4
139.00356	0.4
143.03523	0.4
149.02367	0.7
151.04007	1.7
152.01158	13.7
153.01942	30.2
161.04593	0.5
167.03468	1.4
179.05620	1.8
195.02982	56.4
196.03328	2.3
225.04045	1.6
238.88142	0.4
247.09608	0.6
249.34666	0.4
255.05106	100.0
256.05441	5.2
299.99155	0.5
300.99915	0.6
301.99591	0.7
312.99832	1.2
315.07263	1.3
323.97208	0.5
345.11105	0.5
408.56998	0.4
427.02686	0.8
427.16058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03447	1.2
59.01378	64.5
60.01709	1.1
62.46576	1.0
68.90932	1.0
69.03442	1.5
69.55644	2.9
69.55983	1.8
71.01382	24.6
73.02943	17.6
83.01382	9.1
85.02936	15.4
87.00878	1.4
88.03046	1.2
89.02439	3.7
89.82576	1.1
94.99905	1.1
95.01386	2.2
96.95994	2.8
98.95618	5.0
99.00883	4.9
101.02443	33.3
102.02763	1.5
103.04036	1.7
109.02966	1.6
111.00887	7.1
113.02451	13.9
115.92088	1.1
123.00919	1.4
125.02429	3.0
129.01970	1.2
143.03488	1.7
159.03008	1.5
161.04535	11.7
191.05606	3.3
221.10298	76.9
222.10678	2.6
302.00031	1.2
367.16058	100.0
368.16434	7.9
427.02109	1.6
427.09930	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	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03447	1.8
57.20347	0.9
59.01376	62.1
69.23167	2.4
69.23561	2.1
71.01006	2.0
71.01379	25.9
71.01969	1.0
73.02938	15.2
82.95394	1.4
83.01377	10.1
85.02945	15.7
87.00880	1.9
89.02441	3.9
95.01387	1.3
97.02949	1.6
98.95629	1.8
99.00871	5.0
101.02438	32.7
108.02189	1.2
109.02985	1.7
113.02441	14.3
119.03500	1.3
123.04531	1.2
125.02416	2.7
143.03510	1.7
145.02914	1.2
159.02982	2.5
160.93231	1.1
161.04556	12.9
169.01357	1.4
188.04782	3.1
190.15274	0.9
191.05675	1.3
203.07152	2.8
205.01596	1.3
206.05888	1.5
221.08231	6.7
221.10263	74.9
222.10626	3.4
367.16052	100.0
368.16452	7.4
391.03387	1.6
427.10385	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	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	52.2
61.21060	19.5
63.68017	20.3
67.37772	21.4
78.14673	23.1
100.93765	22.9
104.91371	22.2
115.08188	20.3
212.56288	25.4
229.16360	21.2
373.92133	21.3
422.35324	26.5
427.22119	30.6
427.27286	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	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67601	7.1
59.01377	100.0
61.98832	55.6
69.39745	35.4
71.01385	57.3
71.10312	6.8
85.02950	12.3
89.02436	98.0
93.99393	6.2
94.00095	9.2
95.01334	9.7
101.02427	25.9
108.02166	12.7
109.02954	14.0
113.02457	24.5
115.04067	8.5
119.03497	37.1
125.02468	8.8
131.98175	7.4
143.03499	8.7
145.02940	9.4
161.04498	19.5
169.01463	11.5
174.88422	7.8
179.05627	82.3
193.01335	11.6
286.30499	7.9
300.99426	11.7
301.99655	8.8
302.99933	23.5
388.36282	7.9
428.09671	20.9
428.19177	22.1
429.13864	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.2
69.43662	16.5
69.44048	13.7
70.91591	6.5
71.01379	27.9
85.02961	11.9
89.02437	19.0
93.03444	26.2
98.22590	16.2
101.02425	13.4
101.36639	6.3
108.02170	27.6
108.45513	6.7
109.03003	39.3
110.03252	8.5
113.02442	10.9
118.91813	7.5
137.02446	61.3
138.02768	17.2
205.12381	8.8
281.06689	28.9
282.06952	21.7
312.10721	6.7
391.10309	65.7
392.10666	100.0
393.11005	12.7
397.14456	6.9
428.19498	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	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26781	10.3
59.01380	100.0
69.76077	38.0
71.01379	38.3
81.01064	9.9
89.02443	12.8
101.02462	26.7
108.98281	11.1
113.02470	10.3
179.05670	15.3
181.12280	16.0
216.92570	11.5
234.67337	10.2
247.09517	20.3
248.09856	51.2
313.88284	11.6
348.29327	12.7
428.15796	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38100	2.5
57.03443	8.3
58.30330	3.2
59.01378	97.2
69.15681	14.1
71.01378	60.5
83.01414	2.5
85.02942	14.0
87.00873	5.1
89.02446	100.0
99.04525	2.9
101.02441	48.8
107.51579	2.5
113.02441	28.5
119.03506	47.9
126.97585	2.8
131.03526	5.1
143.03464	9.7
149.04459	2.7
159.02910	2.9
161.04553	14.3
165.09177	35.8
165.61281	2.6
179.05629	27.8
184.06934	2.8
187.11339	4.7
205.12349	5.2
302.00229	3.1
385.18665	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17199	4.3
59.01380	100.0
61.98834	32.6
67.83189	4.5
71.01389	34.9
73.02921	6.5
75.24178	4.8
85.02950	9.2
87.00910	6.0
89.02444	54.7
92.11364	5.6
99.04533	4.6
101.02454	29.3
108.02154	12.2
109.02937	59.0
113.02461	18.6
118.97845	5.4
119.03505	22.8
120.99631	4.9
121.02980	5.3
143.03586	6.3
161.04597	16.0
165.09181	14.1
168.32355	5.0
179.05545	10.6
189.01945	5.7
205.12286	5.4
263.09369	6.8
275.09018	6.2
341.10471	6.9
360.42154	5.3
385.12961	31.3
385.18729	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.43108	12.8
62.47838	13.3
64.92321	12.0
69.38525	64.6
70.35117	12.2
71.01349	32.1
89.02461	74.8
101.02396	27.2
113.02483	17.6
116.79927	13.8
119.03485	31.7
121.02914	27.5
179.05501	24.7
406.75262	14.6
422.48633	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	428.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62938	2.9
59.01381	23.1
65.69694	2.6
65.87289	2.0
66.89185	2.5
69.53812	10.4
71.01373	28.7
73.02942	9.0
79.39928	2.5
83.01428	3.2
85.02943	9.3
89.02432	12.4
93.03452	8.0
95.05024	2.7
97.67287	2.3
98.22592	4.5
101.02432	17.9
101.56790	2.1
108.02139	2.6
113.02443	17.5
119.03503	6.6
121.02956	100.0
136.01636	4.4
137.02438	18.1
138.06865	3.3
151.03964	4.0
151.07625	3.2
152.08452	8.4
153.09207	28.1
159.02986	2.8
161.04553	37.9
161.09721	9.9
179.03506	16.9
179.05565	3.1
179.10750	31.2
205.12334	21.0
206.12466	2.3
209.04630	6.7
223.13358	27.2
239.05545	21.4
246.80035	2.5
299.07709	13.0
385.18686	36.4
386.19095	4.2
428.19635	3.7
429.14215	3.0
435.70709	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	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09382	10.2
59.01379	92.1
69.43524	44.5
71.01385	77.2
72.55824	11.7
73.02953	41.8
84.81270	10.6
85.02958	25.4
87.00837	10.4
89.02454	60.4
95.05060	11.0
99.00963	11.4
101.02469	52.9
113.02469	35.4
119.03520	25.2
135.02768	38.1
161.04575	98.4
161.09715	39.5
179.01694	37.4
179.05695	15.4
179.10759	100.0
187.11299	15.9
205.12277	69.5
223.13403	47.2
233.11917	14.0
255.05153	16.3
256.05460	20.2
285.00412	28.1
301.99500	10.5
385.05200	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51800	0.9
58.75568	0.9
59.01378	11.2
61.98829	1.9
64.63979	0.8
70.58453	1.8
71.01380	13.9
72.99318	1.0
73.02921	1.6
75.00903	1.0
76.57042	0.8
84.95103	1.0
85.02961	1.3
87.00871	18.5
88.98800	1.7
93.03468	1.0
99.00899	1.2
101.02416	0.9
108.02173	3.5
109.02959	7.0
113.02455	1.5
115.00373	40.4
116.00719	1.2
124.01680	1.5
124.82802	0.8
127.00378	1.2
169.01442	2.7
175.02480	100.0
176.02840	2.5
191.05583	1.6
193.05029	3.6
233.04482	1.8
233.85699	0.9
243.10931	0.9
391.70306	1.2
429.10046	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	429.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98822	1.0
68.19897	0.7
71.01378	14.2
73.02988	1.6
77.19823	0.7
83.01426	1.0
85.02966	2.7
87.00874	0.8
89.02442	17.4
93.03455	13.5
95.01404	1.2
99.04494	0.9
101.02438	8.4
108.02203	2.2
108.76147	0.7
109.02950	60.9
110.03316	1.8
113.02448	6.5
119.03474	6.7
121.02982	3.0
121.10260	0.7
131.03517	1.2
133.02928	2.1
134.12816	0.6
135.04446	0.7
137.02438	35.7
138.02829	2.3
139.02936	0.9
143.03465	1.5
145.02936	1.2
146.03716	1.2
149.02477	2.3
151.07721	1.1
161.02451	1.4
161.04561	2.0
161.13405	1.9
163.04060	2.2
165.01956	1.0
175.07602	5.1
177.01961	6.1
179.05605	4.3
187.07643	7.1
187.11324	0.8
189.01950	6.8
193.01396	0.8
205.12305	7.3
206.96362	0.7
219.06696	3.3
231.06651	6.9
231.10281	1.6
233.07950	1.1
237.30612	0.7
249.11284	9.8
263.09229	9.5
264.09549	1.0
275.09167	3.6
276.09912	0.9
293.88181	0.7
297.11469	2.2
313.03687	1.3
315.05273	1.1
341.10254	12.5
385.12912	27.0
386.13361	3.1
391.10455	3.8
429.12265	9.3
429.22107	4.5
430.12177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.8
61.98827	2.0
69.19318	3.1
69.19727	1.3
71.01379	8.0
73.02956	1.3
75.11870	0.6
83.01387	0.9
83.87356	0.6
85.02949	7.5
89.02447	5.4
92.02681	6.0
93.03458	42.9
94.03828	1.1
95.01374	1.1
96.08669	0.6
96.96006	1.2
98.21858	1.2
100.07610	0.6
101.02443	4.3
107.05016	2.5
108.02159	2.2
113.02447	4.9
119.03517	2.0
121.02953	1.7
123.00891	0.9
123.04512	1.2
124.01676	0.8
125.02494	0.9
129.05577	2.6
133.02972	0.8
135.04504	2.7
136.01663	20.7
137.02444	100.0
138.02811	2.5
149.02467	1.5
151.04018	12.7
161.04578	0.8
169.01514	1.0
179.03496	80.7
180.03864	3.6
191.05620	1.5
191.99422	0.7
205.12283	0.8
209.04549	29.1
210.04930	1.5
233.04576	0.7
239.05600	81.0
240.05902	5.1
281.06604	1.2
299.07715	42.9
300.08078	2.9
429.13980	10.4
430.14441	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01555	1.1
55.01860	1.5
58.00577	2.7
59.01378	90.9
60.32942	1.5
60.81697	1.2
62.96679	1.4
69.37170	6.0
71.01376	37.7
81.07108	3.4
85.02944	9.6
85.33131	1.3
87.00852	2.1
89.02444	38.5
95.01357	2.5
98.22648	2.7
99.04522	7.1
101.02444	21.5
110.90781	1.3
111.04486	1.7
113.02435	15.8
119.03497	19.0
143.03491	2.6
144.41846	1.4
161.04561	3.8
161.13358	25.4
179.05577	5.6
187.11340	3.3
205.12329	50.7
231.10190	1.7
249.11304	100.0
250.11656	7.1
429.17578	61.2
430.17853	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17785	1.1
50.86335	1.0
52.76412	1.0
55.01863	1.2
59.01379	100.0
59.42245	1.0
65.49725	1.0
67.92580	1.1
68.12805	1.1
70.80693	2.0
71.01382	46.6
71.68073	1.2
73.02941	1.4
77.17253	1.1
81.07101	2.9
83.01379	2.5
85.02953	8.5
87.00840	1.9
89.02446	56.0
93.96127	1.1
95.01377	2.6
99.04523	9.0
101.02439	26.2
111.04530	1.4
113.02452	19.6
119.03503	28.3
131.03462	1.4
143.03508	3.1
149.04619	2.4
150.06949	1.2
160.98528	1.2
161.04568	2.5
161.13353	24.6
162.13675	1.8
177.93172	1.0
179.05629	10.3
187.11304	3.7
205.12328	54.3
206.12663	2.6
238.30107	1.0
249.11307	82.7
250.11659	4.9
300.87964	1.0
429.17648	24.3
430.17776	3.3
434.24219	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01377	100.0
59.89748	1.0
60.56371	1.0
62.48110	0.9
65.04694	1.2
69.15518	4.1
69.15921	2.8
71.01379	46.4
73.02922	1.1
81.07101	1.2
83.01389	2.1
85.02943	10.1
87.00888	2.3
89.02441	58.0
95.01396	2.8
99.04503	6.7
101.02440	23.4
108.77186	1.0
111.04536	1.3
113.02454	18.2
119.03497	23.3
131.03506	2.1
134.33304	1.0
143.03510	4.9
149.04543	3.1
149.06143	1.3
150.06917	1.8
161.04553	2.2
161.13339	17.7
179.05647	7.0
187.11223	2.1
205.12315	49.9
206.12759	2.6
235.89804	1.1
249.11302	70.9
250.11682	4.2
353.27521	1.3
354.37759	1.2
429.17581	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86897	0.7
58.00590	1.6
59.01378	100.0
60.01722	1.1
63.51196	0.9
69.41448	3.1
71.01380	34.0
73.02976	1.0
81.07096	1.0
83.01410	1.6
84.71046	1.2
85.02956	6.3
87.00854	1.4
89.02441	42.8
95.01398	2.6
97.02990	0.9
99.04520	4.9
101.02435	19.5
106.92324	0.9
109.02960	1.9
109.32690	0.8
111.04551	2.4
113.02445	15.1
119.03490	20.3
131.03513	1.8
143.03484	2.6
149.04526	1.8
161.04597	3.3
161.13350	14.6
162.13719	1.1
179.05588	9.4
187.11255	3.0
205.12328	51.9
206.12674	2.7
249.11302	71.8
250.11655	4.9
295.69894	1.0
369.19043	3.8
429.17645	21.4
430.17960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57656	0.1
73.10164	0.2
79.53402	0.1
84.93878	0.5
98.05370	0.1
98.21794	0.4
98.95474	0.2
99.00877	1.0
99.92577	4.4
100.93359	36.9
101.93383	1.7
112.45731	0.2
115.92074	100.0
116.92077	4.3
116.92861	6.7
117.92852	0.2
130.94411	0.3
132.92369	1.1
142.94423	0.6
154.94412	0.3
155.95189	0.3
172.95465	12.8
173.95515	0.6
194.83165	0.2
255.23228	0.9
270.74396	0.2
339.16467	0.2
355.15738	1.3
356.16547	0.4
371.15305	0.5
381.17245	2.1
382.17615	0.2
411.18427	0.6
429.19498	12.5
430.19669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40401	0.4
52.78329	0.4
53.07142	0.5
53.52876	0.4
53.54763	0.4
54.70866	0.4
59.01379	100.0
60.01723	0.9
65.28336	0.4
69.47217	2.2
71.01379	10.9
85.02979	1.6
87.00874	0.9
89.02441	15.8
90.02811	0.6
95.01404	0.7
99.93967	0.5
101.02425	4.5
110.16704	0.5
112.49488	0.5
113.02435	3.8
119.03503	6.3
125.88865	0.5
129.20210	0.5
131.03491	1.1
143.03551	1.2
149.04633	0.5
161.04607	1.5
179.05644	3.5
181.10242	0.5
205.12465	0.6
246.48775	0.4
249.11305	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	429.2128
Annotation	Dendroside F
Peak:m/z	Relative Intensity
53.97270	0.6
57.03473	0.6
59.01378	100.0
60.01702	1.3
61.98832	2.0
69.45119	2.7
70.93438	0.6
71.01379	12.2
71.61127	0.5
73.02924	0.9
78.00842	0.7
85.02502	0.6
85.02972	2.2
87.00874	0.9
89.02443	16.5
98.22565	0.8
101.02437	10.7
107.93255	0.6
108.53706	0.7
113.02436	4.5
119.03510	8.7
143.03522	1.2
161.04628	1.0
165.12820	1.3
177.36710	0.7
179.05615	6.0
207.13892	3.2
221.15517	0.7
223.16859	0.7
249.14996	0.9
254.98689	0.6
267.15994	2.6
287.91412	0.8
288.29227	0.6
299.78934	0.6
429.21042	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.70835	0.5
59.01378	100.0
60.01690	1.0
63.46348	0.4
69.26038	2.5
71.01379	15.3
73.02948	4.5
77.42055	0.5
83.01415	1.4
85.02950	6.8
89.02467	1.2
95.01419	1.4
99.00895	1.6
101.02444	8.4
103.75521	0.6
109.02990	0.6
113.02454	7.8
137.09705	0.7
137.53752	0.5
143.03535	0.6
157.07887	0.6
159.02994	2.7
161.04555	15.8
161.05823	1.0
192.11674	0.6
207.13925	4.7
228.33453	0.6
237.40086	0.5
244.73445	0.6
267.12622	0.6
276.84961	0.6
283.02744	0.6
365.78851	0.7
385.44693	0.6
429.21439	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.7
59.01378	100.0
60.01713	0.8
61.98834	1.1
71.01378	12.8
77.95839	0.6
81.07064	0.6
83.01371	0.7
85.02954	2.9
87.00883	0.7
89.02441	15.7
93.03451	7.2
95.01389	1.1
97.02960	0.6
97.65187	0.6
99.04549	1.7
101.02449	7.8
105.03475	1.2
108.02172	2.0
109.02952	51.5
110.03305	1.7
111.04527	1.0
113.02449	5.4
119.03501	6.7
121.02972	2.1
121.10212	0.7
133.03000	1.8
135.04538	1.1
137.02441	20.6
138.02806	1.2
143.03529	1.2
149.02478	1.7
149.04626	0.6
149.09746	1.3
151.07683	1.4
161.02518	1.2
161.04596	3.0
161.13387	4.1
163.04036	0.9
165.01938	0.9
175.07661	5.3
177.01939	4.3
179.05576	3.4
187.07674	5.4
187.11424	0.6
189.01907	5.6
205.01350	0.9
205.12312	10.7
209.85023	0.7
219.06624	3.4
219.10306	0.9
231.06596	4.7
231.10350	1.2
233.08347	0.8
249.11302	12.9
249.14124	0.7
249.15059	0.8
250.11554	1.1
263.09265	7.4
267.16095	1.1
275.09253	3.6
275.63852	0.6
285.04041	0.9
297.11441	1.7
313.03470	1.1
313.10886	0.8
341.10229	9.9
341.13910	0.8
385.12906	21.3
386.13504	1.6
391.10559	1.3
429.12323	7.9
429.17636	2.9
429.22046	1.7
430.12180	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30281	0.3
59.01377	100.0
60.01714	0.8
71.01380	5.5
72.93621	0.2
85.02961	0.7
87.00867	0.5
89.02444	8.3
92.40034	0.3
95.01431	0.4
98.22684	0.6
101.02438	2.2
113.02448	2.4
119.03512	2.6
140.09557	0.3
143.03532	0.7
149.04549	0.4
161.04622	0.6
165.72079	0.3
169.34158	0.3
179.05608	2.5
191.15977	0.3
206.02480	0.4
214.42715	0.4
231.95291	0.4
429.21442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02261	1.0
57.67459	1.0
59.01377	11.4
61.98828	81.2
67.01861	2.1
69.03445	1.2
69.16454	6.9
71.01379	4.2
71.05021	12.1
83.05051	1.0
85.02946	3.9
87.00881	6.4
87.04507	1.4
89.02397	1.3
90.91309	1.1
93.03458	27.0
95.01338	1.3
101.02447	2.0
108.02154	6.1
109.02962	5.6
111.04514	3.7
113.02464	1.3
117.05578	100.0
121.02917	1.2
123.00848	1.1
125.02424	3.4
125.62517	1.1
127.04064	1.3
130.38734	1.0
134.03746	9.4
149.06036	1.2
161.04565	1.5
168.00620	2.2
169.01434	3.0
173.04539	17.9
191.05608	86.8
192.05896	2.8
193.05029	6.3
367.10297	28.0
368.10611	2.6
422.96863	1.3
431.10541	1.3
431.16257	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	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14001	14.0
59.01364	43.9
69.23866	100.0
71.01367	32.1
73.68603	15.9
75.64241	14.4
84.24558	15.1
89.02446	31.1
98.22641	25.1
99.29720	15.9
101.02487	20.3
133.02940	23.1
161.04578	18.4
190.28908	15.6
212.01151	16.1
213.92455	16.1
319.09879	15.9
387.20004	26.1
396.93863	17.8
414.14725	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	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17928	14.2
59.01377	100.0
61.98822	32.5
70.78992	15.6
71.01387	95.0
73.02943	39.3
83.01382	13.2
85.02956	33.5
89.02453	28.6
101.02468	67.6
102.50021	12.6
113.02439	39.0
119.03515	13.5
125.02448	25.0
144.39029	15.2
146.93654	13.4
153.53671	13.8
161.04550	55.8
164.00780	12.9
223.09789	17.3
284.12173	35.1
387.20175	62.0
444.91837	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	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12878	0.2
59.35337	0.3
60.95158	0.2
63.02382	0.4
65.00327	0.5
66.42443	0.2
69.85809	0.5
73.78530	0.2
83.01366	0.4
91.01896	0.3
93.03442	1.4
107.01385	1.7
107.60954	0.2
109.02920	0.5
117.41731	0.2
125.02421	0.2
131.05016	0.4
132.02167	0.7
135.00896	1.4
136.93195	0.2
139.96724	0.2
143.05006	0.7
145.02878	0.3
151.00342	0.9
153.01944	0.4
154.04132	0.3
155.05058	0.3
157.06590	0.7
159.04498	1.3
163.00380	2.3
164.01071	0.4
165.01878	0.3
167.04990	0.4
169.06563	0.7
171.04520	0.6
173.06113	0.3
183.04483	1.1
185.06119	1.9
187.03975	2.1
189.05537	1.0
195.04465	0.4
196.05286	0.3
197.06038	1.0
199.04037	1.2
201.05530	0.5
211.03979	2.8
212.04802	0.4
213.05562	1.5
214.02785	0.3
215.03566	0.4
220.80025	0.2
227.03493	45.6
228.03885	2.7
229.05042	10.3
230.05305	0.3
231.40352	0.2
239.03407	1.5
240.04233	0.7
241.04955	1.2
243.02979	0.5
255.02974	67.3
256.03540	8.9
257.04535	5.9
258.05069	0.3
267.02924	1.0
283.02441	0.4
284.03259	62.6
285.04016	100.0
286.04373	6.9
431.09808	55.7
432.10208	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56164	1.2
59.01378	69.7
60.01682	1.2
61.98857	1.6
69.03452	1.3
69.09570	7.5
71.01375	11.4
73.02937	6.9
75.81252	1.1
81.03460	1.7
83.01364	1.6
85.02956	10.2
87.00867	2.1
89.02441	5.1
95.01376	3.6
98.22673	2.5
101.02454	9.2
103.04014	2.4
107.05023	3.8
108.02168	69.2
109.02957	100.0
110.03260	2.7
113.02451	2.6
117.05569	4.0
123.00875	3.1
125.02451	3.3
135.04532	18.6
137.09729	2.5
143.03517	2.2
145.02951	1.7
145.05020	2.1
147.04526	1.4
151.04004	2.2
161.04547	4.6
163.03969	2.6
163.06110	5.5
165.09155	3.2
169.01431	2.0
192.12241	1.0
193.05072	1.6
203.05588	8.2
205.07256	1.4
209.08177	2.3
253.07176	70.7
254.07451	3.4
271.08200	2.9
313.09409	5.8
351.39258	1.1
431.11447	2.2
443.93329	1.5
448.02182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00585	1.1
59.01376	100.0
61.98830	1.1
69.03458	2.0
69.69247	3.7
70.59647	0.9
71.01013	1.6
71.01381	26.1
72.99298	2.2
73.02943	40.8
73.85085	0.9
79.30595	1.1
81.03471	0.8
83.01364	2.1
83.05049	0.9
85.02943	12.1
87.00864	7.9
87.04498	3.5
89.01927	1.8
89.02446	24.2
97.02977	1.4
101.02440	55.1
102.02757	1.1
103.04010	25.6
108.02168	10.2
109.02953	13.6
110.56380	1.0
113.02449	2.5
115.03987	10.9
119.03497	12.1
123.24100	1.0
125.02413	4.7
131.03506	7.7
133.05045	1.0
143.03497	10.7
145.05031	7.3
163.06111	90.5
164.06415	3.1
165.09242	0.9
169.01398	1.4
205.07169	17.5
217.05447	1.3
235.93929	0.9
253.07199	11.3
265.09320	5.7
307.10263	0.9
325.11417	1.7
431.11313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92535	0.7
57.03445	0.8
59.01377	41.5
61.83849	0.6
61.98836	1.1
69.91133	0.8
69.91473	1.4
71.01376	15.8
73.02942	0.8
73.80096	0.7
83.01379	1.2
85.02953	3.9
87.00868	0.6
89.02446	16.7
95.01386	1.5
96.51586	0.6
97.40759	0.6
98.22024	0.9
99.04515	26.1
101.02438	8.3
106.08382	0.6
113.02438	8.3
119.03493	5.4
161.04529	0.7
179.05614	1.5
186.06786	0.8
189.12827	4.8
207.13895	27.0
208.14247	1.1
216.94656	0.7
227.03412	1.5
251.12868	100.0
252.13243	5.7
255.02983	2.7
284.03528	1.3
285.04034	3.5
316.94730	0.7
413.18188	0.7
431.09613	2.0
431.19138	37.8
432.19568	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01934	0.5
57.03499	0.6
58.00645	0.7
59.01114	3.9
59.01442	43.1
61.98898	6.0
69.30782	1.0
69.31194	1.5
71.01457	18.6
72.99367	0.9
73.03006	1.4
83.01457	1.2
85.03037	4.4
87.00949	0.9
87.04600	1.7
89.02441	16.5
95.01487	1.7
98.03827	0.8
98.21852	1.1
99.04519	27.5
101.02441	10.5
111.04594	1.2
113.02461	6.8
119.03508	6.4
121.06648	0.8
131.03528	0.6
143.03592	0.7
149.04633	0.5
151.00450	0.8
161.04640	1.0
179.05676	1.3
189.12843	5.3
207.13899	24.1
208.14287	1.4
227.03506	7.4
228.03912	0.8
229.05026	1.7
233.11841	1.4
237.86189	0.4
251.12881	100.0
252.13226	6.4
255.02975	9.9
256.03625	1.1
257.04660	1.0
257.70853	0.5
269.13702	0.5
269.17511	3.1
284.03262	8.1
285.04041	12.9
286.04294	0.8
431.10132	9.1
431.18863	26.3
432.09921	1.1
432.19016	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
61.72011	0.6
61.98840	0.7
78.95905	73.0
85.92589	0.6
90.01311	0.7
96.96958	6.8
150.98050	2.1
151.92470	0.7
152.99588	100.0
153.99930	1.4
160.84055	0.8
171.00624	2.6
269.28885	0.6
277.21808	1.0
409.27322	0.8
431.22000	11.3
432.22452	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	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01385	0.5
65.79082	0.4
75.64537	0.4
78.95901	51.1
96.96956	6.0
150.97993	1.8
152.61055	0.4
152.99585	100.0
153.99930	1.6
171.00659	4.0
228.89438	0.6
229.69127	0.4
277.21701	0.6
284.76059	0.4
314.43674	0.4
431.21997	8.5
431.31335	0.6
432.22092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.4
60.97521	0.9
71.12433	1.3
73.03024	0.8
86.96255	0.8
93.00154	15.2
104.16452	0.9
120.00690	1.0
147.08084	1.1
149.09714	2.2
157.77022	0.8
161.09682	1.0
162.10539	2.4
163.11279	32.9
164.11520	1.3
176.12074	2.3
187.11299	1.6
194.09418	1.4
208.11069	3.4
224.20564	0.8
285.03998	1.2
309.22195	2.0
337.21716	100.0
338.22263	18.7
339.23120	1.1
339.76941	0.9
370.21457	24.9
371.21753	3.1
431.22601	8.8
432.23001	1.0
432.90237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01875	1.4
55.38997	1.0
57.03437	1.9
58.41374	1.0
59.01381	43.7
59.56693	1.0
60.01699	1.3
61.98828	28.7
67.95190	1.1
71.01012	1.9
71.01382	30.1
73.02937	8.2
75.00897	1.1
83.01398	5.8
85.02948	12.5
87.00874	1.7
87.04521	3.6
89.02447	12.1
95.01382	2.9
99.00890	2.6
101.02441	18.2
109.02957	2.2
113.02456	11.6
119.03494	4.1
130.63466	1.0
130.82883	1.1
145.03001	1.1
159.02867	1.2
161.04538	2.7
227.03535	10.7
229.05060	2.2
248.44228	1.4
251.16479	2.5
255.02956	15.0
256.03714	2.9
257.04620	1.4
262.50165	1.1
284.03195	11.2
285.04016	21.1
337.39966	1.2
390.09766	1.7
431.10254	12.0
431.22812	100.0
432.10178	1.6
432.23044	9.7
439.80389	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	432.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98829	100.0
71.01378	1.6
83.01406	0.3
85.02968	0.6
87.00894	1.1
88.98837	0.5
89.02438	0.4
90.78669	0.2
94.98087	0.6
97.59142	0.3
101.02443	1.1
102.02725	0.3
111.90971	0.3
113.02486	0.4
115.00378	2.3
125.02471	0.9
161.04570	0.7
175.02481	9.4
176.02821	0.4
180.84296	0.3
181.84839	0.3
223.76414	0.2
223.83772	0.3
269.10345	0.4
270.10690	0.3
432.07620	0.4
432.16254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57510	0.5
59.01377	10.8
60.01720	1.2
61.01812	0.9
61.98829	100.0
69.55719	2.0
71.01385	3.6
87.00868	0.8
89.02451	4.1
90.02805	0.8
101.02477	2.1
110.31532	0.6
113.02467	1.6
119.03545	1.5
151.00374	0.9
161.04582	0.8
163.58611	0.6
178.99956	1.1
179.05627	2.3
194.15294	0.6
255.03056	1.6
269.04138	1.5
271.02451	3.7
300.02737	4.5
301.03531	5.3
349.34485	0.6
389.22076	1.5
432.10461	1.2
433.07626	3.0
433.24826	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	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.5
55.84240	0.4
57.51284	0.4
59.01378	7.3
60.01698	0.4
61.98828	100.0
62.92730	0.5
68.29307	0.4
69.46967	1.2
69.47370	1.0
71.01379	2.7
73.02968	0.4
89.02443	1.1
99.00877	0.7
101.02470	1.9
113.02453	1.1
119.05102	0.4
139.58356	0.4
143.81267	0.6
195.94548	0.4
235.85616	0.5
255.02979	1.1
256.03412	0.5
266.93719	0.5
271.02438	0.9
271.19110	2.7
286.04306	0.7
300.02850	1.7
301.03635	1.2
330.70856	0.5
415.23465	0.6
432.23309	1.7
433.24350	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	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99193	0.8
57.01819	0.7
59.01380	3.6
61.98829	100.0
64.20961	0.6
90.83018	0.7
101.02464	1.2
107.69063	0.7
132.23445	0.8
135.49675	0.6
148.10060	0.6
165.71655	0.6
256.03561	0.9
271.02371	0.9
300.02911	1.1
432.10391	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	432.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02164	2.6
59.01379	100.0
60.01707	6.6
61.01815	4.8
61.40360	2.8
61.98828	63.4
66.15823	3.1
69.18434	13.2
69.18844	7.2
71.01377	46.2
72.01714	3.2
73.02943	11.9
75.52529	2.7
83.01392	4.7
85.02956	15.8
86.03297	4.1
89.02430	25.9
90.02786	5.0
91.02858	5.0
98.21844	7.3
99.00855	5.6
101.02456	27.0
102.02801	5.2
108.02180	4.0
109.94656	2.9
111.13253	3.0
113.02444	23.3
114.02792	4.7
119.03497	10.0
125.02473	9.4
131.09286	3.1
133.60840	3.2
151.00412	6.1
161.04526	35.2
161.13336	3.6
162.13686	4.5
169.01399	20.5
178.99927	3.4
179.05615	6.2
205.12273	5.7
206.12659	7.7
249.11275	5.5
250.11659	11.7
251.11938	9.1
252.12173	10.9
255.02847	8.5
270.08490	4.2
271.02560	22.8
300.02759	29.5
301.03568	26.5
373.18579	3.9
389.21667	35.5
390.22256	6.1
432.18185	25.2
433.07309	20.2
433.20526	12.9
433.28781	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	432.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02164	2.6
59.01379	100.0
60.01707	6.6
61.01815	4.8
61.40360	2.8
61.98828	63.4
66.15823	3.1
69.18434	13.2
69.18844	7.2
71.01377	46.2
72.01714	3.2
73.02943	11.9
75.52529	2.7
83.01392	4.7
85.02956	15.8
86.03297	4.1
89.02430	25.9
90.02786	5.0
91.02858	5.0
98.21844	7.3
99.00855	5.6
101.02456	27.0
102.02801	5.2
108.02180	4.0
109.94656	2.9
111.13253	3.0
113.02444	23.3
114.02792	4.7
119.03497	10.0
125.02473	9.4
131.09286	3.1
133.60840	3.2
151.00412	6.1
161.04526	35.2
161.13336	3.6
162.13686	4.5
169.01399	20.5
178.99927	3.4
179.05615	6.2
205.12273	5.7
206.12659	7.7
249.11275	5.5
250.11659	11.7
251.11938	9.1
252.12173	10.9
255.02847	8.5
270.08490	4.2
271.02560	22.8
300.02759	29.5
301.03568	26.5
373.18579	3.9
389.21667	35.5
390.22256	6.1
432.18185	25.2
433.07309	20.2
433.20526	12.9
433.28781	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98659	0.3
59.01378	1.9
61.53432	0.3
63.02390	0.6
65.00317	1.4
69.37701	0.9
69.38113	0.6
69.99955	0.3
71.01389	0.8
73.02954	1.1
83.01408	1.0
85.02951	0.3
87.02316	0.3
89.02461	1.0
91.01902	0.6
93.03444	0.4
95.01408	0.2
97.06578	0.4
101.02463	1.0
107.01389	3.1
108.02161	1.8
109.02950	1.9
113.02482	0.5
117.03491	0.5
119.05052	0.4
120.02188	0.4
121.02951	2.3
123.00887	0.5
124.01651	2.1
124.24117	0.3
125.02457	4.0
127.43515	0.3
133.02922	0.3
135.00903	1.2
143.71704	0.3
145.02982	2.7
148.01689	1.6
149.02461	0.9
150.99152	0.6
151.00369	11.5
152.01007	0.3
159.04491	0.6
159.06627	0.5
161.02477	1.5
163.00360	3.0
163.04120	0.4
164.01172	1.1
165.01955	1.1
167.05009	0.4
169.01460	0.6
170.45149	0.4
178.99837	6.1
188.04707	0.3
190.99908	0.4
198.03329	0.6
199.04053	0.9
201.05675	0.3
203.03516	0.5
205.05017	0.3
211.04036	1.1
215.03575	0.7
216.04237	0.9
226.02724	2.5
227.03490	3.4
228.04221	0.4
229.04990	0.6
239.03561	0.6
243.02979	14.6
244.03485	1.0
245.04585	1.2
254.02251	2.9
255.02977	28.8
256.03345	1.9
271.02472	68.7
272.02911	5.9
273.03995	1.3
283.02481	1.5
293.43210	0.3
299.01956	1.0
300.02737	100.0
301.03476	57.0
302.03867	3.9
307.08185	0.5
350.73001	0.3
433.07675	60.1
433.19705	2.5
434.07977	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71509	0.3
54.05581	0.3
54.98848	0.3
59.01345	0.3
63.02396	1.4
65.00318	1.7
69.90569	0.4
69.90903	0.7
83.01394	1.2
91.01912	0.5
93.03442	0.5
97.33126	0.3
101.66598	0.3
107.01382	4.9
108.02163	2.2
109.02948	3.4
109.25771	0.3
119.01363	0.7
121.02966	4.0
125.02459	0.5
135.00887	1.4
139.04021	0.6
148.01648	1.9
149.02435	0.5
151.00365	17.7
152.00806	0.6
154.63779	0.3
159.04530	0.5
161.02441	0.5
163.00359	4.6
164.01125	1.3
169.01405	0.5
171.04651	0.3
174.03160	0.4
175.04111	0.5
178.99857	9.3
179.01457	0.5
180.00206	0.4
183.04478	0.5
185.06053	0.6
187.04002	0.8
190.99887	0.6
192.00603	0.6
193.01268	0.3
199.04002	1.2
201.01846	0.6
201.05586	1.0
203.03458	0.9
206.03099	0.3
211.04012	2.2
212.04514	0.6
215.03513	0.6
216.04233	0.5
226.02731	2.0
227.03493	4.4
228.03917	0.7
229.04942	1.5
230.02245	0.4
239.03474	1.0
243.02974	12.9
244.03513	1.3
245.04500	3.3
253.04965	0.4
254.02127	2.6
255.02968	33.3
256.03391	2.7
257.04599	0.4
266.02185	0.5
271.02460	64.8
272.02884	5.6
273.03958	2.1
283.02429	2.6
299.01895	1.6
300.02731	95.9
301.03482	100.0
302.03842	6.2
433.07709	60.6
434.08066	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	433.1138
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01896	0.4
59.01381	4.3
61.98830	2.7
63.02395	2.2
65.00315	5.9
69.23745	2.0
71.01372	1.6
71.02383	0.4
72.93553	0.3
73.02931	0.4
83.01367	4.2
85.02972	0.5
89.02448	1.3
93.03447	7.3
95.01424	0.4
98.22649	0.6
101.02458	1.1
107.00706	0.7
107.01391	10.7
108.02219	0.8
109.02921	0.8
111.13310	0.4
113.02437	0.8
119.05022	33.3
120.05360	1.4
121.02916	0.7
125.02423	1.1
128.27411	0.4
131.01363	0.4
131.52112	0.3
133.02957	0.5
135.04547	2.6
136.01590	0.4
145.02928	0.7
149.02428	0.4
151.00366	42.6
152.00705	1.7
161.02467	0.7
163.00371	0.7
164.01140	0.7
165.01900	1.4
165.05554	0.8
169.01401	0.9
172.56474	0.4
175.00298	1.8
176.98283	0.8
177.01932	5.1
178.99835	0.8
185.06064	0.5
187.03966	0.7
190.99808	0.4
193.01445	1.2
205.01302	0.4
209.15416	0.4
211.03987	1.2
227.07104	0.7
243.03017	1.2
251.11967	0.5
253.14516	0.7
255.02979	3.2
271.02759	5.3
271.06094	100.0
272.03488	0.7
272.06442	7.7
275.37079	0.4
295.05997	1.1
300.02725	7.8
300.99982	0.6
301.03479	8.3
313.03485	1.0
313.07294	1.4
320.52551	0.4
325.03906	0.4
343.04562	1.2
345.06036	0.5
391.23083	0.6
433.07425	7.5
433.20135	2.7
433.28635	0.5
434.07907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.9
69.65247	3.0
71.01375	10.3
83.01387	1.7
85.01476	5.9
85.02942	2.0
89.02427	2.0
98.99380	8.7
99.00890	2.5
101.00951	12.4
101.02438	2.5
102.98904	1.6
108.02168	1.0
113.00941	1.9
113.02436	1.7
117.00439	13.2
118.00500	0.9
123.03027	2.2
125.00973	5.0
125.02409	1.3
126.98875	1.1
141.00455	78.4
141.01665	7.2
142.00534	4.4
142.05125	1.3
143.02007	2.8
151.02522	3.2
153.00443	13.2
155.02031	5.7
161.04570	2.0
167.01985	6.2
168.99936	3.5
171.01497	8.1
183.01495	9.4
184.01714	1.0
185.03084	1.8
193.03520	0.9
195.01485	17.9
197.43932	1.0
201.02531	6.9
213.02623	1.4
243.03571	2.4
253.05562	1.8
261.04648	19.1
262.04739	1.4
271.04828	0.9
323.09875	2.8
331.08563	0.9
373.09888	100.0
374.10101	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76794	1.4
55.01860	1.9
57.03431	4.8
59.01377	42.6
69.03461	1.6
69.17049	5.6
69.70950	1.0
71.01379	44.0
72.99315	1.4
73.02949	8.1
74.99348	1.4
81.03425	1.5
83.01392	8.2
85.01463	5.4
85.02945	21.0
87.00889	4.5
89.02444	15.9
90.38279	1.0
90.57056	1.0
95.01414	2.6
97.02960	4.9
98.22679	1.7
98.99385	8.7
99.00871	7.3
101.00967	11.1
101.02441	28.4
102.98895	3.1
103.43648	0.9
108.02172	21.0
109.02962	15.4
111.00851	3.2
113.00952	1.6
113.02449	18.2
114.98824	1.2
117.00449	19.7
118.00468	1.6
119.03502	8.0
123.00909	2.2
123.03012	2.5
123.04516	1.2
124.01672	5.3
125.00158	1.1
125.01003	6.4
125.02438	26.8
126.98870	1.7
131.03552	2.9
139.02618	1.2
141.00455	62.1
141.01689	5.1
142.00603	3.5
143.02010	2.0
143.03517	6.6
144.99974	2.6
145.05014	1.8
151.02541	2.6
151.04060	2.2
153.00476	12.8
155.02052	8.0
159.02980	2.8
161.04556	23.3
163.04051	1.5
167.01991	6.2
167.03392	2.1
168.99928	3.5
169.01349	1.8
171.01505	8.2
179.03436	1.4
179.05582	3.7
183.01479	8.3
185.03075	1.6
185.57944	1.1
195.01476	18.0
196.01700	2.0
201.02574	5.2
203.05542	1.7
209.04488	1.6
211.06114	1.5
221.06680	10.9
227.65114	1.1
243.03476	3.6
245.06660	8.8
261.04651	20.6
262.04773	2.1
263.07690	10.5
271.02634	1.3
271.08234	8.4
275.02048	1.2
294.88281	0.9
299.49457	1.5
300.99860	4.6
302.00244	1.9
305.08878	1.6
323.09879	9.2
373.09875	100.0
374.10211	11.9
379.93878	1.1
433.13507	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	433.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66380	0.7
59.01381	12.5
60.01709	0.9
61.98829	49.9
62.21836	0.7
69.37357	1.9
69.37757	1.9
71.01366	4.0
72.99316	1.3
83.01345	0.7
85.02953	2.4
89.02431	2.6
89.29041	0.7
93.03448	0.9
99.00880	1.6
101.02445	2.0
107.01421	1.2
109.02930	0.9
113.02454	1.9
118.02996	1.0
119.03526	1.1
120.04520	0.9
122.06139	2.9
125.02425	1.4
138.43517	0.8
146.02405	1.0
150.05615	3.9
151.00349	2.1
152.07169	2.9
153.01976	1.0
161.02351	0.9
161.04613	0.9
191.31628	0.7
192.06900	0.9
196.06419	2.1
197.11771	0.9
205.07716	0.8
209.07184	1.1
211.08705	4.9
220.06351	1.8
221.07147	1.2
222.07932	0.9
223.08760	6.0
225.10316	1.3
227.03491	1.0
228.08939	0.8
234.07739	0.8
235.08759	7.2
236.05911	2.7
237.06657	1.2
237.10217	1.9
238.07446	0.7
239.07961	1.1
241.09784	1.7
244.23125	0.7
249.06657	3.2
250.07358	3.8
251.08261	14.9
252.08885	3.1
253.09753	3.4
254.10655	0.9
255.02997	3.1
263.08191	2.5
264.05249	1.6
265.06183	1.5
265.09824	5.8
266.06863	0.9
269.09122	1.4
271.02518	5.5
278.07056	4.5
279.07739	11.9
280.08313	1.6
281.09323	14.1
282.09918	2.7
283.10736	2.1
285.03897	1.0
286.04202	1.3
287.04498	1.5
291.07693	1.7
297.12363	2.1
300.02789	9.0
301.03503	9.8
307.07245	4.0
309.08795	46.6
310.05975	1.3
310.09131	5.2
311.10373	2.1
313.11981	1.0
325.08249	1.4
326.09091	4.9
327.09283	0.8
337.08258	14.4
339.09891	9.2
341.11392	10.3
342.11853	0.9
354.08252	1.0
358.11740	1.5
369.06149	1.5
369.10895	26.1
370.11075	1.9
373.13998	2.4
373.26041	1.3
386.10876	1.0
396.05051	0.7
401.13519	12.3
402.14105	1.2
433.07263	4.4
433.16119	100.0
433.24399	8.4
434.16379	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	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01382	0.3
62.96386	0.3
73.24787	0.2
78.95901	50.6
81.65550	0.2
89.50443	0.2
96.96957	6.2
97.21542	0.2
98.22683	0.6
130.41141	0.3
150.98013	1.8
152.99583	100.0
153.99921	1.4
171.00641	4.0
175.02423	0.2
279.23212	1.4
433.23566	10.1
434.23926	0.8
448.10446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15375	0.5
52.40066	0.5
60.87820	0.5
61.98800	0.5
78.95901	67.2
79.76428	0.6
96.96962	6.5
98.21856	1.2
150.98012	1.6
152.99582	100.0
153.99927	1.6
171.00659	2.9
192.62109	0.5
279.23297	2.0
433.23599	15.8
433.29245	0.6
434.23804	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	434.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96738	0.4
59.01364	2.2
60.96513	0.4
61.98825	100.0
62.80500	0.4
66.75839	0.5
70.46899	0.4
71.01393	1.0
71.78638	0.5
73.02924	0.5
76.67286	0.4
85.02993	0.6
88.82821	0.4
93.03432	0.6
95.62296	0.4
101.02453	1.0
108.35279	0.4
113.02450	0.5
121.99625	0.5
125.02473	1.0
136.07686	0.7
154.94676	0.4
165.09268	0.9
170.72719	0.4
180.06766	0.5
181.08731	0.7
186.12225	0.4
209.08156	5.1
209.09596	0.4
232.79027	0.5
251.07977	0.6
252.08643	0.9
271.02432	0.6
273.07813	0.5
280.08017	0.7
282.09595	0.9
301.03186	1.3
309.08621	0.9
310.09082	2.7
338.08734	0.6
340.10474	0.5
342.11926	0.8
370.11209	2.3
371.13434	1.6
434.07983	0.9
434.10745	0.7
434.16492	7.3
434.24741	1.4
435.12759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37672	0.2
59.01370	1.8
59.36399	0.2
61.76785	0.2
61.98817	0.4
62.83996	0.2
71.01385	0.7
71.44949	0.2
78.95902	0.8
79.95735	1.6
83.05011	0.2
85.02936	0.4
87.00867	0.3
89.02454	0.4
93.03468	0.2
96.96009	100.0
97.02946	0.3
99.00872	0.6
101.02454	0.5
109.02991	0.3
113.02473	0.3
115.00362	0.5
121.02972	0.5
123.04538	0.6
124.01639	0.3
125.02407	0.2
133.02954	0.4
135.04535	0.3
139.00334	0.7
145.02928	0.3
149.06111	0.3
151.34523	0.2
157.01437	0.3
161.02426	1.0
165.01967	0.4
167.03450	0.2
169.01389	0.2
173.04552	0.2
175.02448	0.5
177.01913	0.8
181.56078	0.2
191.05606	1.2
209.73816	0.2
219.01335	0.3
229.08704	0.4
233.04581	0.5
245.49268	0.2
271.99603	0.6
273.00186	0.2
273.05029	0.3
273.07556	1.0
277.03470	1.0
315.01486	0.4
319.04529	1.9
337.05823	0.4
373.00143	0.3
435.06339	0.5
435.12912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
59.01378	19.2
61.98801	1.7
64.57326	1.1
69.18741	4.8
69.19157	1.6
71.01386	14.8
73.02944	11.8
75.00883	1.1
75.78193	1.1
81.03453	2.1
83.01383	2.5
85.02946	8.7
89.02449	5.2
92.02678	2.2
92.41643	1.1
93.03455	15.2
95.01373	2.5
97.02901	1.6
99.00842	1.5
101.02450	9.3
108.02177	62.6
109.02962	49.1
110.03271	4.2
113.02436	4.8
114.35702	1.0
119.03523	2.7
121.02985	1.6
128.03526	2.3
133.02951	12.9
134.03233	5.9
135.03458	3.5
135.04533	5.0
136.04814	2.9
137.02438	28.5
143.04582	1.4
151.03940	2.0
152.01152	79.9
153.01949	28.0
161.02441	34.6
161.04491	2.6
162.02783	22.0
163.02917	12.5
163.04022	1.6
179.03424	1.9
181.03941	1.9
186.12531	1.3
191.03679	1.2
220.71967	1.0
221.67767	1.1
222.04919	1.1
227.07144	2.2
255.16043	1.9
272.08905	3.0
281.06711	7.2
304.06183	1.2
315.07303	10.5
325.08154	1.9
391.10022	1.3
435.08786	100.0
435.21857	21.5
436.09253	11.2
436.22571	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	435.1291
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03446	1.4
59.01361	0.9
61.98817	0.3
65.00319	1.1
69.32800	1.4
71.01389	0.2
71.11687	0.2
81.03453	11.5
83.01382	3.8
83.01830	0.4
93.03454	7.8
95.01334	0.6
95.05033	0.7
97.03027	0.3
107.01367	1.3
107.76453	0.3
111.04538	0.3
112.12437	0.2
119.05025	9.8
121.02974	0.5
123.04524	31.8
124.01643	0.3
124.04840	0.9
125.02441	14.6
126.02747	0.3
135.04521	1.0
137.02449	0.4
145.06604	0.3
149.02435	2.1
151.00345	2.7
165.05632	0.3
166.02690	0.4
167.03491	80.2
168.03838	2.7
169.06619	0.6
171.04463	0.4
179.03494	8.7
187.07590	0.4
189.05540	1.6
190.02744	0.3
191.03482	1.1
211.07663	0.5
229.08711	1.0
236.27344	0.2
247.14993	0.2
255.06583	0.7
273.07669	100.0
274.08002	6.9
286.04083	0.4
287.04520	0.3
288.04596	0.6
289.05127	0.4
297.07614	0.5
315.08743	0.3
325.07401	0.3
435.11951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.26
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
54.10968	0.4
55.01871	1.3
57.03432	1.3
59.01380	13.7
61.98822	3.1
69.26709	2.6
71.01380	10.7
73.02937	4.4
81.03455	0.6
83.01382	3.8
85.02946	6.1
86.00089	0.6
87.00881	0.9
89.02429	2.1
93.03484	0.8
94.36216	0.5
95.01392	1.0
99.00884	1.7
99.08134	1.2
101.02436	10.1
107.66388	0.4
108.02187	1.0
109.02951	2.8
111.00852	0.6
111.81373	0.5
113.02470	3.7
123.04514	1.4
125.02431	1.2
127.11290	1.9
144.95424	0.5
145.02963	1.5
151.03979	0.6
161.04515	2.3
171.10252	0.5
177.01912	2.5
189.01894	5.0
190.02591	0.9
191.03505	0.9
197.41669	0.4
203.03494	0.7
216.00630	0.6
217.01395	3.3
219.02968	1.7
227.20097	0.5
231.03000	0.7
255.19675	1.8
273.20706	14.8
274.21082	1.4
283.23984	0.4
289.07269	0.9
289.16565	8.9
309.00446	0.5
340.71671	0.4
341.06662	10.4
342.06967	1.2
355.04483	0.5
417.25076	3.5
435.11081	4.0
435.26028	100.0
436.26404	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	436.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63066	2.5
55.12830	2.3
57.90862	2.4
59.01075	4.8
59.01374	95.8
60.01719	2.3
61.98810	5.0
71.01386	40.6
73.02936	25.4
83.01373	5.3
85.02948	12.5
87.00887	4.7
89.02450	47.4
95.01372	4.0
98.21970	3.4
101.02440	68.3
103.03994	22.6
107.01348	3.5
109.02969	7.0
113.02441	5.7
115.04041	12.9
119.03487	19.6
123.00863	4.7
124.01666	10.6
125.02422	8.5
131.03467	9.8
139.03990	4.8
143.03516	15.7
145.05058	9.4
159.00078	2.5
161.04546	2.6
163.06114	100.0
165.71751	2.5
166.99829	4.4
168.00601	7.6
169.01445	3.0
178.14523	3.3
179.05617	7.9
183.02962	19.6
186.94156	3.4
201.66115	3.0
205.07161	33.1
217.95052	2.6
231.06531	4.2
247.11768	3.8
258.31320	2.8
265.09259	10.1
274.01117	14.7
275.01874	2.9
275.05518	3.4
316.53531	2.7
333.36487	3.0
393.17667	79.9
394.18027	5.4
437.11819	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88688	1.3
53.74049	1.5
69.62451	3.9
71.01380	5.2
83.01379	2.4
93.40207	1.3
95.01344	2.0
101.02416	3.9
107.01379	12.4
108.02185	18.3
109.02946	33.9
109.23078	1.9
111.00884	3.2
113.02425	2.8
123.00895	11.0
124.01657	40.5
125.02451	1.9
136.98792	1.6
137.02431	2.5
138.03229	5.5
139.00354	5.7
139.04021	30.7
140.01135	3.0
151.00240	1.8
165.01932	1.7
166.99896	3.3
168.00636	38.4
169.01427	8.7
182.02260	2.2
183.02979	100.0
184.03253	4.0
211.02444	2.6
225.04114	3.3
231.26749	1.6
297.06168	5.0
312.04865	4.9
313.05756	2.9
327.07196	28.5
328.07327	2.0
422.08487	6.6
437.10861	94.5
438.11230	13.7
456.21100	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.5
61.75184	1.2
67.01871	1.4
71.01385	7.1
71.44930	1.3
79.01923	1.4
82.95401	6.4
83.01373	1.9
85.02933	3.2
89.02450	3.0
95.01369	3.4
95.05027	2.5
96.96007	9.5
97.02933	1.6
98.95586	10.9
98.96170	1.2
98.96467	1.4
101.02431	4.8
107.01385	9.2
108.02176	1.7
109.02989	6.4
111.00863	2.0
113.02431	3.1
115.76978	1.1
121.03010	1.8
123.00887	18.0
123.04520	33.5
124.01660	9.3
125.02443	42.3
135.04512	1.8
137.02402	1.8
139.00360	4.6
139.04095	1.5
140.01091	2.2
141.02022	2.7
149.02383	1.4
151.00354	10.5
159.04515	1.3
161.02489	1.6
161.04591	1.6
163.03996	1.4
165.01884	1.4
168.00615	4.8
169.01414	58.9
170.01758	2.1
173.02417	1.6
174.03197	1.8
175.03929	2.1
179.05621	1.6
183.02962	5.4
185.02538	1.9
187.04024	2.1
188.04713	1.5
189.01898	4.9
190.02699	14.9
191.05553	6.5
200.01080	2.3
201.01930	3.5
202.02695	5.0
203.03412	2.2
203.10724	2.1
211.02448	1.6
217.01424	1.3
218.02155	16.6
221.11780	5.4
223.77979	1.4
228.00554	3.3
229.01317	8.5
231.02718	2.2
231.06670	2.8
245.00903	3.9
246.01625	3.0
250.33052	1.3
253.03427	1.7
256.00140	1.8
257.00833	13.9
257.06958	2.0
258.01584	2.1
273.00473	2.3
274.01172	100.0
275.01926	52.6
275.05481	5.4
276.02298	3.1
313.05588	19.1
314.06012	2.1
353.09055	1.4
401.10391	2.0
401.18219	2.0
419.06479	2.2
437.06729	69.5
437.10941	88.6
438.07309	8.0
438.12616	6.0
438.16455	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	437.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85071	0.3
59.01081	0.7
59.01374	14.1
63.75197	0.5
69.25484	2.3
71.01380	4.9
73.44138	0.4
83.01396	0.4
85.02942	1.7
88.01386	0.4
89.02448	3.2
95.01369	0.7
101.02434	3.1
113.02448	1.9
117.03462	25.7
118.04253	1.8
119.05025	38.3
120.05358	1.1
121.02957	1.3
128.61227	0.4
132.05835	1.9
132.48318	0.4
133.06593	8.1
134.06943	0.5
145.02948	100.0
146.03279	3.2
147.04462	0.7
149.60638	0.5
159.04514	0.9
161.06076	25.2
162.03198	0.6
162.06450	0.7
163.04004	45.3
164.04350	1.4
177.05585	5.9
187.04005	3.2
205.05051	30.7
206.05414	1.3
217.04945	0.6
235.06096	30.2
236.06523	1.7
252.30174	0.4
265.07153	75.8
266.07510	3.3
307.08218	0.8
325.09222	5.3
326.09204	0.6
437.14642	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	437.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	0.8
59.01374	13.7
66.17070	0.5
69.26453	1.3
69.26867	2.3
71.01382	4.7
85.02968	1.1
89.02432	2.5
93.03456	0.8
93.40752	0.6
98.21894	1.3
101.02441	2.8
108.98075	0.5
113.02435	1.7
117.03468	29.4
118.04319	1.1
119.05022	42.6
120.05329	0.8
121.02943	0.9
123.04563	0.8
125.02370	0.6
132.05797	1.8
133.06593	9.7
145.02946	100.0
146.03310	4.4
159.04532	0.9
161.06085	25.9
163.04004	45.7
164.04352	1.6
168.05113	0.6
177.05566	7.4
187.04022	3.0
205.05040	33.2
206.05441	2.1
217.05106	0.9
225.45871	0.5
235.06099	36.8
236.06422	1.7
265.07150	76.3
266.07468	4.9
307.08157	0.7
325.09311	5.8
437.14514	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	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60696	2.1
59.01112	2.4
59.01355	11.7
59.92173	2.4
71.01382	6.8
77.92764	2.0
85.69525	2.0
89.02479	2.8
93.03468	3.5
98.22636	7.0
106.06707	2.3
107.01385	6.6
108.02184	8.5
109.02991	4.1
112.28349	2.3
123.00904	6.1
123.04372	2.3
124.01656	31.3
124.27980	2.2
125.02457	27.6
127.00422	3.3
135.00888	1.9
136.98741	2.3
137.02449	4.7
139.04010	15.6
152.01335	2.1
168.00613	13.9
169.01427	36.7
183.02950	4.9
211.02467	67.5
211.04515	3.3
212.02802	4.3
222.33705	2.5
232.00700	2.4
256.83618	2.3
268.58359	2.5
271.04587	100.0
272.04956	4.3
275.05573	8.6
281.06689	4.2
331.06848	12.0
391.10263	8.2
436.97879	6.4
437.10809	55.2
437.15900	3.7
437.23526	6.8
438.11185	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	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14260	2.7
57.00944	2.1
59.01377	20.9
61.98833	3.6
64.96243	2.6
67.01910	3.3
68.57541	2.3
69.36369	6.0
69.36781	6.9
71.01374	11.9
73.02964	6.1
74.06428	2.0
75.00874	3.2
79.01901	2.7
82.95435	10.0
83.01390	3.3
85.02967	7.2
88.80799	2.4
89.02456	9.5
97.03000	3.1
97.13332	2.5
98.22605	5.0
98.57777	2.2
99.00908	3.5
101.02472	9.0
103.04041	9.0
107.01385	23.0
108.02162	12.8
109.02938	30.5
111.00883	2.9
113.02488	9.5
119.03500	3.9
121.02954	4.0
123.00888	20.7
123.04558	2.8
124.01656	25.9
125.02415	12.1
137.02419	2.8
139.00432	8.6
139.04013	33.5
140.01140	6.1
145.03029	2.7
145.05162	3.0
147.00952	2.5
150.00136	2.8
161.02451	2.9
163.04013	2.6
165.02013	3.6
166.99861	7.2
168.00600	27.1
169.01442	15.5
179.05653	6.0
183.02983	75.6
191.05620	13.6
199.48146	2.7
221.11899	6.9
231.06621	4.2
257.00934	4.9
274.01242	10.7
275.01959	6.0
275.05524	5.2
300.99915	4.3
312.04819	4.3
313.05539	3.1
327.07269	18.3
359.17273	3.4
384.52261	2.5
419.06363	2.8
422.08524	3.9
436.97940	5.4
437.11044	100.0
437.16116	19.0
438.11334	7.8
455.73508	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	437.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19350	6.2
59.01381	76.1
61.98820	20.8
64.14291	5.6
71.01388	38.5
73.02928	14.1
76.61894	5.7
82.95438	8.5
83.01395	8.7
85.02942	21.7
87.00835	5.6
89.02439	13.1
101.02459	22.5
107.01390	16.8
108.02180	20.9
109.02956	61.7
113.02483	8.5
121.02964	6.0
123.00887	22.5
124.01653	16.5
125.02451	23.3
135.00871	6.3
139.03987	8.2
145.02907	7.2
151.00443	7.4
153.02043	7.4
161.04549	18.8
165.01999	6.1
168.00662	20.4
169.01410	24.9
177.02036	11.0
183.02945	40.4
189.01888	6.4
201.01846	5.7
217.01349	5.6
227.03426	7.5
229.01514	6.5
237.07596	8.1
245.01038	7.1
250.26256	5.8
255.02946	15.8
257.00836	10.3
257.17584	6.6
275.01968	17.9
285.00452	7.3
300.99921	73.7
302.00275	7.8
327.01624	39.4
327.07303	17.8
328.02206	16.5
362.04547	17.9
364.99432	19.2
377.18100	13.7
428.03659	10.3
436.97885	24.2
437.04562	100.0
437.10809	86.4
437.16150	18.1
437.23483	34.8
437.54510	26.3
438.05026	14.4
438.11279	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	437.1815
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
55.01870	1.0
57.03453	5.7
59.01377	4.0
59.63031	0.4
69.03457	8.7
69.31567	0.7
69.31973	1.6
71.01379	21.9
71.05018	1.8
72.43794	0.4
73.02943	6.7
75.00880	0.4
81.03461	1.6
83.01382	3.1
85.02951	10.5
89.02462	1.0
93.03418	0.6
95.01381	3.6
97.02959	1.0
99.00869	2.2
101.01784	0.9
101.02441	15.7
108.02174	30.4
109.02953	100.0
110.03291	2.3
111.08147	0.9
113.02446	11.6
113.06092	0.7
119.53387	0.4
123.00878	1.3
123.08148	1.0
125.02454	0.9
135.04509	0.6
135.08150	0.5
139.11288	25.6
140.11612	1.3
143.03474	1.9
151.04002	1.5
159.02957	2.7
161.04555	29.3
162.04886	1.0
165.09206	0.8
183.10257	87.1
184.10600	3.3
193.05037	1.0
210.00688	0.5
226.31261	0.4
234.63649	0.4
253.07112	0.8
265.71307	0.4
271.08228	3.9
437.18222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24342	0.1
55.01878	4.7
57.03447	4.1
58.00587	0.8
59.01376	42.5
59.10364	0.2
60.01706	0.4
67.01882	0.2
67.90293	0.1
68.99818	0.3
69.03459	1.3
69.12507	1.0
71.01379	41.4
72.01714	0.6
72.99299	1.0
73.02943	25.1
73.79873	0.2
74.03284	0.2
75.00874	1.1
81.03446	0.6
83.01384	18.7
84.01720	0.4
84.02165	0.2
85.02946	27.2
86.00098	2.1
86.03274	0.5
87.00869	2.2
87.04522	0.5
89.02439	5.3
95.01391	2.9
97.02939	2.2
99.00880	7.0
99.04515	0.4
101.02440	55.9
102.02763	0.9
103.04017	2.3
107.31684	0.2
111.00874	1.4
113.02445	17.7
114.02795	0.4
114.37770	0.2
115.04005	0.4
119.03503	1.6
125.02449	2.5
127.04040	0.4
127.11285	0.9
129.01917	1.1
129.12868	0.6
131.03490	0.4
141.01930	0.5
143.03494	2.2
145.05064	1.2
147.13977	0.2
159.02991	3.5
161.04552	18.5
162.04858	0.3
163.06088	1.4
182.49051	0.2
199.13376	0.7
205.03438	0.2
229.07166	1.4
247.08264	1.1
291.18112	100.0
292.18466	6.6
307.10477	0.2
319.15125	0.2
325.20557	0.2
335.16940	0.4
437.23871	32.9
438.24216	3.2
453.79492	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	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66069	0.8
55.01864	1.1
56.70620	0.6
57.03436	2.0
59.01379	20.2
61.98812	2.4
71.01379	12.7
71.05018	1.3
72.99306	0.9
73.02942	4.4
75.00810	0.9
83.01403	4.2
85.02957	6.6
86.00103	1.0
87.00887	1.6
89.02437	3.0
95.01376	1.1
95.93663	0.8
97.02998	0.8
99.00883	1.3
101.02433	10.3
107.01376	2.3
108.02174	1.6
109.02950	4.4
110.03178	0.7
111.00880	1.5
113.02440	4.7
113.88259	0.7
119.03497	1.0
119.64931	0.7
123.00880	1.6
124.01644	2.7
125.02451	3.5
127.00376	1.6
137.02460	1.2
139.03969	2.2
147.04495	0.8
151.06154	0.6
157.12331	2.9
159.02985	0.7
161.02452	1.4
161.04550	0.7
168.00647	1.9
169.01401	2.4
181.12802	0.7
183.03008	5.2
186.41426	0.7
192.00507	0.9
211.02498	0.8
229.18030	1.3
257.17639	3.5
271.04694	1.4
275.18591	5.2
286.87708	0.8
300.99829	2.5
305.04590	0.8
327.07233	1.5
364.99423	2.4
377.21448	0.8
401.21936	1.1
419.22842	10.6
420.22995	0.9
435.22180	0.9
436.98257	3.5
437.11252	9.7
437.23892	100.0
438.11142	1.1
438.24255	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
57.03436	1.2
57.42145	0.7
59.01381	17.0
61.98805	2.5
69.03464	0.8
71.01383	11.4
71.05007	1.0
73.02951	3.9
74.99105	0.9
83.01398	4.5
85.02948	5.7
85.41053	0.7
87.00869	1.7
87.04530	1.0
89.02457	3.3
95.01388	2.5
97.02937	0.8
99.00888	1.4
99.87708	0.6
101.02451	8.7
107.01384	0.9
108.02171	0.9
109.02981	3.1
111.00874	1.5
113.02451	4.5
119.03515	1.2
123.00868	1.4
124.01652	2.5
125.02451	2.7
127.00373	1.1
127.11316	0.8
137.02328	1.0
139.03996	2.0
143.04620	0.7
148.66808	0.6
151.04053	0.7
151.60344	0.7
157.12317	4.5
161.02348	0.8
161.04565	0.8
168.00647	2.1
169.01463	3.4
183.03006	3.7
192.00661	0.8
229.18248	0.7
253.04662	1.3
257.17572	2.4
261.61530	0.8
269.65460	0.6
271.04620	0.9
275.02069	0.8
275.05295	0.8
275.18646	5.3
275.21176	0.9
300.99936	1.7
305.04391	0.9
321.00522	1.1
327.07117	1.9
364.99399	2.8
419.22821	10.4
420.23450	0.9
436.97891	2.9
437.10907	8.7
437.23889	100.0
438.24286	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53076	1.4
54.30605	1.4
59.01377	18.0
71.01386	17.2
73.02948	15.9
74.60466	1.4
83.01393	6.0
85.02941	12.0
94.64124	1.3
99.00877	3.0
101.02440	30.2
102.57791	1.2
105.82219	1.4
113.02457	11.8
125.02447	1.6
143.03485	1.5
149.35014	1.7
159.02957	2.5
161.04562	9.6
173.74477	1.6
223.15236	1.5
249.13417	59.5
250.13771	2.8
395.19196	100.0
396.19543	6.5
460.59164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.3
61.98828	4.7
66.41011	0.5
68.50720	0.5
71.01401	1.8
83.05046	1.3
85.02979	0.9
86.71673	0.5
96.96013	4.4
101.02482	0.9
108.02171	4.1
109.02995	3.4
110.03319	0.9
113.02483	0.8
125.02445	1.1
161.04547	2.4
161.13286	0.6
163.04849	0.5
183.10255	0.6
185.11821	3.0
187.00420	0.5
200.01144	0.8
214.99930	1.6
216.00668	1.1
226.99638	0.8
241.98599	0.7
242.99338	8.6
243.99924	0.8
269.98068	2.3
270.98825	75.0
271.99179	4.2
285.00311	1.1
297.97507	2.8
298.98322	75.9
299.99075	62.6
300.99493	4.9
312.99875	13.8
314.00668	100.0
315.01425	70.4
315.04291	0.7
316.01807	4.3
336.99905	0.9
378.06119	0.6
390.86038	0.6
420.98141	0.9
421.32324	0.8
421.37851	0.6
438.29672	1.5
438.97272	1.1
439.02936	21.6
439.33051	1.0
440.03168	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	439.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32004	0.6
59.01379	19.6
62.79643	0.7
63.14102	0.6
67.36562	0.5
71.01383	13.3
71.43481	0.7
72.99312	1.3
73.32501	0.6
73.32949	0.6
78.95902	43.5
79.95733	2.0
83.01383	0.8
85.02949	2.3
87.00873	2.0
89.02443	14.8
95.01401	1.1
96.96012	93.1
96.96964	100.0
97.95906	0.8
101.02445	6.1
107.01421	0.8
113.02432	6.0
115.00395	0.9
119.03506	5.0
123.00897	1.9
124.01666	4.6
125.02444	12.6
131.03542	0.8
133.01447	1.6
137.02519	0.7
143.03505	1.3
147.06622	0.8
161.04558	2.0
163.03792	0.6
165.01871	0.6
168.00635	1.7
169.01411	8.5
179.05621	7.0
189.01959	0.7
191.03613	0.6
191.05620	2.2
211.02525	1.3
216.66838	0.6
237.00465	0.6
271.04538	2.1
275.01834	0.8
307.61188	0.6
313.05505	1.4
341.10855	28.7
342.11188	1.4
439.08798	17.6
440.09210	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	439.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
67.01894	0.4
69.03458	2.1
71.01389	1.7
77.55521	0.4
78.01096	0.5
79.01891	1.5
81.03458	1.0
83.01388	0.7
85.02950	0.5
95.01387	1.6
97.02946	2.5
101.02441	0.8
105.40137	0.4
107.01401	5.7
111.00880	0.8
113.02461	0.7
119.98083	0.5
123.00888	10.0
123.01738	0.7
124.01660	33.7
125.02449	59.9
126.02767	2.0
136.98813	0.6
137.02434	1.2
139.00391	1.3
140.01172	1.2
141.01889	1.1
149.02448	0.7
151.00331	4.2
151.04010	1.1
167.03534	2.2
168.00652	5.1
169.01422	39.8
170.01762	1.2
179.03514	1.2
197.04636	0.4
211.02448	6.9
237.07088	0.4
241.03458	1.3
246.77534	0.4
253.03502	0.7
263.85056	0.4
263.92194	0.4
271.04584	11.1
271.07385	0.7
272.05035	0.6
297.06140	2.0
300.99979	0.5
313.05649	8.5
331.06665	1.0
439.08789	100.0
440.09109	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	439.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85108	0.3
55.01878	0.6
59.01376	3.4
67.01889	3.1
69.03452	0.7
71.01379	2.7
73.02943	1.2
74.21436	0.3
79.01877	0.7
81.03426	0.4
83.01379	1.6
85.02953	1.1
89.02438	0.5
94.23744	0.3
95.01393	3.0
96.96002	0.6
97.02941	1.0
99.00912	0.6
101.02434	2.1
106.11016	0.4
107.01363	0.5
108.02209	0.5
109.02987	2.1
111.00878	21.2
112.01250	0.5
113.02426	1.5
119.05052	0.4
121.25764	0.3
123.00885	8.8
124.01646	1.2
125.02449	11.8
137.06100	0.4
139.00374	35.0
140.00732	0.8
141.01942	1.0
149.02438	0.3
150.03227	0.8
161.02431	0.5
161.04570	1.4
165.05582	1.1
166.99855	100.0
168.00162	3.3
169.01442	4.3
180.04361	0.6
181.04971	0.7
185.00906	11.6
195.06613	1.2
233.10287	2.1
236.60677	0.4
245.52457	0.4
247.02554	0.4
271.04816	0.4
272.92044	0.3
273.00668	0.4
277.03510	1.0
277.07291	0.4
287.07550	0.5
300.99838	0.7
313.05728	1.6
362.53720	0.4
377.03357	0.7
379.16016	4.0
421.07571	0.9
439.08780	12.3
439.18069	0.8
440.09201	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	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73812	1.4
56.03189	1.5
57.03434	1.6
58.00593	2.3
59.01374	94.3
64.39654	1.8
68.45193	1.4
69.17412	1.6
71.01377	41.5
72.99312	2.2
73.02945	31.8
83.01379	5.9
85.02940	13.9
87.00871	5.9
87.04518	3.8
88.35156	1.4
89.02439	46.9
89.72565	1.3
96.96009	2.4
97.03008	1.7
101.02438	67.7
103.04007	19.5
109.02920	2.5
113.02454	9.6
115.04001	9.8
119.03493	22.9
123.00858	3.8
124.01678	2.4
125.02463	17.2
127.04005	1.8
131.03520	8.3
132.03882	1.8
143.03502	13.0
145.05052	7.1
161.02350	2.4
161.04509	2.4
163.06113	100.0
164.06400	2.3
166.02676	2.0
169.01424	11.5
179.05641	12.2
184.03239	1.8
190.02715	2.4
191.05637	1.4
192.00627	18.9
193.01370	10.0
194.02174	6.1
202.99762	2.7
205.01364	1.9
205.07141	32.9
206.02094	2.2
207.02980	8.1
222.01654	1.7
227.28543	1.8
234.01756	8.5
247.11746	5.4
249.04021	3.8
265.09232	13.0
276.01645	2.9
299.98895	3.7
300.99808	7.2
309.06204	2.3
312.04886	4.4
327.07178	16.3
336.99728	4.3
364.99353	2.4
370.17874	2.2
371.00458	1.6
393.17661	91.1
394.17969	6.9
395.09732	3.1
408.69693	2.0
420.98172	6.3
439.07700	2.5
439.17032	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	441.0827
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
57.03452	2.2
59.01373	0.9
61.89008	0.3
65.98150	0.3
67.01882	0.4
69.03458	1.4
69.29654	1.7
79.01888	0.8
81.03458	2.7
83.01400	1.3
89.02436	0.4
91.61775	0.3
95.01414	0.6
95.05037	0.9
97.02943	3.3
98.22619	0.5
107.01396	2.5
108.02170	0.4
109.02960	8.9
110.03293	0.3
111.00880	0.7
121.02968	1.3
122.03749	0.4
122.54939	0.3
123.00893	1.3
123.04520	4.5
124.01659	5.3
125.02447	64.9
126.02768	1.7
129.81453	0.3
132.54614	0.4
135.04549	0.9
137.02440	7.1
139.00388	0.5
139.04008	1.0
140.01169	0.9
145.02910	1.7
146.03705	0.8
149.02438	1.9
150.03215	0.9
151.04008	5.9
159.04486	2.2
160.05240	0.6
161.02469	0.5
161.06104	2.1
162.03241	0.6
163.04004	0.5
164.01140	1.1
165.01915	2.4
166.99860	1.7
167.03494	0.9
168.00630	2.0
169.01425	100.0
170.01755	3.3
173.06200	0.3
175.04004	0.9
175.07664	0.7
177.05594	0.5
179.03461	2.4
185.06075	1.0
187.04044	1.9
188.04791	1.1
193.01407	4.6
201.05540	0.6
202.06323	0.7
203.07152	5.6
205.01454	0.6
205.05070	3.4
211.04126	0.3
217.08789	0.5
221.08203	1.1
227.07112	0.8
230.05891	0.4
243.12338	0.3
245.04402	0.4
245.08133	5.7
247.06256	0.5
253.05078	1.3
259.06088	1.4
271.06134	4.1
272.06592	0.4
275.05551	0.4
287.05557	0.7
289.07172	36.5
290.07507	2.1
303.05096	1.5
331.04501	2.0
331.13519	0.3
441.08228	6.2
441.17612	0.7
442.08392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06435	0.8
52.80082	0.7
55.01868	3.0
57.03419	2.3
58.00599	1.0
58.42934	0.7
59.01377	55.6
67.01883	1.4
69.03451	1.2
69.99966	0.8
71.01381	25.9
71.01780	1.3
73.02946	14.3
73.41685	0.8
79.01892	2.2
83.01393	9.6
85.02946	15.5
87.00865	2.0
89.02440	2.6
93.03460	1.4
95.01376	10.3
97.02934	2.2
99.00877	5.1
101.02441	35.9
107.01379	1.1
109.02907	1.4
111.00891	2.0
113.02446	12.3
122.99982	1.7
123.00884	30.4
124.01692	10.5
125.02435	7.9
129.71400	0.8
136.72078	0.8
137.02510	1.6
139.00343	5.3
140.01157	3.4
141.01942	4.1
143.03490	1.5
159.02980	2.9
161.04568	13.1
165.01884	1.8
166.99857	19.5
168.00627	9.9
169.01430	18.0
181.01405	3.1
190.99861	4.5
195.21242	0.9
209.01013	1.0
210.01698	1.6
211.02455	11.2
235.11868	69.2
236.12254	3.2
241.03520	3.1
269.03006	9.4
270.03787	14.9
271.04602	3.7
306.97260	0.8
329.05289	1.2
330.05899	3.9
381.17648	100.0
382.18109	8.6
441.10141	3.2
442.11133	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2028
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
52.56437	1.1
62.61823	1.0
64.75300	1.3
65.99847	1.3
66.06641	1.1
70.04299	1.7
70.04633	1.9
75.27477	1.0
77.89420	1.0
101.06075	2.1
114.17970	1.0
196.11363	2.0
212.61942	1.1
254.15547	13.3
278.11807	2.3
280.17065	2.7
294.14963	6.8
319.57382	1.2
333.17383	3.2
348.19495	5.2
350.18222	2.0
381.20618	2.8
384.13153	6.2
441.20291	100.0
442.20630	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74261	0.4
57.64350	0.5
59.01108	0.8
59.01376	6.8
69.21904	2.7
71.01382	2.8
79.01891	0.5
83.01326	0.4
85.02933	1.0
89.02436	1.3
95.01408	1.0
97.02930	0.6
98.22733	0.9
101.02411	0.6
105.55226	0.4
107.01389	3.9
111.00873	1.2
111.65508	0.4
113.02473	0.8
116.01710	0.4
123.00893	4.8
124.01659	17.3
125.02451	26.6
126.02761	0.9
136.98824	0.6
137.02458	0.6
139.00377	1.8
139.04013	1.4
140.01134	1.4
141.01936	0.6
151.00322	1.8
154.99899	0.5
165.01938	0.5
166.99809	0.4
167.03468	1.0
167.99171	0.5
168.00629	14.4
169.01425	35.8
170.01762	0.9
183.03009	1.1
211.02477	58.8
212.02940	2.2
234.88103	0.5
241.03510	1.7
271.04590	100.0
272.04895	5.5
331.06696	18.4
331.10666	0.8
332.06918	1.4
380.05566	0.5
391.56168	0.5
443.11954	13.1
444.12234	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	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.5
69.73225	1.5
69.73566	0.9
71.01384	3.4
85.02946	0.7
89.02457	1.6
91.88881	0.5
97.27392	0.5
98.21879	0.7
101.02425	1.0
107.01379	3.3
111.00890	1.7
113.02450	1.2
118.44096	0.5
123.00887	4.0
124.01655	15.2
125.02444	24.2
126.02763	0.8
126.07587	0.6
133.87790	0.5
136.98793	0.7
139.00339	1.0
140.01167	1.4
141.92479	0.6
151.00368	2.3
151.54143	0.5
165.01877	0.7
167.03514	0.9
168.00648	15.4
169.01422	44.9
170.01807	1.7
201.92735	0.5
211.02470	80.6
212.02795	4.1
227.61234	0.6
241.03557	2.2
271.04587	100.0
272.02274	0.6
272.04861	3.6
286.79922	0.5
331.06711	11.2
332.07043	0.8
443.11972	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	444.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75367	0.4
57.03447	0.6
59.01378	100.0
60.55933	0.5
61.98819	0.6
71.01380	16.4
71.03571	0.8
73.02950	1.2
80.65491	0.4
83.01405	0.4
85.02953	2.6
87.00872	0.6
89.02447	24.1
95.01395	1.1
101.02442	9.1
107.05052	0.9
109.02982	1.4
113.02453	7.7
114.21204	0.4
119.03504	9.9
123.00932	0.5
124.51038	0.5
125.02454	1.5
131.03519	1.3
136.90033	0.6
141.56018	0.5
143.03537	2.1
144.37589	0.5
149.04565	0.7
149.06065	0.5
150.62271	0.5
153.09276	0.4
161.04579	2.9
169.01477	1.2
177.02200	0.4
179.05614	9.3
205.12332	4.7
211.02542	0.5
221.11925	0.7
222.12225	0.7
254.57077	0.5
385.18881	1.3
445.20828	0.9
459.37555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67339	2.8
57.03429	2.9
59.01380	100.0
61.98824	4.0
69.46194	13.6
70.10251	3.1
71.01382	39.8
73.02921	9.9
83.01364	3.0
85.02953	16.9
87.00880	9.1
87.04515	5.0
89.02448	38.9
92.67070	3.1
95.01410	6.4
97.06563	5.2
98.22654	3.8
99.00896	4.3
101.02449	36.7
107.05022	3.1
109.02930	3.3
111.04498	4.0
113.02450	14.3
119.03515	19.9
123.00875	8.9
124.01671	6.3
125.02533	15.1
125.06091	9.7
126.02802	5.0
127.03958	4.2
129.05586	8.3
131.03500	3.4
138.06886	3.3
139.07585	3.8
146.04535	2.7
149.06096	2.9
151.07631	4.7
153.09224	10.1
154.27179	2.9
161.04549	6.2
165.09254	21.6
168.00632	9.1
169.01419	20.8
170.01758	7.6
177.09215	10.3
177.12843	5.0
179.05588	11.3
187.10672	2.8
188.29886	2.7
191.10829	2.8
203.10493	3.5
205.12326	5.7
211.02470	22.8
212.02800	20.1
219.10272	8.9
220.11079	20.6
221.11824	14.6
222.72852	3.0
223.13406	6.0
237.11212	6.9
239.12892	12.1
247.08202	10.6
263.12772	7.0
271.04590	30.2
272.04944	50.2
281.13950	16.3
300.99805	3.4
331.06677	5.4
332.07086	9.8
383.17151	14.9
401.18271	61.6
402.18555	6.5
444.11703	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	444.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03453	5.0
59.01377	100.0
64.49446	1.2
67.16432	1.1
69.03482	1.4
71.01379	52.5
71.05035	1.7
71.44514	1.1
73.02940	17.0
75.84072	0.9
80.78416	1.0
81.03469	1.9
83.01389	7.8
85.02950	19.9
87.00864	4.5
89.02447	33.8
90.99537	1.0
93.03463	5.3
95.01384	6.0
95.05039	1.6
97.02993	1.4
99.00880	5.4
99.04526	2.3
101.02439	44.3
101.03101	2.4
103.04038	1.1
108.82794	1.0
109.02945	2.9
113.02449	22.4
115.83665	1.1
119.03503	13.4
123.00899	1.7
123.04504	1.8
124.01706	1.0
125.02436	6.3
125.06084	3.7
131.03499	1.7
131.07129	1.6
137.02443	8.6
139.07726	1.4
143.03500	4.1
149.04565	2.3
151.07654	2.3
153.01967	1.4
153.09210	1.7
159.02983	3.7
159.11810	2.1
161.04562	31.7
161.09613	1.4
161.29237	1.2
163.07529	1.5
165.05522	2.4
165.09206	6.9
169.01373	4.4
177.12801	1.7
179.05620	8.5
179.10782	8.1
181.08727	10.4
193.12474	1.4
203.10747	4.4
205.12276	4.0
221.11810	16.5
222.12219	1.5
223.13245	2.0
239.12848	10.3
247.09894	1.5
265.10727	2.7
271.04599	1.3
272.04865	1.6
293.12402	2.3
299.11331	7.6
332.06363	1.0
343.13919	3.3
383.17316	1.3
385.18643	3.3
401.18137	87.8
402.18475	7.9
408.10074	1.5
427.16052	1.1
445.04141	2.0
445.12961	3.3
445.17923	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	445.0777
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03450	0.6
59.01379	3.8
63.02395	1.9
65.00332	3.1
69.23439	2.4
71.01369	1.4
72.01172	0.4
73.02944	1.4
83.01411	3.1
85.02971	0.7
89.02437	2.0
101.02454	1.0
107.01392	6.7
109.02968	0.9
113.02443	0.5
124.01652	0.6
125.02444	5.7
133.02960	1.1
135.04517	1.1
137.02431	1.3
139.55251	0.5
145.02991	2.4
147.04498	1.3
151.00372	26.9
152.01053	1.0
153.01849	1.0
159.04427	0.7
161.02426	5.4
162.03265	1.3
163.03995	3.8
164.01187	0.5
169.01443	2.1
173.02469	0.7
174.03114	0.6
175.03989	2.4
177.01912	1.3
178.99857	13.8
180.00299	0.5
184.25888	0.5
185.02501	0.5
187.00375	1.4
187.04005	0.9
189.01974	3.2
191.03502	2.3
192.00635	1.1
193.01379	0.6
198.47218	0.5
199.04033	1.0
201.01968	1.1
203.03493	2.0
205.32219	0.5
217.05020	0.7
221.04582	0.6
221.15511	0.6
223.03853	0.6
225.05589	0.5
227.03519	1.9
229.01268	0.7
229.05038	0.8
239.03476	0.9
240.04333	0.7
241.05061	1.2
243.03015	0.7
245.00835	0.5
247.02531	0.7
251.03487	1.3
253.05017	0.6
255.02960	1.2
257.04449	0.6
265.14456	1.5
267.02945	1.5
269.04559	1.5
270.01651	0.7
271.02472	1.1
279.02982	1.1
280.03763	0.7
283.02533	0.9
283.15488	2.0
284.03140	0.7
285.04041	1.3
295.02469	7.8
296.03253	1.9
297.04034	6.7
298.01328	1.0
299.02121	0.9
300.02591	0.9
301.03519	2.3
307.16144	0.5
309.04034	0.7
311.01907	2.1
312.02628	0.7
313.03525	7.0
314.03799	1.0
323.01956	9.1
324.02567	1.8
327.01434	6.5
327.04904	0.6
328.01923	0.8
341.03009	23.1
342.03433	1.3
343.04611	1.0
353.03000	1.0
355.04541	1.7
373.05743	1.7
383.04413	0.6
427.06982	0.6
445.07751	100.0
445.24533	1.5
446.08105	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	445.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36312	1.8
55.01864	3.7
57.03445	18.4
59.01366	11.0
67.01878	5.1
69.17877	12.5
71.01376	73.3
73.02944	19.7
75.00866	4.3
83.01382	16.5
85.02947	18.1
87.00863	2.6
89.02459	2.3
93.03445	3.0
95.01337	2.3
99.00881	100.0
101.02413	11.7
102.38901	2.0
108.02170	49.7
109.02972	17.2
111.00875	34.0
112.98806	55.8
113.02438	7.1
115.00376	8.7
123.00855	11.3
125.02470	6.2
129.01939	46.8
130.08698	3.7
136.77353	2.4
137.02461	2.1
142.99895	11.1
145.01425	9.9
151.03990	4.2
159.02983	3.5
161.04561	21.3
163.04088	2.7
173.00909	23.9
173.04503	13.3
179.89977	1.8
179.97459	2.8
180.98206	6.3
211.96352	3.5
221.98499	8.2
222.99225	15.7
253.97397	19.7
271.08282	13.1
288.07623	6.7
325.02240	8.5
385.04504	41.1
406.08112	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	445.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01378	100.0
60.01733	0.6
61.14925	0.5
61.98828	1.5
69.03486	0.5
71.01381	25.2
73.02953	6.7
73.79871	0.5
75.00900	0.4
81.03441	0.7
83.01394	1.8
83.05032	1.5
85.02952	7.6
87.00879	1.6
89.02443	24.2
93.03458	39.1
94.03782	0.8
95.01396	1.6
95.05039	1.3
99.00869	1.1
101.02442	14.7
107.05042	0.9
108.02153	0.6
109.02937	1.6
109.06623	0.8
110.71774	0.5
113.02444	10.5
119.03493	8.8
121.02961	1.7
121.06587	1.1
123.00838	0.8
123.04520	1.3
125.02447	2.2
131.03500	1.0
131.07086	0.6
135.08118	0.8
137.02443	85.7
137.09737	0.8
138.02780	2.2
143.03506	3.0
149.04590	0.6
151.04034	4.3
153.01854	0.7
159.02985	1.9
159.11751	0.8
161.04553	22.3
161.09718	7.5
163.11322	1.2
164.08412	1.1
165.05547	0.7
169.01411	1.9
179.03554	3.2
179.05609	9.7
179.10768	19.2
180.11064	0.8
187.11314	2.1
190.09991	1.8
191.05626	0.7
203.10823	1.0
205.12321	16.0
221.11812	1.0
223.13359	8.3
233.11707	0.7
293.12222	0.9
331.61893	0.5
341.16119	1.0
385.18790	3.2
402.18365	1.2
407.09970	1.1
445.03754	1.2
445.13382	2.0
445.21231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30496	0.5
51.07326	0.6
56.00251	0.6
57.03427	0.9
58.00612	0.9
59.01377	50.2
60.01677	0.6
61.98832	5.6
67.16731	0.6
69.03465	1.2
69.76826	2.3
71.01382	17.4
72.99292	1.6
73.02943	21.8
83.01385	1.1
85.02950	8.3
86.00093	1.4
87.00877	7.1
87.04520	4.6
89.02445	13.9
95.01369	1.3
97.02939	2.3
99.04532	0.8
101.02444	23.6
103.04009	7.6
103.72761	0.7
103.77661	0.6
106.95224	0.6
107.01383	1.2
108.02157	7.4
109.02956	18.1
111.00870	1.3
113.02450	2.8
115.04018	7.0
119.03506	6.0
119.05020	7.2
123.00874	2.7
123.04491	1.6
124.01657	2.3
124.72208	0.6
125.02470	6.9
126.02829	1.6
127.04008	0.9
131.03499	7.8
138.05612	6.0
143.03510	9.7
145.05110	3.5
149.02414	0.7
151.03979	1.8
152.01157	12.2
153.01939	31.5
154.02237	1.4
163.06113	17.3
167.03421	1.5
168.00620	1.1
169.01411	5.5
170.01854	0.9
171.01939	1.7
177.01938	0.7
179.05602	1.0
195.02983	67.1
196.03305	2.1
203.10768	0.8
205.07178	14.8
211.02403	4.1
212.02771	2.3
213.02888	3.5
216.11656	0.7
225.04056	1.6
225.14900	0.7
255.05098	100.0
256.05432	3.8
265.10718	1.8
271.04633	6.6
272.04935	4.3
273.05118	8.8
301.00079	1.1
311.08597	0.7
315.07291	6.1
315.63934	0.8
333.07089	1.4
445.12274	6.6
445.17963	28.7
446.17236	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	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73536	0.9
55.01876	1.4
57.03436	1.0
59.01378	90.0
60.01675	1.1
69.03469	1.4
69.36594	2.4
69.37003	3.2
71.01382	27.8
72.99312	1.4
73.02944	37.3
80.88482	1.0
83.01377	3.2
85.02948	14.2
86.00085	2.8
86.65950	1.0
87.00879	12.2
87.04505	7.1
89.02441	28.4
95.01386	1.4
96.10832	1.1
97.02950	1.5
99.04512	1.5
101.02439	35.8
103.04006	16.5
113.02446	7.0
115.04016	16.0
119.03554	11.5
119.05025	31.5
125.02466	5.6
131.03499	13.1
137.06064	1.9
143.03497	17.0
145.05072	4.7
163.06123	30.4
164.06554	1.3
168.00630	1.4
169.01434	2.9
190.94563	1.2
204.09911	1.2
205.07167	26.5
211.02528	2.9
212.02776	1.6
213.02827	1.6
265.09274	1.2
271.04541	3.8
272.04977	2.9
273.05008	6.6
299.11273	7.0
305.18484	1.0
373.99634	1.0
445.17139	100.0
446.17520	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	445.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03448	1.5
58.00597	0.9
59.01376	100.0
60.01734	1.1
61.98818	3.7
69.03441	1.3
69.31920	2.5
71.01379	29.0
72.99316	1.3
73.02943	26.3
75.00883	0.6
80.69821	0.5
81.60845	0.5
83.01398	2.2
85.02946	10.8
86.00085	1.1
87.00871	6.0
87.04504	2.7
89.02435	21.0
93.03461	1.7
95.01380	1.4
97.02943	2.5
99.00893	1.5
99.04527	0.6
101.02439	36.7
102.02747	0.6
103.04015	11.8
104.04353	0.6
107.04990	1.2
108.02164	1.3
109.02955	6.4
113.02449	8.4
115.04012	8.6
119.03505	8.3
119.04986	5.9
123.08146	1.0
125.02468	2.3
125.06116	1.1
127.04068	0.8
131.03488	7.8
137.02486	2.9
137.06108	1.5
138.06859	3.1
139.07674	1.8
143.03497	9.1
145.05066	4.0
151.07651	4.4
152.04781	0.7
152.08421	6.7
153.01918	6.6
153.09206	26.1
154.09602	1.0
159.02956	1.3
161.04543	10.1
163.06116	29.6
163.11299	0.8
164.06454	0.8
171.69821	0.5
179.05664	2.3
179.10823	0.9
205.07173	16.5
205.12288	8.2
206.12836	0.6
208.88263	0.5
223.13380	10.0
224.13759	0.8
230.94363	0.5
231.58656	0.6
235.08195	0.8
265.09424	2.3
297.06210	1.2
385.01956	0.8
385.18674	19.4
386.19278	1.9
407.09891	10.8
408.10001	0.6
409.10251	1.7
445.17203	11.8
446.17773	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	0.8
61.35162	0.6
69.60467	0.6
70.50963	1.0
71.01375	15.4
83.05035	2.5
85.02956	1.5
87.00900	1.0
89.02438	25.1
95.01398	1.0
101.02436	7.6
113.02451	6.0
119.03497	11.3
131.03551	1.1
143.03529	3.0
147.89394	0.7
149.04517	0.8
161.04547	4.0
179.05602	19.5
179.07141	1.0
358.33255	0.7
445.20694	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05436	0.9
54.46373	0.9
57.03432	1.6
59.01377	100.0
60.01722	1.0
61.98819	1.6
69.33828	4.1
69.78254	0.8
71.01379	29.8
72.99310	1.0
73.02941	16.5
83.01400	1.5
83.43873	0.8
85.02943	11.6
87.00885	3.6
87.04520	2.1
89.02448	18.2
90.02801	0.9
95.01391	1.3
97.02950	2.0
99.00872	1.7
101.02437	25.2
103.04024	6.9
109.02956	0.9
113.02444	9.9
113.06026	1.0
115.04008	3.6
119.03510	6.2
119.05015	2.8
123.08125	1.1
125.02535	1.1
125.06073	2.2
128.70389	0.7
131.03482	4.2
135.23114	0.7
137.06149	1.2
138.06854	4.9
139.07617	2.4
143.03455	5.6
145.05121	1.8
148.23219	0.7
151.07666	6.3
152.04759	1.4
152.08444	9.3
153.01923	2.3
153.09210	35.0
154.09521	1.4
159.02977	3.2
161.04568	16.0
161.09705	1.0
163.06119	17.1
163.11227	1.1
179.05595	2.2
179.10748	3.2
205.07191	9.5
205.12323	15.3
206.07440	0.9
223.13368	16.5
223.63034	1.0
265.09274	2.2
321.02109	0.8
385.18643	36.5
386.19095	2.9
407.09714	5.8
445.17258	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19628	0.5
56.65049	0.6
57.59350	0.5
59.01377	100.0
63.82839	0.5
69.13960	3.0
71.01378	22.7
73.02959	1.1
83.01392	0.8
83.05019	1.2
85.02951	3.1
87.00874	1.1
89.02441	36.7
93.03454	14.5
93.04012	0.9
95.01389	1.6
96.30749	0.5
101.02441	13.6
109.03007	0.7
113.02449	9.2
119.02658	0.8
119.03497	15.4
119.04315	1.0
121.02979	0.8
125.02428	1.2
131.03528	1.6
137.02444	31.0
138.02769	0.8
140.25479	0.5
143.03470	4.0
149.02403	0.5
149.04584	1.0
151.04062	2.0
153.09201	1.2
161.02449	0.6
161.04549	4.8
179.03773	1.3
179.05611	18.7
179.10783	0.9
187.11278	1.4
205.12318	4.1
319.55377	0.6
385.18643	7.6
415.09146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44506	0.8
59.01379	100.0
63.12255	0.7
69.35265	3.9
71.01384	9.6
85.02950	1.6
86.62410	0.8
89.02444	11.8
92.78118	0.7
95.01392	1.1
101.02453	4.4
113.02451	4.3
119.03503	5.1
128.14203	0.8
149.06097	1.0
179.05518	1.1
205.12340	5.6
215.96045	0.9
367.38190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25652	0.6
58.71587	0.7
59.01380	100.0
69.91183	1.5
71.01376	9.8
73.02972	1.9
79.41331	0.7
83.01393	0.8
85.02970	2.3
87.00903	1.4
89.02443	11.4
101.02447	7.0
113.02465	5.2
118.18983	0.6
119.03497	6.2
119.04845	0.7
125.02498	1.3
131.03537	1.0
139.82259	0.7
143.03581	0.9
151.00391	1.5
161.04585	2.9
163.11345	1.3
169.01468	0.9
179.05646	3.0
187.11273	3.6
189.01987	1.9
190.10052	0.9
204.11446	0.9
205.12358	3.6
209.11838	13.2
233.11891	1.3
253.09331	1.8
259.13202	0.9
266.99112	0.8
277.14529	2.1
282.47202	0.8
295.02594	0.9
341.03091	5.7
361.32166	0.8
385.18637	3.7
445.07706	1.3
445.20813	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01378	100.0
60.01717	0.7
61.98842	1.2
69.43723	2.4
71.01380	16.6
73.02955	2.7
75.00851	0.8
82.17763	0.5
83.01374	1.1
85.02965	3.6
85.18546	0.6
87.00896	1.1
89.02445	20.2
93.03452	0.7
95.01392	1.4
99.04528	0.6
101.02443	13.3
107.01431	0.8
108.05589	0.6
113.02439	8.4
118.98101	1.5
119.03502	12.5
120.45660	0.7
120.99676	1.8
125.02443	2.1
131.03551	1.2
137.02405	1.2
139.87015	0.6
143.03529	2.2
145.02953	1.1
149.04590	1.3
151.00417	2.4
161.02460	0.9
161.04553	4.4
165.09218	8.9
169.01369	1.5
178.99802	1.0
179.05594	5.8
187.11334	1.8
205.12436	1.4
209.11879	0.8
214.02699	0.7
223.13478	1.6
241.01512	0.9
242.02188	1.0
243.02826	0.7
247.13522	1.0
255.02983	0.8
265.14609	0.8
270.01611	1.4
271.02441	1.1
283.02597	2.4
283.15640	1.2
297.04385	0.9
298.01407	0.7
299.02039	2.4
313.03568	0.7
323.01874	0.7
341.03107	2.4
361.12119	0.6
369.05792	0.6
385.18661	12.6
386.19055	1.7
445.07736	10.3
445.19666	1.4
445.24701	4.0
446.08069	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27206	0.4
59.01376	100.0
60.01702	1.0
61.33628	0.5
61.98824	0.8
62.89326	0.4
69.20328	2.2
71.01378	11.4
85.02947	1.6
87.00867	0.8
88.04065	0.8
89.02440	18.0
95.01403	0.8
95.11594	0.4
101.02442	5.9
108.02164	0.5
109.02979	0.8
113.02443	5.0
115.15289	0.4
116.36514	0.4
119.03502	6.7
125.02483	0.6
130.45343	0.4
131.03505	0.7
143.03545	1.4
149.04579	0.7
149.46660	0.4
161.04587	2.5
179.05576	5.2
179.06966	0.5
210.15128	0.5
241.01570	0.9
242.02335	0.6
270.01764	0.5
271.02631	0.5
274.82645	0.5
299.02188	0.5
327.71713	0.5
367.74704	0.5
432.21027	0.5
445.07864	0.9
445.24878	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	446.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.00594	1.3
59.01377	100.0
59.75558	0.8
65.31672	0.8
71.01379	35.2
72.01719	1.6
76.91752	1.0
78.05550	0.9
82.00017	0.9
85.02980	4.5
87.00879	1.6
89.02441	56.1
90.02781	1.1
95.01384	3.6
98.22720	1.5
101.02435	19.3
108.20715	0.8
109.02966	1.1
113.02441	16.2
119.03500	22.5
122.70937	1.0
123.00883	2.5
124.01666	2.3
125.02478	6.2
126.02773	3.2
127.02862	1.5
131.03496	2.2
143.03497	4.9
149.04510	2.8
152.01093	0.9
161.04562	7.7
165.09227	4.6
165.72987	0.9
168.00668	1.4
169.01407	6.9
170.01720	3.6
171.01843	4.1
172.02126	1.4
179.05611	22.9
211.02409	6.3
212.02809	6.5
213.03000	5.9
214.03238	4.7
256.05472	1.3
271.04620	4.9
272.04947	10.2
273.05139	13.5
274.05414	13.9
275.05652	1.2
317.16089	2.2
334.07513	3.2
446.12769	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19813	0.3
59.01377	2.2
61.98824	2.2
63.02395	1.3
65.00322	1.9
69.08379	1.6
83.01388	1.3
91.01908	0.6
93.03428	1.0
94.52497	0.2
96.73899	0.3
107.01389	5.1
108.02181	2.4
109.02944	3.3
119.01346	0.3
121.02956	4.1
125.02435	0.6
125.99179	0.3
130.84488	0.3
135.00856	1.3
136.01645	0.4
139.04048	0.2
145.02942	0.3
148.01669	2.0
149.02441	0.7
151.00369	20.2
152.00870	0.3
157.06538	0.3
159.04471	0.6
161.02449	0.5
163.00357	5.2
163.04010	0.4
163.96216	0.3
164.01128	1.0
169.01419	0.7
171.04500	0.5
173.06044	0.4
175.04005	0.4
178.99860	10.2
183.04503	1.0
185.06082	0.6
187.03969	1.0
188.04893	0.3
190.99902	0.6
192.00639	0.5
193.01292	0.6
198.03256	0.5
199.03998	1.1
200.04648	0.3
201.05568	1.0
203.03468	0.4
211.03952	2.8
213.02014	0.3
215.03545	0.6
216.04361	0.7
226.02702	1.4
227.03487	13.2
228.03978	1.0
229.01419	0.4
229.04973	1.9
231.43149	0.3
239.03503	0.8
243.02969	10.4
244.03458	0.9
245.04486	3.8
254.02179	1.8
255.02974	42.4
256.03485	3.7
257.04517	0.6
266.02124	0.7
271.02466	57.5
272.02921	4.7
273.03931	2.5
283.02457	2.9
284.03247	12.0
285.03989	4.5
299.01971	1.1
300.02734	100.0
301.03488	78.6
302.03827	4.7
328.05164	0.3
343.04153	0.3
447.09293	96.4
448.09634	9.7
448.14368	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18935	0.2
59.01376	13.4
61.98824	0.8
62.77067	0.2
63.02395	1.4
65.00330	0.7
66.70280	0.3
69.12711	0.6
69.13126	0.8
71.05030	0.5
71.05379	0.2
73.02927	0.4
74.05283	0.2
74.10726	0.2
79.53592	0.2
83.01377	1.1
85.02948	0.8
89.02477	1.3
90.95523	0.2
91.03022	0.2
93.03452	0.7
95.01389	0.4
101.02450	1.2
105.03434	0.5
107.01389	2.8
109.02934	0.7
113.02428	1.0
119.03498	0.6
121.02928	0.6
122.00181	0.2
123.00881	0.2
127.78781	0.2
133.02953	4.5
133.03877	0.4
134.03767	1.2
136.01643	0.5
137.02438	2.9
148.01677	0.5
149.02420	1.7
149.99605	0.4
151.00366	5.1
151.03996	0.7
161.04581	1.5
173.06053	0.2
175.04042	1.6
177.01913	0.5
179.03528	1.9
179.14366	0.5
183.04536	0.5
185.06081	0.4
187.04073	0.4
188.04752	0.4
195.23508	0.3
197.06224	0.3
198.03166	0.3
199.03987	2.1
200.04745	0.8
201.01836	0.4
209.04526	0.5
211.04012	1.0
212.04755	0.6
213.05502	0.5
213.22675	0.2
215.03476	0.3
217.05089	0.7
223.13402	0.8
227.03458	1.9
228.04228	0.7
239.03427	0.3
239.05565	2.2
241.05026	0.7
243.02930	0.6
243.06593	0.3
255.03011	1.1
256.03738	4.3
257.04218	0.5
267.02814	0.4
267.12448	1.5
269.04428	0.4
283.02509	1.0
284.03250	62.6
285.04010	100.0
286.04343	6.3
297.04178	0.3
314.00549	0.3
327.05151	1.2
387.20221	2.1
411.12906	2.9
412.13129	0.4
447.09302	74.0
448.09607	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01181	0.5
59.01304	2.0
61.98774	1.0
62.50928	0.4
65.00268	0.9
69.38474	1.8
71.01296	4.6
73.02864	1.7
73.03245	0.6
83.01308	1.3
84.03231	0.4
85.02943	3.5
93.03426	0.9
95.01358	0.7
99.00880	0.5
101.02423	2.7
107.01321	1.5
108.02171	15.6
109.02956	21.0
113.02388	2.1
117.03403	1.0
121.02917	1.6
132.02167	17.7
133.02980	3.8
134.03743	16.7
134.04723	0.4
135.04498	1.3
137.02431	1.5
145.02931	1.3
149.06055	1.8
151.00378	7.0
160.01659	85.4
161.02454	14.4
161.04492	0.8
162.02946	0.7
163.00407	1.5
164.01080	0.5
175.04002	100.0
176.04356	4.2
177.02005	0.6
178.02687	1.6
178.99878	3.1
179.03540	2.2
187.03967	0.6
192.00653	0.9
193.05054	12.2
193.06703	0.8
194.05380	0.4
199.04080	0.6
201.05614	0.4
211.04138	0.8
215.03639	0.6
217.05115	0.6
227.03635	1.4
233.70387	0.4
243.03046	3.5
245.04585	0.5
249.04173	1.0
254.02434	0.5
255.02968	10.7
256.03641	0.8
271.02493	20.4
272.03287	1.8
283.02582	1.0
284.03262	1.1
285.04050	6.1
286.04510	0.5
300.02747	38.8
301.03503	31.1
302.04144	1.4
307.08664	0.7
323.07736	3.1
337.09277	18.1
338.09857	1.0
342.17142	0.5
447.00650	1.7
447.13831	58.8
448.14197	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06455	0.3
59.01105	0.5
59.01376	3.6
59.15896	0.4
65.00346	0.7
70.56998	0.3
70.99536	0.4
71.01385	1.6
83.01382	0.5
89.02448	2.2
101.02481	0.8
107.01391	2.0
108.02171	0.6
109.02965	1.5
113.02460	1.1
119.03538	0.8
121.02966	1.1
132.02094	0.5
133.02946	6.9
149.02409	1.5
151.00371	9.2
160.01552	0.5
161.02408	0.4
161.04549	1.0
163.00372	1.3
171.04520	0.6
175.03973	3.8
178.99911	2.2
179.05684	0.7
192.00665	2.6
193.01097	0.4
199.03981	2.3
201.02011	1.1
201.05672	0.4
207.03024	1.2
211.04001	1.1
213.05653	0.7
215.03514	0.9
217.04956	2.0
226.02556	0.4
227.03458	1.1
241.05037	0.6
243.02977	3.1
245.04597	0.6
254.02229	0.5
255.02983	6.4
256.03723	2.9
257.04492	0.8
271.02466	14.0
272.02985	0.9
283.02643	0.5
284.03244	3.5
285.04050	100.0
286.04367	5.8
300.02753	22.2
301.03482	16.9
302.03839	1.4
314.00336	0.4
375.53207	0.4
447.09280	43.1
448.09662	4.5
474.09946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35132	0.4
58.41721	0.4
59.01378	11.5
61.98822	4.0
63.02380	1.0
65.00311	1.9
69.03440	1.7
69.30735	1.2
69.31137	1.6
71.01372	1.5
73.02931	1.2
79.01865	1.0
81.21179	0.5
83.01375	1.9
85.02923	0.6
89.02415	0.9
91.01878	0.6
93.03428	0.9
97.02936	1.6
101.02419	1.4
107.01388	9.2
108.02190	4.6
109.02942	6.4
113.02440	0.8
120.99623	1.7
121.02952	4.2
123.00880	1.5
124.01630	1.6
125.02446	4.3
132.16644	0.6
133.02953	1.4
134.03737	0.8
135.00841	1.4
137.02417	0.6
139.03992	0.7
148.01630	1.9
149.02383	1.5
151.00366	26.1
152.01004	0.8
153.01889	1.1
159.04517	0.8
160.01602	1.4
161.02425	1.0
163.00337	5.7
163.03976	1.1
164.01131	1.1
168.00685	0.8
169.01367	3.0
173.06013	0.6
175.04059	2.2
177.01891	0.7
178.99840	9.4
183.02997	1.0
183.04503	1.1
185.06015	0.6
187.03938	1.2
190.99899	1.2
191.05463	0.7
192.00629	0.9
193.05045	0.5
199.03897	0.9
201.05569	1.3
203.08281	0.5
211.03920	2.7
211.13420	0.7
213.01869	0.6
215.03479	1.2
217.04843	0.6
225.05545	6.4
226.02678	1.9
227.03484	4.8
229.04976	1.5
239.03412	0.8
242.05759	3.4
243.02968	12.8
243.06589	2.4
243.12328	0.9
244.03384	1.2
245.04535	3.2
254.02203	2.2
255.02979	33.0
256.03415	3.3
266.01923	0.7
271.02469	62.4
272.02881	5.2
273.03992	3.0
283.02478	2.7
284.03177	3.6
285.04019	15.4
286.04410	0.8
287.55099	0.8
297.06155	1.3
298.98816	0.6
299.02057	2.1
300.02725	100.0
301.03488	86.7
302.03815	4.8
370.06198	1.1
370.56165	2.2
371.06287	1.3
405.11893	2.8
446.56790	1.5
447.09277	94.4
448.09583	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1293
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
58.24615	0.4
59.01318	1.7
61.98782	1.1
69.33562	0.4
69.54424	1.9
71.01379	4.5
73.02908	1.2
83.01349	0.8
84.29192	0.5
85.02964	2.4
86.98098	0.4
95.01342	1.3
101.02435	2.5
107.01367	1.0
108.02171	14.7
109.02960	20.9
113.02386	1.8
117.03429	0.7
121.02921	1.2
132.02167	17.0
133.02972	3.9
134.03738	15.3
135.04501	1.3
137.02448	1.1
139.03975	0.7
145.02956	0.8
148.01677	0.6
149.06085	2.2
151.00369	5.2
160.01651	86.0
161.02458	14.3
161.04518	1.0
163.00362	1.0
175.03998	100.0
176.04358	3.5
178.02675	1.2
178.99921	2.2
179.03477	1.5
193.05061	10.5
199.04099	0.6
217.05090	0.8
227.03526	1.3
243.03079	2.3
245.04640	0.7
255.02965	8.3
256.03394	0.6
263.26056	0.5
271.02466	12.7
271.05185	0.8
272.03107	0.9
274.75986	0.5
283.02469	1.1
285.04028	3.5
300.02731	26.9
301.03485	19.8
302.04041	1.3
307.08182	0.6
309.06366	0.5
323.07822	2.5
337.09277	19.6
338.09848	1.8
355.65036	0.6
375.05597	0.5
447.13489	65.8
448.13913	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
62.96404	1.1
69.43551	0.2
69.85407	0.6
71.01372	0.2
74.31152	0.2
78.95903	41.5
96.96951	2.8
98.22614	0.3
103.38008	0.2
135.03729	0.2
149.00089	18.3
151.00401	0.6
158.92555	1.7
178.99777	0.3
179.01167	2.2
181.17102	0.2
205.15967	1.4
211.13342	0.5
240.96700	0.2
243.02858	0.4
243.66777	0.2
255.03098	0.8
267.11722	0.4
271.02448	1.3
284.03149	0.3
285.04010	0.5
300.02768	2.8
301.03641	1.8
333.06531	0.3
347.08331	0.5
417.12283	0.9
429.26666	0.4
431.10306	2.7
447.13452	100.0
448.13800	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	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98817	0.8
62.32324	0.5
62.96403	0.7
67.60225	0.5
68.05910	0.5
72.87888	0.5
78.95900	41.3
96.96968	2.6
98.21858	1.1
121.87668	0.6
149.00087	18.7
151.00403	1.1
152.99606	1.5
158.92555	0.9
178.99806	0.9
179.01181	2.8
198.86067	0.5
205.15997	1.1
211.13451	1.9
227.03664	0.6
240.97003	0.5
243.02997	0.7
255.03011	2.0
271.02579	4.7
284.03403	0.9
285.04059	1.3
300.02713	7.3
301.03549	5.4
341.96149	0.5
347.08548	0.6
417.12613	1.2
431.10352	2.5
447.13513	100.0
448.13864	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72483	1.2
59.01376	15.3
71.01379	23.1
73.02950	7.7
83.01402	1.4
85.02946	9.6
87.00852	1.3
89.02444	100.0
90.02821	1.1
92.77189	0.9
95.01396	1.8
96.95998	8.8
97.30273	0.9
99.00869	3.0
101.02445	12.8
108.02174	62.7
109.02962	28.9
109.67984	0.8
113.02477	10.1
119.03512	2.2
123.04546	1.3
125.02421	3.5
133.05045	6.5
140.25531	1.0
143.03554	1.2
151.04012	4.7
151.43793	0.9
154.73859	1.0
159.02997	2.2
161.04555	40.5
162.05011	0.8
163.04025	1.8
169.01411	2.6
192.00650	2.7
207.03143	0.9
211.02477	2.6
250.27039	1.2
271.04849	2.9
271.08221	52.0
272.08554	4.0
295.10263	5.8
327.07190	3.0
368.59460	1.1
373.54660	1.0
447.11520	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
59.01379	17.2
66.86051	1.0
67.43181	1.0
69.84962	2.9
71.01379	25.0
73.02956	7.9
83.01389	2.4
83.53806	1.0
85.02944	10.3
87.00858	2.0
89.02443	100.0
95.01416	1.5
96.95995	6.7
98.69957	0.9
99.00887	3.3
100.78906	0.9
101.02437	13.0
108.02172	61.2
109.02954	30.5
113.02438	10.4
119.03530	1.9
119.34550	0.9
123.04582	1.1
124.01688	1.2
125.02456	2.9
133.05080	4.8
143.03491	3.0
143.63342	1.2
151.03993	6.2
159.02994	1.5
161.04555	40.7
162.04819	1.4
163.04054	1.4
169.01398	1.9
190.02736	1.2
192.00664	1.3
207.03127	1.7
211.02496	1.7
271.05032	2.6
271.08212	54.0
272.08517	3.1
284.03180	1.4
295.10275	3.7
327.07208	2.3
447.11328	12.5
448.11511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03432	0.4
57.71817	0.3
59.01377	100.0
60.01714	1.1
61.98828	1.7
67.01916	0.3
69.23477	1.7
69.34818	0.3
71.01382	7.3
73.02946	2.5
83.01398	1.3
85.02941	3.1
89.02454	3.8
95.01408	0.3
99.00870	0.6
101.02438	6.6
112.46849	0.3
113.02445	3.8
119.03475	2.0
143.03519	0.8
159.03006	0.8
161.04546	8.8
179.05644	0.6
215.64029	0.4
263.19360	0.4
267.12424	0.6
270.98911	0.4
298.98553	0.5
314.00693	0.7
387.20224	17.2
388.20792	1.1
447.05917	1.0
447.22650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54085	0.4
53.82999	0.4
59.01376	100.0
60.01696	0.9
61.98827	20.5
63.96202	0.6
71.01377	8.4
71.01727	0.6
73.02948	0.8
77.22990	0.4
79.31409	0.4
83.01388	0.7
85.02975	1.5
87.00880	0.7
89.02441	15.1
95.01414	1.1
101.02422	5.0
107.01407	1.1
109.02975	0.9
113.02449	4.9
119.03500	6.8
125.02457	2.1
131.03535	0.6
133.03004	1.0
137.02454	0.6
143.03566	1.3
149.04709	0.6
151.00403	2.1
151.04068	0.6
161.04570	2.6
163.00465	0.6
166.99962	0.5
169.01471	0.8
175.04106	0.8
177.17566	0.4
179.05586	5.4
183.03087	0.6
185.71382	0.4
191.05814	0.6
199.04187	0.5
208.08528	0.4
211.04079	0.5
227.03783	1.3
255.03198	0.8
256.04071	1.3
270.99142	1.9
271.02457	0.9
284.03262	16.1
285.04016	26.1
286.04663	1.2
289.07309	0.4
298.98502	2.5
299.99173	9.2
300.02850	1.2
301.00143	0.8
301.03427	0.8
314.00589	2.0
315.01456	7.6
327.05527	0.6
369.19363	0.6
387.20224	2.3
414.66635	0.5
447.10028	20.6
447.22464	3.5
448.10403	1.9
448.23468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.8
57.03433	1.0
57.24452	0.7
59.01379	100.0
60.01699	0.9
61.95707	0.8
61.98819	3.1
63.02402	1.5
65.00327	2.1
69.03448	1.8
70.99696	1.5
71.01381	13.1
73.02940	2.9
76.35670	1.0
83.01378	2.4
85.02956	3.3
87.00872	1.2
89.02441	12.3
93.03452	1.4
95.01366	1.4
97.02938	1.0
101.02425	8.1
106.02901	0.8
106.06615	0.9
107.01394	7.1
108.02194	4.6
109.02947	9.0
113.02428	5.2
119.03503	4.7
120.99664	3.5
121.02951	4.0
123.00867	1.7
124.01702	1.4
125.02440	5.3
126.02782	1.0
133.03050	1.0
135.00894	1.1
143.03452	2.7
148.01604	1.3
149.02435	2.1
150.05571	0.9
151.00365	21.3
152.00922	1.0
160.01669	1.7
161.04573	6.3
163.00359	4.1
163.11337	1.1
164.01234	1.7
165.12852	4.0
168.00589	1.1
169.01419	4.3
175.04034	2.5
178.99835	10.4
179.05637	3.5
181.06656	1.2
183.04482	2.1
189.12791	1.4
192.00676	1.1
195.13940	2.4
199.04030	2.4
207.13918	7.6
211.03963	0.9
211.13432	1.6
225.05588	12.1
225.14923	1.3
226.02812	2.2
227.03511	4.1
229.05066	2.4
239.03433	1.0
242.05836	1.5
243.02994	10.1
243.05373	1.1
243.06487	1.3
243.12369	1.2
245.04526	2.5
254.02274	1.9
255.02992	29.7
256.03595	2.7
257.04486	0.9
271.02472	59.2
272.03012	4.8
273.03998	2.6
283.02487	3.5
284.03201	3.6
285.04074	11.6
285.16959	1.3
287.05011	1.3
300.02750	89.5
301.03497	73.8
301.07062	1.9
302.03833	5.3
363.55692	1.6
370.56317	3.0
387.20142	10.2
405.12320	1.1
443.01938	0.8
446.57083	2.5
447.09329	75.6
447.21133	6.7
448.09613	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	448.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	49.0
61.98829	28.1
65.45567	2.6
66.88252	3.0
69.03455	42.7
69.39909	12.2
71.01389	9.5
73.02937	4.5
79.01889	24.9
80.84894	2.8
85.02935	4.6
89.02441	10.2
91.61433	2.8
97.02951	18.5
101.02426	6.7
107.01388	70.8
108.02167	12.7
109.02945	12.3
110.03262	3.3
113.02450	3.6
119.03500	5.7
120.99637	3.9
121.02937	5.4
122.03208	2.6
123.00846	5.3
125.02444	56.0
133.02940	4.0
135.04521	3.9
136.01685	5.0
137.02425	3.6
139.35040	2.9
145.02930	2.8
146.74942	3.0
149.02466	6.1
151.00371	88.4
152.00691	8.3
153.01950	13.3
163.00415	3.4
163.04007	3.4
177.01941	8.5
178.99876	6.1
180.00299	2.8
191.05591	13.9
197.06055	7.2
225.05611	16.2
226.05913	19.0
227.03381	3.8
228.03831	4.1
242.05844	96.2
243.02936	7.3
243.06573	62.2
244.03305	5.9
244.12547	3.6
253.01314	4.4
255.03062	13.6
256.03290	21.2
271.02460	22.1
272.02853	40.1
285.03894	7.6
285.07657	3.8
286.04407	6.6
297.06128	34.6
300.02713	32.9
301.03201	100.0
302.03854	67.2
389.21747	6.7
405.11880	84.3
448.09659	88.2
449.09610	5.7
449.23682	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
60.01722	0.6
61.80695	0.5
61.98831	100.0
70.14952	0.4
70.15277	0.7
79.08644	0.4
94.04835	0.5
97.67460	0.4
135.37230	0.4
180.64032	0.4
188.92593	0.4
199.86484	0.5
223.85324	0.4
299.98843	0.7
301.06528	0.5
448.06131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71693	0.3
57.62720	0.3
59.01373	5.7
60.01704	0.7
61.98827	100.0
62.72731	0.3
69.16907	1.4
71.01375	0.9
73.21515	0.3
77.16665	0.3
85.02946	0.4
89.02455	0.6
95.05301	0.3
107.01337	0.2
117.27479	0.3
119.03503	0.7
138.37125	0.3
140.86610	0.3
151.00400	0.3
160.01590	0.4
161.02121	0.3
175.04021	0.3
179.05618	0.3
191.05559	0.3
209.11871	0.5
227.03484	0.7
228.03886	0.9
255.02908	0.7
256.03391	1.0
269.13879	1.2
271.02304	0.5
272.03024	0.3
284.03329	0.7
285.03656	1.9
286.04330	1.3
299.02048	0.4
301.03186	0.4
302.03741	0.3
316.02063	0.3
448.09641	2.6
448.21304	0.4
449.20038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99053	0.2
58.71836	0.2
59.01379	9.5
60.01709	1.0
61.01799	0.5
61.98829	100.0
70.60557	0.2
71.01388	2.3
72.01728	0.3
73.02952	0.4
75.00853	0.2
83.01374	0.2
85.02971	0.6
89.02438	2.2
89.59362	0.2
90.02790	0.3
92.45528	0.2
93.03471	0.4
94.03783	0.2
95.01398	0.2
101.02428	1.3
102.02762	0.3
107.01385	0.2
109.02982	0.3
113.02448	0.9
114.02821	0.3
116.92889	0.5
117.92904	0.3
119.03477	0.9
120.03893	0.2
125.02470	0.9
135.04489	0.9
137.02486	0.7
138.02815	0.5
143.03583	0.2
151.00388	0.6
152.28555	0.2
161.04613	0.6
162.04944	0.4
169.00145	0.2
169.01465	0.7
177.01979	0.7
179.05594	0.5
179.35440	0.2
180.05949	0.4
191.05652	0.3
263.56610	0.2
286.04337	0.3
287.05716	1.0
287.15118	0.3
301.00043	0.3
313.05515	0.2
328.72928	0.2
387.20514	0.2
388.20596	1.3
448.18216	0.3
449.11169	0.5
462.60339	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.1
60.01707	0.8
61.01809	0.7
61.98828	100.0
67.01907	0.3
71.01371	1.3
71.90266	0.3
72.01724	0.3
76.26588	0.2
85.02962	0.7
87.00878	0.7
89.02452	1.5
93.03458	3.3
93.60977	0.2
98.22704	0.4
101.02467	0.4
109.02979	0.7
111.04518	0.4
113.02501	0.3
119.03535	0.5
125.02401	0.4
127.03951	0.3
135.04568	0.3
169.01430	0.3
173.04576	1.1
176.18259	0.2
179.05678	0.4
191.05592	8.5
191.07294	0.5
216.04260	0.3
225.29779	0.2
231.06671	0.6
285.00082	0.7
289.84515	0.2
289.95645	0.2
307.33679	0.2
357.57669	0.2
432.56836	0.3
448.05908	0.4
449.10922	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82240	0.4
59.01383	2.2
59.25764	0.4
61.98828	100.0
65.20428	0.4
69.19289	2.3
69.23502	0.3
71.01364	0.6
72.43559	0.4
73.77578	0.4
93.03463	0.8
101.02440	0.4
127.92250	0.4
151.00412	0.7
161.04697	0.4
173.04599	0.8
179.00053	0.5
196.94604	0.4
211.13388	2.2
212.13754	1.9
243.48909	0.4
244.03371	0.5
255.02985	0.6
256.03287	0.8
271.02521	1.2
272.02817	2.0
286.04553	0.5
300.02869	1.5
301.03198	5.3
302.03745	2.6
343.18890	0.5
404.54846	0.5
448.09686	4.3
448.26712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38929	12.3
59.01380	100.0
60.01713	13.7
61.98824	40.4
69.77013	25.4
69.77379	27.2
71.01389	44.6
73.02914	12.6
84.02522	11.9
85.02967	17.1
89.02443	53.1
101.02438	41.1
113.02461	25.6
116.61158	12.4
117.92900	13.9
119.03509	41.4
123.00891	18.4
125.02449	22.5
161.04541	33.6
177.01942	16.6
179.05566	16.2
191.05681	29.9
203.10849	18.1
221.11786	38.9
222.12122	20.2
229.01286	13.9
300.99829	21.0
389.08228	16.6
405.21146	16.4
409.27499	12.8
448.22156	24.1
449.20313	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
51.20333	0.9
57.03450	11.8
59.01382	9.4
61.98828	34.9
65.00324	3.9
67.97641	1.1
69.25923	2.9
71.01365	3.5
80.91682	1.3
81.03455	2.4
83.01374	7.8
85.02937	1.1
87.00885	2.3
89.02473	2.3
93.03445	8.4
97.02934	2.6
101.02451	3.3
107.01382	7.8
107.05039	1.5
109.02943	2.9
113.02414	1.4
115.53979	0.9
117.03448	2.8
117.26523	0.9
121.02967	5.2
123.00926	1.3
124.01680	2.2
125.02447	100.0
126.02788	2.2
131.05034	1.7
133.02939	2.4
134.03745	2.2
135.04565	1.6
137.02432	2.5
139.04015	2.3
140.95734	0.9
146.46515	1.0
149.02429	10.7
151.00375	25.1
152.01164	6.0
153.01952	9.7
158.03569	1.0
159.04440	1.4
160.01680	1.3
163.00345	2.0
165.01915	13.5
169.06593	1.5
172.05336	1.5
173.04637	1.5
173.06093	4.8
175.03998	1.2
176.01187	1.2
177.05547	1.5
178.99834	12.5
179.03513	5.3
180.00609	2.0
181.06526	2.0
191.05554	8.6
196.05397	1.5
197.06110	1.2
199.07625	1.4
201.05566	3.8
213.05600	1.4
215.07219	5.0
225.05577	4.3
241.05048	4.1
243.06622	6.9
259.06100	77.2
260.06488	5.4
261.72897	0.9
269.04538	77.0
270.04938	3.8
283.06039	1.1
287.05585	55.9
288.05991	2.5
311.05630	2.1
342.05786	1.9
367.10190	1.4
374.05951	1.6
378.51651	1.0
389.08432	4.6
421.11273	1.9
431.09921	3.2
449.10876	73.5
450.11270	5.9
473.31586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03437	0.3
59.01377	5.6
60.47651	0.3
61.98832	3.5
63.02402	1.4
65.00320	9.1
71.01383	1.4
73.02949	0.3
76.77528	0.3
78.42101	0.3
83.01383	4.3
85.02927	0.4
87.00868	0.7
89.02453	1.7
93.03471	0.4
97.09785	0.3
101.02454	0.9
107.01387	16.4
108.02184	1.0
109.02968	2.4
113.02444	0.6
119.03474	0.4
123.80157	0.3
125.02456	3.7
132.02133	0.5
133.02989	0.3
134.03787	0.8
135.04523	67.9
136.01671	0.9
136.04860	2.1
151.00368	100.0
152.00716	3.4
159.04613	0.3
160.01656	1.1
161.02419	1.5
161.04524	0.5
161.74512	0.3
164.01163	1.2
165.01854	0.8
169.01367	1.5
175.04010	0.9
176.04385	0.7
177.01886	1.0
177.04474	0.5
191.05632	0.9
192.00653	2.5
193.01012	1.5
194.01160	1.5
201.01955	0.4
207.02982	1.3
208.03362	0.7
208.68015	0.4
209.03564	0.6
230.99289	0.4
250.93216	0.4
255.03064	0.5
257.03503	0.6
269.04495	0.7
269.13968	0.9
271.02457	0.5
272.02969	0.8
273.03064	0.9
287.05603	71.0
288.05975	4.4
290.71243	0.3
297.09808	1.0
300.02783	0.6
301.03131	1.7
302.03378	2.2
303.04132	1.6
389.21536	1.6
444.87332	0.4
449.10696	28.4
449.20993	0.9
450.11105	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67656	1.8
57.03454	2.8
57.43430	1.6
58.88232	1.8
59.01379	100.0
61.95051	1.5
69.35859	9.7
71.01382	18.7
79.63850	1.7
85.02967	2.8
89.02442	16.2
99.04514	11.0
101.02449	8.7
113.02468	6.1
119.03532	3.9
127.11000	2.2
128.35149	1.6
165.12872	4.2
168.61667	1.8
197.09827	1.7
207.13884	12.0
208.96246	1.6
209.10045	3.1
209.11838	35.1
210.12090	2.3
225.14987	5.0
251.12833	6.4
269.13947	84.7
270.14316	4.6
276.34875	2.0
292.59180	1.8
449.20282	55.0
450.20645	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61966	0.9
57.03437	1.1
59.01379	100.0
61.98831	21.3
69.25405	2.9
69.25806	2.0
71.01378	26.4
73.02945	5.9
76.44057	0.8
83.01382	3.6
85.02956	11.0
87.00858	2.4
89.02448	8.4
95.01386	3.1
99.00867	2.2
101.02444	13.7
107.01402	2.2
107.08695	1.6
108.02203	6.3
109.02962	14.9
113.02457	9.5
119.03482	3.7
123.00876	2.6
125.02464	4.4
135.04504	5.5
139.90277	1.0
141.09232	1.8
143.03447	1.2
151.00360	8.9
151.07620	3.1
153.00781	1.1
159.03004	2.3
161.04555	22.4
163.00363	1.0
169.01331	3.4
173.04527	0.9
175.04028	1.3
177.05605	1.1
178.99722	1.2
179.05600	2.2
191.05620	7.4
195.06578	1.6
199.13303	1.1
209.11565	1.3
227.16525	1.9
229.14435	0.9
255.02930	2.5
257.03583	2.6
269.13763	2.1
271.02420	1.9
272.02786	3.0
273.03036	5.3
285.04083	4.4
286.04358	4.3
287.04675	9.7
300.02728	3.4
301.03018	6.0
302.03366	12.0
303.04016	6.8
339.04868	1.1
371.20563	1.6
389.21771	28.2
390.22110	2.0
449.09686	19.2
449.15042	1.7
449.24219	6.1
449.29831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61966	0.9
57.03437	1.1
59.01379	100.0
61.98831	21.3
69.25405	2.9
69.25806	2.0
71.01378	26.4
73.02945	5.9
76.44057	0.8
83.01382	3.6
85.02956	11.0
87.00858	2.4
89.02448	8.4
95.01386	3.1
99.00867	2.2
101.02444	13.7
107.01402	2.2
107.08695	1.6
108.02203	6.3
109.02962	14.9
113.02457	9.5
119.03482	3.7
123.00876	2.6
125.02464	4.4
135.04504	5.5
139.90277	1.0
141.09232	1.8
143.03447	1.2
151.00360	8.9
151.07620	3.1
153.00781	1.1
159.03004	2.3
161.04555	22.4
163.00363	1.0
169.01331	3.4
173.04527	0.9
175.04028	1.3
177.05605	1.1
178.99722	1.2
179.05600	2.2
191.05620	7.4
195.06578	1.6
199.13303	1.1
209.11565	1.3
227.16525	1.9
229.14435	0.9
255.02930	2.5
257.03583	2.6
269.13763	2.1
271.02420	1.9
272.02786	3.0
273.03036	5.3
285.04083	4.4
286.04358	4.3
287.04675	9.7
300.02728	3.4
301.03018	6.0
302.03366	12.0
303.04016	6.8
339.04868	1.1
371.20563	1.6
389.21771	28.2
390.22110	2.0
449.09686	19.2
449.15042	1.7
449.24219	6.1
449.29831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01870	1.0
57.03439	0.9
59.01376	12.7
61.98820	1.6
63.89368	0.5
64.51503	0.5
67.01907	0.5
67.02449	0.5
69.18770	2.8
69.63610	0.4
71.01382	7.7
72.99298	0.7
73.02934	2.9
78.08762	0.5
83.01382	2.1
85.02938	4.7
87.00874	1.4
89.02468	2.8
93.03458	1.1
95.01362	0.9
97.42682	0.5
99.00867	0.8
101.02446	5.4
105.58367	0.6
111.00896	0.8
113.02416	3.0
119.03433	0.6
125.02401	0.5
134.50891	0.5
141.12805	0.6
159.03317	0.5
173.04553	1.0
191.05589	2.5
211.75681	0.6
269.21201	3.3
271.02826	0.6
285.20587	1.1
287.22253	27.1
288.22623	1.6
299.22354	0.5
300.02783	0.7
301.03314	1.2
302.03320	1.0
329.23376	0.7
390.89081	0.5
405.25018	1.7
415.48322	0.5
431.26343	1.4
449.27521	100.0
450.27948	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22641	0.3
52.03489	0.3
54.16043	0.3
57.03471	0.5
59.01380	21.9
60.01704	1.8
61.98829	100.0
63.21948	0.3
65.00336	0.5
66.00659	0.3
71.01383	7.1
72.01727	0.9
72.66814	0.3
72.89676	0.4
73.02958	1.7
74.73051	0.3
83.01385	1.1
85.02954	3.0
86.03292	0.5
89.02431	1.9
95.01413	0.7
99.00904	0.7
101.02438	3.6
102.02800	0.9
107.01410	1.0
109.02934	1.6
113.02461	2.6
114.02771	0.8
119.03472	0.6
121.93538	0.3
123.04578	0.6
125.02443	0.8
129.60843	0.3
135.04526	2.7
136.04877	1.5
139.35649	0.4
143.03500	0.5
151.00371	3.5
152.00723	2.2
153.01971	0.7
159.03040	0.5
161.02470	0.5
161.04552	5.7
162.04869	2.1
169.01421	0.9
177.01926	0.9
179.05591	0.4
189.01962	1.3
190.02696	0.4
191.05681	0.3
192.00766	0.4
203.10704	0.5
205.12361	0.9
217.01495	0.5
219.02974	0.5
243.09973	0.7
271.09552	6.2
286.04425	1.3
287.05457	2.4
287.12589	0.6
288.05945	3.1
302.03616	0.3
303.03705	0.7
304.04465	0.4
341.06592	1.7
384.49390	0.3
389.22037	1.2
390.22168	8.2
391.23117	1.6
450.10617	3.2
450.22159	1.7
451.10345	0.6
451.15872	2.8
451.25763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
59.22396	0.2
69.28206	1.1
79.95741	2.4
85.02956	0.7
93.57283	0.2
95.58752	0.2
96.96008	100.0
123.38451	0.2
125.02338	0.3
127.04027	0.3
133.02956	0.4
153.85349	0.3
161.02454	0.5
170.44951	0.3
191.05602	19.2
192.06015	0.4
199.18292	0.3
200.49319	0.3
260.97028	0.6
353.08774	3.0
451.05698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87468	0.3
59.01368	0.9
71.01379	0.8
78.29755	0.3
79.95738	2.2
85.02958	1.3
93.03455	0.8
95.01404	0.3
96.96009	100.0
101.02424	0.4
109.02955	1.2
123.00899	0.7
125.02445	0.8
139.00374	0.4
142.96654	0.8
145.02875	0.4
161.02492	0.6
166.58475	0.3
169.01427	0.9
174.07176	0.3
184.97691	2.1
191.05605	12.7
201.02020	0.4
202.98782	1.8
210.99268	0.8
216.98219	2.3
229.01250	0.4
234.99269	2.2
246.53502	0.3
248.97122	0.5
259.09866	0.3
275.02103	1.2
277.00290	0.5
279.08636	0.3
285.00684	0.8
286.98788	0.3
289.02390	4.2
299.27618	0.3
299.99207	0.5
300.99808	2.0
349.26553	0.3
353.08792	2.2
371.00858	0.4
391.03433	0.9
409.04416	1.2
451.05743	6.6
451.12027	0.6
451.21872	0.5
452.03235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10014	0.6
59.01374	10.9
59.41737	0.6
61.98807	2.3
63.19200	0.5
69.03442	1.2
69.70174	0.5
71.01381	10.0
73.02935	2.7
79.01884	1.1
81.03445	0.9
82.95443	0.8
83.01370	2.3
85.02937	3.9
87.00852	0.8
89.02434	4.8
92.02705	1.3
93.03458	36.9
94.03795	1.0
95.01387	2.2
96.96004	0.8
97.02929	1.6
99.00871	0.7
101.02441	5.7
107.01405	5.9
107.05007	1.0
108.02176	1.8
108.58720	0.6
109.02937	1.3
111.00874	1.4
113.02460	4.2
119.03506	1.4
121.02931	0.9
123.00880	15.0
124.01676	6.2
125.02442	42.3
126.02766	0.9
136.01677	6.6
137.02443	69.3
138.02777	1.7
139.00330	2.1
140.01183	1.0
141.01912	2.5
143.03485	1.2
144.21892	0.7
149.02408	0.8
151.00354	8.4
151.03992	3.5
153.01920	1.9
161.04515	1.8
165.01941	1.1
167.03470	1.0
168.00635	2.8
169.01422	59.1
170.01726	1.7
179.03487	21.8
183.02989	0.8
183.09225	0.6
191.05652	0.8
192.00613	3.6
193.01453	1.3
194.05074	0.6
207.02919	1.8
209.04555	2.1
211.02440	5.5
228.29172	0.6
239.05585	10.7
241.03506	1.2
253.03458	1.1
271.04623	1.4
271.15118	0.8
285.00290	2.1
299.07629	4.2
305.16049	3.1
313.05646	37.6
314.05902	1.5
327.07300	1.3
407.09641	4.3
408.10211	0.9
450.99899	4.4
451.08749	100.0
451.20856	3.7
452.03195	0.7
452.08936	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40147	0.1
55.01864	0.1
58.02979	0.2
59.01378	0.6
61.52055	0.1
61.98827	1.5
69.03470	0.3
69.36686	0.2
69.37072	0.2
71.01379	0.6
73.02942	0.2
75.00894	0.1
80.05061	0.2
81.03453	7.2
82.06618	0.4
83.01402	0.4
83.05021	20.6
84.05366	0.1
85.02940	0.4
87.67663	0.1
88.13120	0.1
88.21317	0.1
88.98812	0.2
89.02447	0.2
93.03445	0.9
95.01369	0.2
96.25301	0.1
97.02944	0.2
100.07677	0.3
101.02440	0.4
107.01415	0.1
107.06148	0.7
108.02176	1.2
108.04547	0.6
109.02954	1.4
113.02457	0.3
119.05083	0.1
121.02929	0.2
123.00867	1.0
123.04507	0.2
124.01659	2.3
125.02442	4.5
125.07207	2.6
126.05624	0.4
135.80084	0.1
137.01422	0.2
137.02435	2.6
138.03191	0.3
139.00410	0.1
139.04031	0.1
143.08243	1.4
147.04449	0.1
149.02399	0.1
149.99576	4.0
151.00261	0.3
151.03923	0.2
153.05585	0.2
157.13452	0.1
161.02361	0.1
161.04530	0.1
168.00632	8.0
169.01414	0.7
177.01883	0.3
182.02156	0.3
183.02960	0.2
189.01950	0.8
190.02698	0.2
191.03432	0.2
193.01430	0.1
197.04520	0.5
203.03392	0.2
207.15018	2.9
208.13379	0.2
216.00529	0.1
217.01367	0.5
219.02881	0.2
224.17665	4.2
225.16068	11.8
226.16475	0.1
231.02966	0.1
242.18729	1.4
250.15575	0.3
268.16611	0.2
281.06757	0.5
283.26178	0.1
290.22327	0.3
292.20224	0.1
306.21805	0.1
307.23761	0.2
308.23175	0.1
309.21771	0.5
313.05475	0.4
324.23050	0.1
324.26556	1.7
326.06311	0.1
327.07205	0.2
331.06665	1.1
332.06882	0.1
333.22946	4.2
339.27411	0.2
341.05777	1.1
341.29337	0.1
351.24084	1.2
367.23178	0.1
367.27182	1.2
385.27908	0.1
406.30478	0.1
433.07352	0.3
433.31781	5.7
434.31711	0.1
451.08472	11.1
451.32843	100.0
452.08798	1.0
452.33221	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72868	0.5
57.45459	0.5
59.01397	0.8
61.98847	0.8
70.83158	0.5
76.65197	0.5
82.20499	0.6
91.01950	0.5
91.28033	0.7
95.05020	0.6
98.16451	0.6
98.21897	2.3
108.02210	0.7
109.02950	23.5
119.05061	0.6
121.02944	0.7
123.04532	10.2
123.05354	0.7
123.34809	0.5
132.67165	0.5
133.02959	3.2
135.04488	0.5
137.02455	0.9
145.02991	1.2
146.03673	0.6
146.63422	0.6
147.04536	3.2
147.13905	0.6
150.03323	1.0
151.03998	5.5
159.04478	1.3
161.02444	5.5
162.03256	2.8
163.03996	1.7
170.58528	0.5
175.04060	0.7
175.90346	0.6
176.01204	1.0
177.01923	25.0
177.03484	1.3
178.02312	0.6
187.04027	1.6
187.20651	0.5
188.04796	1.2
189.01927	41.8
190.02658	12.7
191.03470	8.4
203.03549	4.6
213.05600	0.7
216.00615	7.1
217.01410	27.7
218.01985	2.7
219.02965	11.0
219.04962	0.9
229.08842	0.9
229.57298	0.9
231.02983	8.2
232.03590	0.8
233.04497	0.6
281.04654	4.3
282.05261	0.9
287.05618	1.1
289.07095	2.2
297.07629	1.8
299.05579	5.8
323.05734	1.5
341.06631	100.0
342.06958	7.0
394.33276	0.7
451.10284	27.0
452.10715	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	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98828	2.1
66.30072	0.3
68.69019	0.4
71.01341	1.1
72.06630	0.3
85.02916	0.7
87.00784	0.4
89.02422	0.6
89.03954	0.5
91.01896	0.5
91.44574	0.3
92.11283	0.4
93.03406	0.4
95.04991	1.2
101.02404	0.9
108.02181	1.8
109.02953	25.0
110.03294	0.8
117.03426	0.6
119.04973	0.6
121.02919	0.5
122.03760	0.4
123.04520	9.9
125.02383	0.5
133.02963	3.1
135.00842	0.4
145.02933	1.9
146.03596	0.4
147.04512	3.6
149.02428	0.6
150.03198	1.0
151.02876	0.4
151.04013	5.8
153.09183	1.2
159.04471	1.5
161.01268	0.5
161.02461	5.9
161.04515	0.4
162.03233	0.4
163.03987	0.5
175.03894	0.9
176.01089	0.9
177.01927	20.1
178.02254	0.6
179.05655	0.5
179.07066	0.5
187.03958	1.3
189.01933	42.7
190.02689	10.1
191.01900	0.6
191.03514	9.5
192.03818	0.5
198.40060	0.4
201.01865	0.6
203.03503	4.9
204.03769	0.6
216.00623	6.8
217.01413	31.1
218.02008	2.8
219.02983	13.6
224.76456	0.4
231.02965	10.5
232.03661	1.2
233.04457	0.6
243.06284	0.4
271.09433	1.6
271.52777	0.4
281.04602	0.7
287.05585	0.4
289.07016	1.7
292.87115	0.4
323.05588	1.3
327.05014	0.6
341.06638	100.0
342.07016	7.3
391.23129	0.5
451.10373	26.2
451.16010	2.8
452.10675	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64809	0.3
57.49423	0.3
59.01376	5.6
61.98830	7.1
69.34015	1.7
71.01366	1.3
77.24989	0.4
81.03458	0.8
83.01404	0.4
85.02938	0.5
89.02438	0.8
93.03469	0.7
95.05029	0.6
97.02958	0.4
98.21873	0.6
101.02429	1.0
103.05545	0.6
105.03441	0.6
107.01407	0.4
108.02181	1.1
109.02950	24.2
109.49175	0.3
110.03302	1.0
113.02470	0.4
117.03471	0.8
119.05028	0.7
121.02940	0.5
123.00877	0.7
123.04521	12.0
124.01656	0.5
124.04877	0.7
125.02454	2.4
133.02953	4.7
137.02496	0.7
145.03000	1.8
147.04526	3.5
149.02444	0.7
150.03185	1.0
151.04010	5.8
153.72690	0.3
159.04526	1.1
161.02451	6.4
161.04529	1.0
162.03156	0.6
163.00418	0.4
163.04028	0.8
169.01422	1.9
176.01106	0.4
177.01926	24.9
178.02347	0.7
181.06293	0.3
183.03072	0.5
187.04033	1.0
189.01930	53.0
190.02682	11.5
191.03490	10.6
192.03831	0.5
201.01906	0.4
203.03477	5.6
210.39328	0.4
213.05553	0.3
216.00638	6.7
217.01418	32.0
218.01985	3.3
219.02977	13.3
220.03337	0.4
229.01471	0.4
231.02983	10.6
232.03563	1.1
233.04565	1.2
271.09421	0.8
275.02039	0.4
281.04547	0.8
287.05634	0.5
289.07071	2.1
289.20016	0.4
299.05521	1.9
300.99963	0.7
323.05655	1.6
341.06635	100.0
342.06973	7.0
391.23328	1.5
451.10349	30.5
451.25433	1.5
452.10587	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	451.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
59.01381	11.6
61.98831	3.7
67.01875	1.2
68.99787	0.6
69.03458	1.3
69.21485	0.5
71.01376	8.7
72.99316	0.6
73.02940	2.2
73.24373	0.5
78.01100	0.6
79.01888	1.4
81.03485	0.6
83.01385	1.7
85.02952	3.3
87.00887	0.7
89.02451	3.9
93.03459	6.0
95.01384	4.0
96.96032	1.4
97.02956	1.9
101.02438	6.6
107.01392	6.2
108.02180	3.8
109.02943	5.0
111.00893	2.4
113.02466	3.2
119.03458	0.7
119.05008	2.9
123.00883	21.3
123.04488	0.7
124.01671	17.6
125.02444	29.9
126.02807	0.6
127.00429	0.7
133.02997	0.5
135.04529	0.9
136.01663	1.3
136.98843	1.4
137.02441	10.8
137.06076	1.5
139.00397	4.2
140.01122	3.1
141.01924	3.8
143.03476	0.5
148.13028	0.5
149.04631	0.5
151.00372	14.7
151.03996	1.1
152.00342	0.4
152.01169	4.6
153.01952	5.8
156.81270	0.5
159.06712	0.5
161.04552	1.6
163.04022	1.2
165.01982	0.6
166.99789	0.6
167.03525	0.6
168.00624	6.4
169.01418	37.6
170.01814	0.5
179.03513	4.1
192.00674	1.3
193.01360	0.8
207.03021	0.8
211.02481	7.8
231.71512	0.5
239.05553	2.1
241.03482	0.5
245.00844	0.9
253.03459	0.6
271.04584	4.1
273.00345	1.0
297.06042	1.0
298.08395	0.9
299.07730	0.9
300.99887	1.2
305.16016	3.8
313.05621	7.2
313.11023	0.8
315.07202	1.2
361.12991	0.8
373.12857	0.6
407.10001	1.2
425.61768	0.5
446.75479	0.5
451.12936	100.0
451.22333	2.8
452.13324	9.4
453.42911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03432	0.8
59.01369	3.0
61.98818	1.1
64.87158	0.7
67.01878	0.9
69.44007	3.8
71.01377	12.7
73.02943	3.5
81.03440	2.5
83.01389	4.2
85.02948	6.8
86.00787	0.9
87.00885	1.0
89.78233	0.9
93.03458	1.7
95.01387	3.4
96.99344	1.2
97.02949	1.8
99.00875	2.0
101.02451	6.4
105.35725	0.8
107.01377	2.5
108.02173	70.8
109.02959	59.0
110.03300	1.7
111.00857	4.1
112.98859	0.8
113.02446	6.0
121.02953	9.6
122.00101	1.2
123.00875	16.6
123.04536	1.6
124.01682	4.3
125.02429	4.5
127.00346	4.2
136.98827	3.0
137.02448	15.1
137.99646	1.2
138.03227	21.7
139.00374	3.9
139.04005	4.5
141.01967	2.6
149.50862	0.9
149.99609	1.9
151.04034	0.8
153.01889	1.2
153.05576	10.8
154.02724	2.0
155.03468	2.5
161.04555	0.9
166.02773	0.8
166.76282	0.7
166.99861	4.7
168.00648	7.9
169.01451	2.3
177.02011	0.8
181.01434	8.2
182.02194	21.4
182.03705	1.5
183.02974	22.3
184.03476	1.1
196.03799	1.5
197.04547	32.1
197.06357	1.7
198.04828	0.9
225.04158	1.9
239.05504	1.4
296.05347	1.4
311.04477	1.6
311.07840	3.9
312.04883	1.6
326.06345	5.9
327.07129	11.1
336.73752	1.0
341.08768	51.5
342.09229	2.9
375.80875	0.9
405.98969	0.8
436.10175	3.9
451.12567	100.0
452.12814	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	451.1593
Annotation	Davisioside
Peak:m/z	Relative Intensity
56.99549	2.1
57.03454	1.7
59.01379	40.5
61.98823	17.6
65.23361	1.3
69.03477	1.8
71.01382	20.3
73.02943	5.2
75.00850	1.5
76.45634	1.2
79.26648	1.3
80.91679	12.1
81.03458	3.4
83.01170	1.6
83.01372	1.5
85.02934	9.2
86.00117	2.5
87.00881	8.1
89.02460	5.0
93.03466	2.1
95.01374	4.7
97.02976	3.0
98.22718	2.1
99.00807	1.8
101.02431	8.6
102.98586	2.4
105.07138	2.0
106.04217	2.1
108.02171	19.9
109.02956	100.0
110.03296	2.9
111.04527	2.3
113.02477	8.8
113.06139	1.6
117.03548	1.4
119.03545	1.7
119.05041	1.8
120.99667	1.8
123.00874	3.8
123.04514	8.9
125.02390	4.7
131.07166	1.5
133.02994	1.8
135.08153	10.0
137.02444	3.1
141.01717	3.3
143.03674	1.4
147.04544	2.9
148.75877	1.8
151.03954	5.8
153.05341	2.6
153.09216	26.4
157.10280	2.1
161.02443	4.6
161.04546	5.2
161.05965	2.4
161.09644	2.4
167.10799	8.8
169.01360	2.0
177.01917	17.1
179.07161	3.4
189.01949	32.1
190.02664	7.0
191.03563	7.1
191.05231	1.3
197.08189	4.0
201.09531	3.8
203.03561	4.2
203.10776	6.9
205.12349	3.2
211.02388	1.9
215.10515	3.7
216.00658	4.8
217.01422	23.4
218.02220	1.9
219.02959	8.7
223.13387	6.1
229.08371	2.6
229.13110	1.4
231.03004	5.9
232.03558	2.2
243.10014	24.7
245.11436	1.6
249.06149	4.0
257.07922	2.5
271.09521	71.2
272.09875	4.3
282.97827	1.3
287.08997	6.8
287.12625	8.2
289.07034	1.9
289.10529	2.1
297.13492	2.8
300.99698	1.9
341.06662	61.3
342.06985	5.4
391.23196	1.5
407.16837	12.0
450.99585	14.8
451.10074	18.5
451.15930	78.8
452.16342	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03449	0.8
59.01376	10.0
61.98829	14.6
68.99805	0.8
69.03447	2.0
69.89847	1.6
71.01376	8.1
73.02938	2.1
79.01854	0.6
79.05511	1.0
80.91673	2.3
81.03456	1.6
83.01376	1.5
83.05029	1.4
85.02940	6.2
89.02441	1.4
93.03443	2.4
95.01372	2.9
97.02966	2.9
99.00876	1.1
101.02448	5.4
107.01390	1.3
107.05042	0.7
108.02172	23.7
109.02950	100.0
110.03300	2.0
113.02453	4.4
121.02953	0.7
123.00863	3.4
123.04513	1.4
125.02441	5.5
133.02937	0.6
135.04521	2.4
135.08156	1.4
137.02422	6.7
138.05721	0.5
145.02954	0.7
147.04512	0.6
150.99306	0.6
151.00363	3.1
151.03995	2.0
153.09206	26.9
154.09546	0.9
159.03015	0.9
159.04572	0.8
161.02466	1.0
161.04559	5.5
161.05923	1.0
169.01439	3.1
177.01944	0.9
179.03510	1.6
179.07133	1.4
191.03683	0.6
197.08163	1.1
197.38129	0.6
203.07114	0.8
214.09355	0.5
217.01309	0.7
221.08107	0.8
242.05762	2.6
243.06593	1.8
263.09213	0.7
269.08163	0.7
289.07278	1.0
292.50580	0.5
297.06158	1.1
297.13440	1.5
300.99701	0.8
320.90219	0.5
333.19305	0.7
341.06540	1.6
373.22586	0.8
391.23557	0.9
405.11975	3.0
450.99326	0.9
451.09192	1.3
451.16003	10.1
451.21713	0.4
452.16724	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	451.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03452	0.4
59.01375	6.6
61.98826	1.1
69.03452	0.4
69.38080	1.3
71.01381	4.9
73.02944	1.9
81.03458	1.1
83.01381	0.8
85.02940	4.8
87.00879	0.5
88.87966	0.3
89.02448	1.0
93.03459	0.3
95.01379	1.7
97.02949	0.4
99.00903	0.4
101.02447	3.3
103.04021	0.4
107.08674	0.7
107.41847	0.3
108.02172	21.9
109.02949	100.0
109.10219	0.8
110.03286	2.5
113.02456	2.5
119.03478	0.5
123.00885	1.5
125.02425	0.7
135.04517	0.4
135.08101	1.4
137.02467	0.6
143.03516	0.6
143.10777	6.8
151.04012	1.2
153.09204	22.1
154.09544	0.6
161.04585	3.4
161.05904	0.5
162.04973	0.3
168.00658	0.5
168.10265	0.3
177.09203	0.6
193.05034	0.5
197.08299	0.4
218.99240	0.3
221.08167	0.7
267.99411	0.3
271.08194	0.7
285.00403	0.6
297.13422	2.6
407.16776	0.4
450.99390	1.0
451.09805	0.6
451.16034	16.6
452.16476	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	451.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80783	2.7
59.01364	15.8
61.98833	14.5
71.01391	19.8
73.02937	4.9
83.01349	3.5
83.48572	2.4
83.56660	2.8
85.02945	9.2
95.01389	2.9
97.40131	2.5
99.00909	4.1
101.02428	11.8
108.02174	34.3
109.02950	100.0
110.03294	4.1
112.16143	2.5
113.02457	8.5
118.91917	2.6
121.14011	2.9
122.06122	6.0
123.04494	3.4
123.08195	3.7
124.01580	3.1
125.02418	2.9
138.05554	4.5
141.19998	2.7
153.09232	4.2
161.04515	13.8
177.01913	9.1
180.93933	2.8
189.01909	9.9
197.11832	69.7
217.01318	6.7
219.02907	5.3
228.11227	2.7
231.02943	4.2
269.12900	14.8
285.00449	3.2
341.06647	22.9
450.99380	4.7
451.10172	12.5
451.20703	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	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41333	10.6
52.26822	10.0
57.03402	9.8
59.01368	28.1
61.50099	11.3
61.65306	12.9
61.98824	89.2
71.01376	27.9
71.45776	12.5
80.91682	24.2
85.02962	13.7
101.02441	25.7
108.02104	15.7
109.02962	100.0
113.02479	13.0
129.85368	11.1
136.07692	13.6
161.04594	18.6
177.01793	16.5
189.01849	31.4
190.02682	12.7
193.01503	13.7
197.11795	59.1
216.00713	18.9
217.01498	14.9
253.04961	15.6
309.19998	11.9
341.06491	51.9
418.99030	12.2
450.99387	28.5
451.09964	24.6
451.20999	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	0.3
58.66084	0.1
59.01382	0.5
61.98830	1.1
63.78338	0.1
65.32761	0.1
69.03470	0.2
69.11327	0.2
69.11739	0.3
70.02966	0.1
71.01381	0.6
72.04559	0.2
73.02954	0.2
79.01927	0.1
80.05065	0.3
81.03456	7.5
82.06618	0.5
83.01380	0.1
83.05025	22.1
83.69653	0.1
84.04572	0.1
84.05370	0.4
85.02947	0.3
88.98786	0.1
89.02415	0.1
93.03442	0.8
95.01389	0.3
97.02938	0.2
98.22591	0.2
100.07678	0.2
101.02452	0.4
107.01402	0.2
107.06161	0.6
108.02169	1.6
108.04552	0.9
109.02956	1.7
110.79628	0.1
111.00869	0.1
113.02419	0.2
121.02965	0.3
123.00898	1.0
123.04523	0.2
124.01661	1.9
125.02449	3.8
125.07212	2.5
126.02732	0.1
126.05589	0.4
127.00333	0.1
133.02939	0.1
137.02452	1.9
138.03183	0.3
139.00383	0.1
139.04013	0.1
143.08276	1.4
149.99593	3.3
151.00302	0.3
151.03958	0.2
153.05568	0.2
166.12317	0.1
166.99918	0.1
167.03476	0.2
168.00647	6.1
169.01373	0.6
177.01901	0.3
181.01337	0.3
182.02222	0.4
183.03026	0.5
189.01897	0.8
190.02591	0.1
197.04532	0.7
203.03362	0.1
207.15034	2.8
208.13336	0.2
208.15219	0.2
217.01501	0.6
219.02901	0.1
224.17682	3.8
225.16075	11.8
226.16434	0.6
239.05563	0.1
242.16476	0.1
242.18730	1.6
250.15425	0.4
268.16495	0.2
281.06378	0.3
290.22137	0.3
306.21838	0.1
307.23697	0.3
309.21683	0.4
311.07407	0.1
313.05359	0.3
324.26532	1.8
325.26459	0.1
326.06168	0.1
327.07098	0.1
331.06625	0.8
333.22961	4.0
334.23303	0.2
339.27380	0.3
341.05624	1.0
341.08557	0.5
341.28812	0.1
351.24039	1.1
367.27127	1.3
385.28040	0.2
406.30768	0.1
433.07108	0.2
433.31821	6.1
434.32251	0.6
451.08206	8.1
451.32864	100.0
452.08456	0.7
452.33182	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	452.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
71.01370	0.8
71.44109	0.8
72.00903	8.9
83.17714	0.7
89.02431	1.1
93.03467	6.1
95.01399	1.7
106.04266	1.2
108.02219	1.3
111.00890	1.0
119.05024	16.0
123.00903	4.7
123.82239	0.7
124.01617	1.3
125.02436	2.6
136.07719	0.9
142.91518	0.8
163.04008	22.6
164.04358	0.9
168.64090	0.8
169.01404	1.8
180.06660	100.0
181.06953	4.1
182.99782	0.7
184.97661	1.1
190.02881	0.7
191.03514	1.6
191.05586	1.2
201.01981	1.0
203.99193	0.8
210.65672	0.7
216.98152	0.8
217.01483	1.0
217.98436	0.8
224.08737	0.8
229.01392	1.9
245.00917	1.4
247.02501	3.9
257.00821	1.1
273.00403	2.2
274.01093	1.1
275.02023	2.7
278.31873	0.7
289.02472	1.8
290.02512	1.0
300.99823	4.7
321.37686	0.9
376.02783	1.0
390.02301	0.9
390.52716	1.2
391.03177	4.6
452.05682	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	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98829	100.0
63.99270	0.4
64.60095	0.3
70.97230	0.5
71.01394	1.0
76.61777	0.3
83.01392	0.4
89.24191	0.3
95.01398	0.5
101.02445	0.7
104.05076	1.2
107.01416	0.3
108.29285	0.3
109.02958	1.6
122.06109	0.6
123.00896	1.3
123.04561	0.5
124.01665	1.4
125.02449	5.7
145.03023	0.5
148.04007	2.6
151.04057	0.4
152.07173	1.0
153.01990	0.4
161.02412	0.4
168.00705	0.4
169.01488	0.9
177.01961	0.9
189.01891	1.5
190.02437	1.0
217.01410	1.3
218.01845	0.8
220.03094	0.5
229.01389	0.4
247.02728	0.5
271.09592	1.2
272.09845	2.7
274.38055	0.3
275.01932	0.6
288.13156	0.5
300.99890	1.7
313.12006	0.7
338.84094	0.3
341.06564	1.2
342.06949	3.2
357.10916	3.4
376.03952	0.7
389.25552	0.6
391.03171	0.7
392.23859	0.5
452.04797	0.4
452.10684	1.2
452.16510	1.5
453.17682	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.9
55.54082	1.6
55.99854	1.6
57.03435	2.0
58.82033	1.8
59.01379	22.4
60.80252	2.0
61.98826	7.4
66.60956	1.9
67.15272	1.8
69.31806	8.7
71.01389	18.9
72.80460	1.8
73.02938	8.8
79.10383	2.0
83.01398	7.3
84.49222	2.0
85.02959	11.7
89.02420	2.4
91.97628	1.8
99.00932	3.5
101.02444	27.4
108.02180	2.8
109.02965	6.6
113.02414	10.4
117.03471	11.0
119.05006	5.3
119.16541	1.8
125.02455	3.3
145.02948	55.5
161.04575	9.5
163.04004	2.1
218.05211	2.0
263.15002	53.8
264.15338	3.8
298.21024	1.8
307.08218	4.4
328.60843	1.8
341.06653	2.3
342.07025	4.1
409.20779	100.0
410.21112	7.8
417.11893	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
69.64287	0.7
69.64665	0.6
69.86924	0.3
78.95902	17.6
89.00226	0.3
91.98132	0.3
98.21918	0.6
101.29292	0.4
122.00156	0.7
140.01175	5.4
152.99577	1.3
190.79343	0.3
196.03790	9.1
214.04791	2.0
255.23283	100.0
256.23627	5.3
295.27570	0.3
449.99948	0.3
452.27786	28.8
453.28143	2.3
469.79907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92787	1.0
59.01354	0.9
65.85428	1.0
67.01911	1.2
69.73314	2.5
81.03452	1.2
94.35863	1.0
95.01392	13.1
96.96012	32.8
98.22598	1.7
98.94935	1.7
98.95597	32.9
98.96437	4.8
99.92587	16.5
100.93360	22.2
101.93337	1.5
107.01414	2.4
111.00887	1.0
115.92070	24.8
116.92847	7.3
117.03427	1.1
122.99986	1.5
123.00874	26.1
124.01643	3.7
125.02448	19.2
133.02939	2.4
133.06210	0.9
134.03734	6.0
135.04527	10.7
137.02393	1.1
139.00427	1.3
145.02939	3.4
147.04526	3.1
151.00339	0.9
159.04500	1.1
160.01657	1.0
161.02435	2.3
163.04005	1.1
165.01889	1.1
168.00691	1.5
169.01402	12.2
172.01634	1.2
173.02452	2.7
174.03142	1.6
174.98544	1.1
175.04019	4.6
177.01909	1.4
179.03525	7.7
183.03096	1.1
185.02405	1.5
189.01880	2.4
190.02719	2.8
191.03506	3.4
191.05603	3.9
192.05917	1.7
193.06117	2.4
199.95648	1.3
200.01123	1.5
201.01909	5.5
202.02736	1.1
203.03522	12.7
210.96986	1.6
214.99812	1.2
215.95181	1.9
216.00655	1.9
216.95946	3.2
217.01413	5.8
217.96736	15.3
218.02330	1.5
218.97522	53.8
219.03011	1.9
219.94785	1.0
219.97693	3.9
221.96173	1.7
229.01451	6.1
230.02090	2.1
231.03001	3.1
234.97086	1.3
238.96555	0.9
244.95523	3.1
245.00928	4.6
246.01736	3.0
247.02458	16.5
248.03050	1.2
249.03995	2.3
257.00870	3.6
258.01611	1.8
259.31152	1.1
261.95636	2.0
262.96509	100.0
263.96689	7.6
273.00378	7.1
274.01102	1.1
275.01929	14.9
276.02277	1.4
291.01428	3.6
298.98190	1.7
299.99127	1.8
300.99899	28.7
302.00143	3.0
355.08899	1.0
362.02789	2.8
368.02548	1.8
368.53079	1.2
373.00131	11.7
376.02542	7.4
376.52408	2.0
381.01718	2.1
381.52176	2.2
382.02478	2.5
382.52689	1.5
390.02203	4.2
390.52655	9.4
391.01297	54.5
391.53342	7.7
392.01068	5.0
409.07651	4.9
435.00351	2.1
453.05820	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	453.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81090	1.3
59.01377	18.1
60.01747	1.6
61.98826	47.5
69.03468	3.2
71.01385	6.0
73.02975	3.6
75.00881	1.5
79.01905	2.1
81.03450	3.7
85.02953	3.4
87.00861	1.4
87.04517	1.5
93.03454	6.3
95.01381	8.4
97.02950	3.5
101.02434	4.5
107.01384	16.1
108.02193	2.1
109.02960	5.5
113.02457	3.2
123.00883	19.4
124.01649	6.8
125.02444	91.5
126.02789	3.6
135.04507	2.8
137.02446	8.4
140.01158	1.8
141.01877	2.7
145.02942	1.9
151.00339	2.4
161.02475	4.5
161.04564	2.0
161.09689	1.8
163.04001	2.0
166.99820	3.9
168.00664	1.8
169.01419	100.0
170.01755	7.0
179.03474	4.7
179.05592	1.5
181.42171	1.5
189.01933	1.8
191.03542	1.7
192.00722	3.2
193.01405	3.4
199.83739	1.6
217.05118	1.7
218.02173	3.1
219.02969	1.8
229.01411	2.8
231.03036	3.1
232.03210	3.0
239.74413	1.5
246.05452	2.1
247.02368	3.1
247.06149	12.6
257.00836	2.7
274.41968	1.5
275.01871	1.7
281.06680	2.2
285.12558	1.9
297.12479	1.8
301.00079	7.2
301.04419	1.7
333.10400	1.6
377.05032	11.1
377.55441	2.4
384.03998	3.0
389.25507	2.2
390.25684	1.8
390.52823	2.0
391.02960	5.6
391.53409	2.1
393.24973	7.8
453.05228	9.3
453.13657	19.0
453.55972	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	453.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74380	1.0
57.09697	0.8
73.00478	1.0
95.01386	12.6
96.95984	2.4
97.02952	0.9
98.95586	3.9
99.92608	2.3
100.93361	3.1
106.04214	1.1
107.01371	2.2
111.00846	1.3
115.92076	2.7
123.00887	34.5
124.01630	4.0
125.02436	17.7
135.04495	1.1
145.02954	3.8
147.04538	3.5
158.73891	0.9
159.04524	1.5
161.02431	3.9
163.00284	1.3
163.04036	2.5
166.99854	1.0
169.01418	8.4
173.02513	4.8
174.02985	1.0
175.03949	3.8
177.01869	1.6
179.03485	1.4
185.02486	2.3
187.03998	1.1
189.01884	4.5
190.02724	17.3
190.99861	0.9
191.03485	8.5
200.01254	1.3
201.01921	5.6
203.03505	6.8
215.55656	0.9
216.00427	1.0
217.01399	20.5
217.96707	1.4
218.02185	17.5
218.97488	5.2
219.02937	4.9
226.99918	1.0
229.01390	7.3
230.02083	2.4
231.02922	3.4
245.00803	4.6
246.01671	68.5
247.02449	100.0
248.02803	5.9
249.03889	1.7
257.00809	5.2
258.01672	2.3
259.02335	1.2
261.00394	1.0
262.96545	12.9
263.96701	1.5
273.00375	3.0
274.00949	1.7
275.01941	19.3
276.02234	2.1
283.99686	1.3
298.98184	1.4
299.99036	2.7
300.99878	37.3
302.00266	3.2
362.02637	4.9
362.52576	2.4
368.02884	2.7
376.02560	12.6
376.52609	1.8
381.01688	2.8
381.51929	3.9
382.02386	3.5
382.52606	1.2
390.02402	6.4
390.52676	14.4
391.03058	42.5
391.53180	13.1
392.03223	1.9
392.90073	1.0
409.07706	71.4
410.07932	4.5
453.06680	42.4
454.07181	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03446	3.2
58.00594	1.4
59.01083	0.8
59.01378	15.1
60.58335	0.5
61.98828	5.6
63.75340	0.5
69.03457	1.0
69.69351	2.4
71.01382	7.6
73.02953	4.3
79.95759	1.0
81.03449	1.2
83.01362	1.4
83.05000	1.4
85.02944	8.3
87.00910	0.7
87.04512	18.1
89.02431	1.2
95.01394	3.8
97.02417	0.5
97.02932	3.1
97.06561	0.8
99.00874	0.7
99.04509	2.0
101.02451	3.5
106.98095	0.6
108.02172	27.1
109.02948	67.9
109.06592	1.0
110.03285	2.6
111.04504	0.7
111.08128	1.3
113.02478	3.2
119.10369	0.5
121.06495	0.7
123.00880	4.9
124.01613	0.6
125.02437	4.0
125.06152	1.0
133.02991	0.7
133.45584	0.7
135.04510	0.8
135.08151	3.2
137.06071	0.7
137.09711	16.2
139.07629	2.6
139.11299	0.9
141.01938	6.5
145.02827	0.6
149.09682	0.8
151.11267	2.0
153.05528	0.9
155.10777	81.2
156.11075	2.1
160.01607	0.7
161.04544	1.3
163.11301	2.1
167.10735	2.0
169.01447	1.2
169.12317	3.4
175.11325	0.7
177.09196	1.5
179.10791	5.7
181.08693	7.5
181.12344	1.5
185.02516	0.7
191.10762	5.1
193.12148	0.7
195.10236	3.5
197.04567	0.9
199.05116	1.0
199.09752	40.2
199.13416	1.3
200.01102	0.6
200.10095	1.3
209.11913	0.8
213.01889	1.0
213.11310	2.3
223.09773	1.7
225.11343	1.5
226.99913	1.2
227.12865	1.4
229.01447	1.8
237.11270	1.2
241.10788	9.0
247.02452	0.7
253.10818	3.1
254.99495	1.4
255.12389	3.6
256.00128	0.6
257.00699	0.8
275.02039	1.2
282.98819	1.1
283.11902	13.5
283.99606	0.7
284.12097	1.3
285.00400	34.9
286.00739	1.9
300.99857	1.3
310.98364	6.2
315.44736	0.7
328.99701	0.7
343.13977	3.3
390.52069	0.8
391.03012	1.0
410.20587	1.0
453.00818	13.1
453.17657	100.0
454.00986	0.9
454.18036	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64323	1.2
55.01861	1.2
57.03434	1.4
58.00611	1.1
59.01381	10.7
71.01384	5.3
73.02950	3.4
85.02941	4.8
87.04518	11.9
97.02950	2.2
97.06604	1.3
101.02449	2.6
108.02174	17.5
109.02948	49.9
113.02438	2.1
115.03956	1.2
125.02411	2.1
137.09715	15.5
139.07607	1.9
146.17279	1.2
151.11139	1.7
155.10774	51.2
156.11147	1.6
163.07648	1.9
163.11281	2.4
169.01411	1.4
169.12335	3.1
179.10759	3.8
181.08698	5.4
190.85683	1.4
191.10779	3.0
195.10242	4.0
196.90610	1.3
199.09735	30.7
205.74619	1.2
213.11241	2.2
223.09821	2.8
241.10876	7.6
253.10628	1.9
255.12260	1.5
283.11877	14.7
343.13962	2.1
393.24506	1.6
453.17627	100.0
454.17993	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01377	29.1
61.98821	1.0
69.77367	0.9
69.77695	1.2
71.01382	14.8
73.02917	2.3
83.01360	1.3
85.02939	4.0
87.00885	0.7
89.01537	0.6
89.02445	10.7
95.01378	3.5
96.95973	1.8
97.02863	0.7
98.22557	0.9
99.00821	0.8
101.02432	9.0
104.66620	0.6
106.07864	0.6
107.01391	1.5
109.02931	1.5
111.00864	1.2
113.02435	4.7
118.18473	0.5
119.03484	3.5
123.00887	7.4
124.01614	0.8
125.02441	6.5
125.06027	0.7
130.42334	0.6
135.02983	0.6
137.02406	0.8
137.09689	2.8
145.02956	1.2
153.09264	0.8
155.10779	21.3
156.11055	0.8
161.02388	0.7
163.06123	1.2
169.01402	6.8
171.10263	14.6
172.10591	0.6
173.02373	0.8
173.11806	2.4
179.05630	1.0
180.11703	0.7
181.08708	0.6
183.02921	1.0
199.09758	6.1
201.01917	0.6
201.11226	0.7
213.11340	4.2
215.12851	1.0
217.10806	17.0
218.11099	1.2
229.01294	1.1
231.02998	0.8
245.00856	0.8
247.02393	2.1
247.09717	0.7
257.00696	0.8
273.00165	0.6
273.13391	2.0
275.01929	2.8
291.14478	9.5
296.48428	0.7
299.51001	0.7
300.99863	6.1
301.99872	0.8
335.17068	2.0
349.18634	0.7
361.15338	1.4
376.02371	0.8
376.52750	1.0
377.02896	1.2
379.16074	1.9
382.02307	1.0
390.02158	0.9
390.52805	2.9
391.03073	6.8
391.53015	1.6
392.03519	1.1
393.17331	0.9
409.06430	0.7
453.19635	100.0
454.19937	8.5
454.83316	0.6
457.58969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96537	10.6
59.01381	100.0
61.98831	66.9
69.30293	51.4
70.90401	10.2
71.01386	42.5
73.02930	19.3
80.40530	10.4
85.02957	24.3
90.13594	9.4
95.01376	19.7
101.02427	59.0
108.02151	11.4
109.02958	20.4
111.44396	11.0
113.02458	19.3
121.05924	9.7
122.06143	14.4
123.00834	20.0
125.02402	18.6
133.03043	9.3
145.02921	19.0
155.10838	18.9
161.04559	31.6
169.01373	10.3
177.01886	11.9
247.02618	12.4
268.56607	12.5
269.13043	14.2
270.13196	15.5
275.02127	13.5
301.00000	19.0
376.02429	14.0
391.03110	26.6
393.24786	29.5
447.74515	10.9
453.17184	14.1
453.22714	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16940	1.6
58.30930	1.5
59.01377	34.1
59.02394	1.5
61.98828	100.0
62.76861	1.9
66.42999	1.5
71.01392	8.5
73.02940	3.7
78.17612	1.5
82.95438	1.8
85.02958	8.3
85.16828	1.7
89.02459	3.7
95.01373	5.2
96.95965	2.3
98.21874	3.8
99.00905	2.7
100.03236	1.7
101.02470	8.8
108.02174	8.6
109.02962	21.6
110.03296	1.7
111.00873	1.7
113.02426	4.9
119.03486	1.6
123.00885	5.3
125.02407	6.0
137.09706	2.6
145.02931	1.7
154.87175	1.5
155.10797	23.0
161.04509	4.0
169.01439	5.1
191.03461	2.4
191.86475	1.6
199.09741	10.3
247.02507	3.8
273.11096	5.7
275.01956	2.0
300.99875	5.7
323.10098	2.0
355.12805	3.4
369.88745	1.8
385.14023	5.3
390.52399	3.1
391.03122	2.8
391.26645	2.3
391.53336	1.9
393.24908	15.6
417.21054	2.6
425.43240	1.8
453.17474	21.6
453.22754	9.2
453.28409	2.6
460.65997	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	453.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25938	3.0
59.01114	4.6
59.01377	51.5
61.98830	100.0
68.25882	3.2
69.30415	19.6
71.01379	15.6
73.02939	4.2
80.11240	3.6
83.01393	4.5
85.02969	11.0
87.04519	9.2
89.02451	8.8
95.01380	11.4
96.10249	3.2
101.02433	11.3
108.02170	28.3
109.02965	76.6
110.03303	16.6
113.02422	5.8
123.00880	13.8
125.02431	15.3
137.09702	9.8
153.09225	5.5
154.09521	4.0
155.10785	44.8
161.04562	6.0
169.01448	4.9
173.02332	3.3
179.10837	3.5
181.08720	3.8
182.33049	3.6
198.03050	3.4
199.09729	17.4
241.10608	3.2
244.06447	3.4
247.02457	3.8
273.11090	14.6
275.01849	3.8
283.11945	5.5
300.99838	10.2
355.12769	4.0
390.52625	5.3
391.03287	7.7
393.25049	18.8
453.17459	63.3
453.22824	14.3
454.18033	6.0
455.63358	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93342	8.9
54.59376	8.1
57.83940	9.7
59.01375	54.3
60.36581	9.4
61.98810	26.0
71.01376	28.3
75.13846	9.8
85.02953	12.1
93.03456	28.4
95.01373	13.5
101.02430	17.0
108.02179	62.2
109.02943	45.2
123.00885	36.1
125.02436	71.4
137.02425	50.7
139.05962	11.2
161.04700	14.2
169.01421	100.0
199.13342	59.5
270.13318	16.9
275.01923	21.1
300.99658	22.2
346.31390	10.5
391.02768	13.7
393.25000	12.6
453.17142	11.7
453.23004	66.8
453.28558	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	454.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03376	0.2
61.98828	100.0
69.30357	0.2
69.48914	0.2
70.79262	0.2
71.01369	0.2
88.18575	0.2
101.02454	0.3
101.35959	0.2
109.21669	0.2
120.11379	0.2
137.02443	0.2
169.01561	0.2
391.10495	0.4
395.19131	0.2
425.48300	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	454.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22891	0.6
59.01377	4.7
61.98827	100.0
64.58193	0.6
69.36040	0.5
71.01389	2.2
71.44541	0.7
73.02940	0.9
89.02461	0.9
95.01438	0.9
101.02468	0.9
107.01413	0.5
107.87188	0.5
109.02953	2.1
113.02448	1.3
121.02971	0.8
123.00920	1.4
125.02464	3.4
137.02530	0.7
155.10817	1.8
163.96989	0.6
168.02225	1.2
178.63115	0.7
201.02080	0.6
260.54056	0.6
285.04202	1.0
301.00006	1.2
303.05258	1.7
385.14581	0.6
391.03098	0.7
391.27087	1.5
391.53430	1.3
393.25055	0.8
394.25555	1.2
454.18277	1.9
454.23697	0.9
476.44977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87250	0.5
59.89174	0.5
61.98827	100.0
69.40842	1.5
71.11237	0.4
76.79598	0.5
96.42883	0.5
116.41482	0.5
117.47406	0.5
136.37097	0.5
186.47264	0.5
297.91174	0.5
309.45810	0.5
383.16171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72546	0.3
61.98826	100.0
70.53194	0.4
70.58583	0.3
98.21780	0.6
108.47546	0.4
116.38321	0.4
138.98007	0.3
147.96669	0.4
154.75171	0.4
176.48489	0.3
263.89050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0984
Annotation	CHEMBL159433
Peak:m/z	Relative Intensity
56.67616	0.8
57.03437	5.3
69.03438	0.8
70.03850	0.8
70.46360	0.9
71.01377	2.4
73.02943	1.4
81.03454	3.7
83.01382	4.5
85.02944	1.3
93.03468	0.9
95.05018	2.9
97.02962	6.1
97.06604	1.0
101.02428	1.5
107.01367	4.0
108.02170	3.3
109.02216	1.3
109.02950	22.4
111.00876	1.0
113.02399	0.9
115.71894	0.8
117.03470	6.1
119.04985	1.9
121.02932	2.9
123.00908	1.5
123.04523	11.8
124.01661	25.3
125.02441	32.0
129.95671	0.9
135.04510	1.9
137.02441	13.8
138.03201	1.2
139.04005	14.1
145.02946	38.8
145.04097	2.0
146.03465	2.6
149.02486	4.9
151.03987	8.0
153.40540	0.7
159.04544	4.3
160.05226	1.5
161.04556	2.6
161.06049	4.5
163.03931	2.7
164.01096	3.0
165.01952	10.0
167.03436	1.3
168.00642	35.6
169.01324	0.9
175.04013	1.6
175.07629	1.2
179.03535	4.7
183.02982	86.7
183.10219	3.3
184.03319	2.0
184.05138	1.0
185.05984	1.9
187.04053	4.9
188.04744	3.5
201.05463	1.0
202.06310	2.0
203.07132	10.5
205.05045	7.7
207.03001	1.1
221.08182	2.1
227.07167	2.8
229.05179	1.0
245.08170	17.1
247.06079	1.6
253.05077	1.5
256.03647	0.9
271.06061	6.6
289.07166	100.0
290.07480	6.2
305.06570	3.5
307.08179	2.5
377.01651	1.0
417.11868	18.0
418.12128	1.6
419.12512	2.5
455.09918	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	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.9
59.73205	0.6
62.59082	0.6
69.03488	0.7
69.14738	3.1
71.01377	7.0
72.99276	0.7
73.02970	0.8
78.95909	2.3
83.05033	0.8
85.02949	13.2
89.02433	4.9
93.03451	4.6
99.00912	0.6
101.02445	4.0
107.01344	0.7
109.02968	0.8
111.85823	0.7
113.02431	4.1
117.03452	8.9
118.04287	3.0
119.05025	65.2
120.05333	1.4
121.02956	2.7
125.02451	2.6
129.05562	6.2
131.05031	2.1
132.05788	4.3
133.02962	0.9
133.06602	20.7
135.04491	1.5
136.04834	0.6
145.02948	68.7
146.03340	2.2
147.04523	1.9
149.06075	0.8
152.99583	3.4
159.04538	1.8
161.02434	2.2
161.06078	49.5
162.02953	1.9
162.06461	2.0
163.04007	85.7
163.11249	0.9
164.04333	3.2
169.01399	2.6
177.04019	1.3
177.05565	27.0
178.05910	1.8
179.03503	1.5
179.05634	1.3
180.03795	0.8
181.03751	0.7
181.71919	0.6
187.04001	3.6
191.07156	0.8
203.83778	0.7
205.05048	63.2
206.05347	3.2
209.11806	10.3
210.12212	0.7
217.05127	1.2
235.06100	50.2
236.06412	2.8
265.07153	100.0
266.07498	5.0
281.06757	0.7
282.07004	0.9
283.07108	1.9
307.08206	1.3
309.11823	3.1
325.09271	35.2
326.09537	1.8
343.09183	0.9
363.12314	0.7
395.19150	0.7
429.44864	0.7
455.15863	23.3
456.16165	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	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83667	1.7
52.71177	1.7
59.01379	16.1
61.98830	5.2
67.45097	1.9
67.60577	1.7
69.31005	9.5
71.01374	15.9
73.02934	4.2
83.01380	2.2
85.02954	19.4
87.04533	3.1
89.02470	4.5
93.03466	5.2
93.87587	1.8
98.21806	2.1
101.02455	8.4
108.02192	7.9
109.02952	14.2
113.02438	8.9
117.03437	10.4
118.04270	3.8
119.05032	61.6
121.02965	2.2
125.02456	5.9
129.05592	7.5
131.05046	2.2
132.05827	6.0
133.06589	16.4
135.04514	6.1
145.02954	64.6
147.04573	2.2
157.75346	1.9
159.04524	3.2
161.02425	2.0
161.04556	9.6
161.06084	43.7
162.06418	2.2
163.04013	76.3
164.04352	3.2
169.01494	3.3
177.05568	21.1
187.03975	3.4
201.11253	5.4
205.05048	61.2
206.05441	1.8
235.06105	50.8
236.06494	2.5
256.52405	1.8
265.07166	100.0
266.07498	6.9
271.08344	2.1
309.11890	2.1
321.58154	1.9
325.09262	24.2
395.19470	3.2
455.15518	10.7
471.13812	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1768
Annotation	(LRha)3
Peak:m/z	Relative Intensity
55.01875	3.3
57.03437	1.6
58.00584	2.4
59.01377	100.0
69.03457	2.8
71.01378	31.0
72.00878	1.3
72.03191	1.4
72.99301	2.9
73.02949	34.6
80.10327	1.1
83.01389	3.9
85.02950	33.5
86.00099	3.9
87.00867	18.5
87.04521	10.2
89.02445	25.9
97.02943	1.9
98.21871	3.0
101.02443	37.6
103.04014	16.1
113.02449	5.8
114.09781	1.3
115.03999	23.7
119.03506	15.0
125.02454	2.6
129.05588	14.6
129.48978	1.2
131.03503	18.0
143.03500	20.1
145.05083	6.0
146.62413	1.4
147.04504	4.6
161.04556	1.7
163.06119	59.1
164.07208	12.9
205.07179	31.3
247.08241	30.7
307.10336	2.7
325.11124	1.9
404.53220	1.3
455.04947	1.7
455.17679	39.7
456.17981	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	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21169	0.2
59.01377	2.0
60.01703	0.4
61.01801	0.4
61.98829	100.0
68.73460	0.2
69.39581	0.4
69.39971	0.5
71.01408	0.6
71.24277	0.2
72.01722	0.2
73.02953	0.4
85.82697	0.2
88.98819	0.4
89.02448	0.6
90.02809	0.2
98.21892	0.5
101.02451	0.6
103.02862	0.2
105.04405	0.2
123.00891	0.3
125.02414	0.2
151.58911	0.2
153.34393	0.2
163.06160	0.7
164.06462	0.5
165.06535	0.4
169.01408	0.2
196.62946	0.2
208.13551	0.3
275.01941	0.3
295.08194	0.3
311.28598	0.2
323.54642	0.3
337.87720	0.2
396.18628	0.6
419.19049	0.3
420.19513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35034	0.3
63.21447	0.4
69.09403	2.2
72.00906	8.5
72.99313	0.5
73.22472	0.3
91.05524	0.9
98.22694	0.7
99.89711	0.4
103.05495	0.7
131.63397	0.4
147.04520	27.6
148.04857	1.0
152.45596	0.4
164.07158	100.0
165.07507	3.3
169.01343	0.6
204.15167	0.4
336.77353	0.4
470.59250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	36.3
61.98837	64.6
69.19462	60.7
71.01396	18.4
72.14455	10.1
85.02981	10.9
87.63996	10.0
89.02448	15.0
103.26797	9.6
104.26742	11.4
110.55442	11.0
113.02464	12.6
121.45773	10.7
149.06081	100.0
161.04526	14.2
215.16202	9.9
218.18028	11.6
220.99992	8.8
242.07825	9.1
242.40532	12.1
259.00708	11.2
270.69043	11.4
299.99072	34.0
300.99942	28.0
413.21921	27.4
457.00238	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62748	0.9
59.01373	7.8
60.99307	17.3
61.98822	11.1
65.85422	0.9
67.99328	0.8
71.01367	3.0
85.02947	1.3
87.00844	1.9
88.53746	0.9
88.98804	100.0
89.02437	1.2
89.99147	1.3
93.03454	2.8
95.01412	1.7
96.71038	1.0
96.96011	1.7
101.02448	1.8
102.68150	0.9
108.02167	1.2
109.02956	4.8
111.00887	1.5
113.02438	1.6
121.02948	1.8
123.00893	2.2
123.04468	1.6
125.02446	8.3
125.03259	1.4
134.03731	2.5
135.04524	21.1
136.04875	1.2
139.00383	1.7
143.03436	1.1
144.80978	1.0
151.03978	5.7
161.02425	2.9
163.04036	1.8
163.06119	1.3
169.01472	5.2
173.04547	5.9
177.05534	0.9
182.99330	1.4
183.02962	2.8
189.01962	1.8
190.02759	2.0
191.05644	8.3
201.01794	1.0
205.01343	1.4
219.06633	1.5
229.01266	1.0
233.08221	1.5
243.02800	1.5
247.06100	2.8
261.00558	1.4
262.94186	1.0
271.02530	1.7
275.01929	6.4
277.07159	2.9
288.99844	3.9
300.99988	1.8
301.03308	2.9
367.10419	2.4
438.99490	1.1
457.13144	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.0
67.01860	0.4
71.01377	2.1
79.80831	0.4
83.01372	1.1
85.02934	0.6
87.98435	0.4
89.02426	0.9
94.84490	0.3
101.02416	0.7
105.57302	0.3
107.01392	9.1
109.02935	0.8
111.00883	1.4
112.47989	0.4
113.02409	0.8
121.02971	0.7
123.00887	5.5
124.01673	6.5
125.02412	1.3
127.00387	1.3
131.63429	0.4
136.98784	1.1
137.02487	0.4
138.03221	6.7
139.00429	2.0
139.04015	10.8
140.01129	0.7
141.01962	0.5
143.07097	0.4
152.01149	0.6
153.01898	0.9
154.02660	0.5
166.02655	1.3
166.99855	7.6
168.00642	9.2
169.01381	2.3
170.28099	0.4
179.03499	0.5
182.02216	6.3
183.02988	34.4
184.03291	0.8
197.04533	1.0
198.45697	0.4
210.01707	10.7
210.03737	0.6
211.02304	1.3
225.04047	49.4
226.04414	2.3
255.05118	4.5
270.03784	1.3
275.01877	0.9
285.06165	100.0
286.06509	4.0
305.06458	0.4
345.08194	4.4
386.81577	0.4
457.13324	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.0
67.01860	0.4
71.01377	2.1
79.80831	0.4
83.01372	1.1
85.02934	0.6
87.98435	0.4
89.02426	0.9
94.84490	0.3
101.02416	0.7
105.57302	0.3
107.01392	9.1
109.02935	0.8
111.00883	1.4
112.47989	0.4
113.02409	0.8
121.02971	0.7
123.00887	5.5
124.01673	6.5
125.02412	1.3
127.00387	1.3
131.63429	0.4
136.98784	1.1
137.02487	0.4
138.03221	6.7
139.00429	2.0
139.04015	10.8
140.01129	0.7
141.01962	0.5
143.07097	0.4
152.01149	0.6
153.01898	0.9
154.02660	0.5
166.02655	1.3
166.99855	7.6
168.00642	9.2
169.01381	2.3
170.28099	0.4
179.03499	0.5
182.02216	6.3
183.02988	34.4
184.03291	0.8
197.04533	1.0
198.45697	0.4
210.01707	10.7
210.03737	0.6
211.02304	1.3
225.04047	49.4
226.04414	2.3
255.05118	4.5
270.03784	1.3
275.01877	0.9
285.06165	100.0
286.06509	4.0
305.06458	0.4
345.08194	4.4
386.81577	0.4
457.13324	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	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31631	0.1
59.01374	1.7
60.90877	0.1
62.92593	0.1
67.68699	0.1
68.73090	0.1
69.03447	0.1
71.01376	0.4
73.02930	0.2
75.98879	0.1
78.21754	0.1
83.01340	0.1
85.02921	0.2
87.00880	0.3
89.02440	0.5
93.03461	0.2
97.02966	0.1
101.02441	0.5
103.03992	0.5
106.04272	0.1
108.02184	0.5
109.02967	0.1
119.03495	0.3
121.06645	0.2
122.03719	0.9
124.01666	0.2
125.02436	0.5
134.03723	0.2
147.04539	1.0
148.05298	2.0
149.06073	100.0
150.06409	3.7
156.64009	0.1
160.17432	0.1
162.50044	0.1
163.06102	0.3
170.01164	0.1
183.02965	0.3
184.03395	0.2
185.03572	0.2
191.07111	0.1
239.09868	0.1
247.08374	0.2
289.07211	0.3
290.07452	0.2
291.07727	0.4
298.98401	0.2
299.99130	1.4
300.99832	1.8
307.10284	0.3
330.02985	0.1
337.07227	0.2
457.00558	1.3
457.11349	0.2
457.17194	1.0
458.00687	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	457.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71186	1.0
55.01870	3.0
57.03436	4.1
59.01373	13.9
71.01381	66.9
72.01722	1.2
73.02945	21.3
78.77401	1.0
78.95927	1.1
83.01380	7.1
85.02946	30.9
87.00869	2.5
87.04486	2.4
89.02429	5.0
93.03448	7.1
95.01375	7.0
96.95992	1.1
97.02949	2.3
98.22599	2.2
99.00878	8.3
99.08161	2.3
101.02439	37.9
108.02168	35.1
109.02953	73.3
110.03313	1.9
111.00847	1.7
113.02445	31.6
113.09678	1.1
117.03465	2.9
119.05035	12.2
120.05344	4.5
121.02914	1.2
121.05620	1.5
123.00876	2.9
124.01700	1.1
124.80572	1.4
125.02429	3.5
129.01955	1.3
130.05870	1.1
131.05003	1.6
133.06592	4.9
134.06914	2.5
134.75819	1.0
137.02426	13.2
143.03473	5.0
143.10722	5.4
145.02942	12.1
146.03271	6.3
147.03511	2.9
157.12308	2.1
159.03029	6.4
161.04561	100.0
161.06013	7.9
162.04895	2.1
162.06400	3.0
163.03979	11.6
163.06580	2.1
164.04347	8.5
165.04483	4.2
169.01347	2.3
177.05586	4.1
178.05989	2.0
179.05817	1.5
185.11864	1.6
193.05011	1.0
203.12862	22.6
205.03426	1.7
205.05070	7.3
206.05431	5.1
207.05632	5.5
209.11752	1.5
229.24178	1.4
235.06091	4.7
236.06433	3.2
237.06601	4.7
265.07239	7.6
266.07556	8.2
267.07697	11.7
271.08234	12.3
272.08432	1.3
273.00385	1.5
275.01901	2.0
289.00241	1.2
299.99353	1.3
300.99597	1.6
326.09546	2.0
327.09781	5.4
418.00894	1.1
457.16156	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	458.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03436	1.6
59.01122	0.8
59.01378	21.0
59.01660	1.7
63.85362	0.7
69.03470	1.0
69.24187	1.3
69.24471	4.6
71.01377	30.3
73.02945	15.2
83.01381	9.1
83.65465	0.8
85.02946	14.8
87.00886	1.7
88.98798	1.1
89.02449	5.9
95.01367	2.4
97.02947	1.9
98.22601	1.8
99.00856	4.5
101.02442	30.3
103.04029	2.3
108.02156	2.9
113.02444	15.1
119.03514	1.5
119.44303	0.8
123.00887	1.7
125.02445	3.6
129.01880	0.8
143.03532	2.3
159.02983	3.2
161.04550	16.9
163.06123	2.4
177.26546	0.7
204.07208	0.7
247.08270	2.9
269.10281	51.7
270.10709	2.6
305.42487	0.9
307.10513	1.1
415.16064	100.0
416.16412	8.2
423.09235	2.0
458.13867	1.4
459.09048	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	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13017	0.4
57.67249	0.4
59.01369	3.4
61.01813	0.6
61.98830	100.0
71.01385	1.4
72.01734	0.6
73.02962	1.1
82.04764	0.5
83.01411	0.9
85.02964	0.9
85.17179	0.4
88.14699	0.4
89.02428	0.7
95.01340	0.5
98.22704	1.1
101.02470	1.3
103.02857	0.5
107.01377	0.8
113.02473	0.5
124.01714	0.8
129.06705	0.4
139.04053	0.8
154.02716	0.5
161.04605	0.6
163.78911	0.4
166.99966	0.6
168.00511	0.5
169.01517	0.5
183.03050	1.5
184.03323	1.0
210.01730	0.5
225.04132	1.6
226.04446	1.8
249.13475	1.0
250.13780	1.7
251.13948	1.3
252.14230	1.1
285.06143	3.2
286.06512	5.4
340.57907	0.5
390.62750	0.5
396.19675	1.2
396.95026	0.6
397.19876	1.3
398.19931	5.2
448.20239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92227	0.9
59.01377	81.1
60.01722	1.0
60.42989	1.0
61.12695	1.1
84.80742	1.0
98.22623	3.3
115.02541	8.6
117.00443	8.7
132.98207	2.3
141.00433	1.0
148.89992	0.9
156.99863	2.1
159.01491	79.8
160.01643	3.9
174.99240	18.6
179.24879	1.2
201.02539	17.6
217.00285	39.6
229.03915	1.0
232.98338	1.8
259.01639	2.6
272.85446	2.1
273.01355	1.1
274.85153	2.9
274.99390	6.0
298.99216	1.3
301.02640	56.2
302.02740	6.3
314.86404	2.3
316.86182	2.7
317.00391	100.0
318.00708	5.5
417.00388	1.4
458.87897	2.0
459.01291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71078	1.0
69.43096	4.9
71.01385	2.7
85.02934	1.4
94.15395	1.0
95.01412	1.6
101.02425	2.0
107.01382	2.2
108.02184	3.7
109.02956	11.6
112.78768	1.1
113.02511	1.5
119.83815	1.0
123.00868	11.1
124.01669	8.1
125.02450	20.9
134.36621	1.0
136.98685	1.0
139.00389	2.1
151.00369	9.1
154.77853	1.0
168.00618	2.7
169.01427	38.4
169.80841	1.0
178.07552	1.1
187.30881	1.2
204.10576	1.1
211.02379	1.5
313.05597	10.5
322.53622	1.2
423.09317	100.0
424.09518	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	459.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59352	3.8
59.01376	30.6
60.24042	5.1
60.24352	4.0
61.98819	21.5
62.26355	3.7
69.27705	20.7
71.01379	22.0
87.00855	4.0
89.02431	14.9
101.02467	11.9
107.01393	4.5
108.02184	7.5
109.02959	13.0
113.02454	8.2
114.14539	3.7
119.03508	11.1
119.05035	14.0
123.00902	17.3
124.01652	11.7
125.02464	42.1
137.02390	4.4
141.01886	4.7
145.02936	7.6
151.00389	10.7
151.04024	7.7
163.04036	15.0
169.01408	53.8
313.05701	10.3
343.21124	9.2
372.80005	4.1
417.24957	18.5
423.09305	100.0
424.09576	4.0
459.09402	30.8
459.19406	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	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.36377	1.4
76.69913	0.7
80.37396	0.5
107.05027	25.9
108.05383	1.0
137.85812	0.7
147.08206	0.7
163.11281	100.0
164.11566	3.5
185.05830	0.7
280.14719	0.8
283.17023	38.6
284.17349	2.1
295.17004	16.4
296.17538	1.1
459.29010	75.8
460.29407	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	460.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	86.0
61.98825	32.9
63.39828	3.9
65.76865	4.2
71.01372	46.0
72.99302	5.7
73.02953	4.2
75.01514	4.4
79.41498	4.8
83.01393	4.9
85.02934	10.6
89.02438	75.1
96.63096	4.6
101.02428	40.5
109.02915	8.4
113.02459	24.7
119.03460	32.3
121.81821	4.3
123.00829	5.0
124.01666	7.1
125.02454	12.6
143.03450	7.8
149.98744	5.7
151.11226	5.4
161.04549	13.9
169.01410	15.2
179.05560	22.3
195.13889	7.3
239.12828	22.7
268.35239	4.7
417.24899	100.0
418.25070	9.0
423.09146	11.0
424.09735	25.2
461.23880	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	460.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98817	59.0
68.30909	14.8
69.33307	61.5
71.01377	66.9
78.60590	12.5
85.02969	26.2
89.02452	59.9
89.26070	15.7
92.85703	14.0
98.22607	34.5
101.02429	61.5
109.02921	16.5
113.02442	24.9
119.03532	23.3
121.20171	15.5
125.02411	42.9
161.04527	54.9
169.01434	41.3
169.05893	17.8
179.05533	28.4
210.65962	15.8
417.24933	72.6
418.25568	19.6
423.09262	69.5
424.09821	96.4
461.23849	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	86.0
61.98825	32.9
63.39828	3.9
65.76865	4.2
71.01372	46.0
72.99302	5.7
73.02953	4.2
75.01514	4.4
79.41498	4.8
83.01393	4.9
85.02934	10.6
89.02438	75.1
96.63096	4.6
101.02428	40.5
109.02915	8.4
113.02459	24.7
119.03460	32.3
121.81821	4.3
123.00829	5.0
124.01666	7.1
125.02454	12.6
143.03450	7.8
149.98744	5.7
151.11226	5.4
161.04549	13.9
169.01410	15.2
179.05560	22.3
195.13889	7.3
239.12828	22.7
268.35239	4.7
417.24899	100.0
418.25070	9.0
423.09146	11.0
424.09735	25.2
461.23880	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	461.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84036	0.8
50.84292	0.9
59.01382	10.4
61.98819	1.5
62.16304	1.0
65.00311	2.2
69.47888	4.3
71.01357	3.2
73.02926	1.3
81.03458	0.9
83.01369	2.1
85.02977	1.2
89.02455	3.0
92.20411	1.3
93.03455	1.1
96.68347	0.8
98.22617	2.0
101.02427	2.6
107.01396	3.2
109.02966	2.3
113.02451	2.2
123.00866	1.7
123.04501	1.0
125.02435	6.4
128.56468	1.1
145.02956	1.6
149.02470	1.4
151.00346	8.1
160.01567	1.7
161.04453	1.6
165.01875	1.3
167.04999	1.5
168.00681	1.0
169.01395	4.4
175.04054	1.2
177.01857	5.6
193.01436	4.8
195.04524	1.9
209.06065	1.6
216.00584	3.5
217.01308	1.6
217.04997	1.0
227.03584	1.6
229.01404	1.3
235.03944	1.9
237.05542	2.5
239.13002	1.0
253.05058	5.8
255.02939	5.8
257.04410	1.6
263.03381	1.6
276.50922	1.1
279.02982	2.8
281.04608	8.8
281.17633	1.2
283.02399	2.8
294.01669	1.5
307.02435	1.2
309.04044	69.8
310.04382	4.5
316.42807	1.1
325.03607	5.9
335.01938	13.0
347.05527	6.8
365.00613	1.0
399.04999	3.3
423.09317	5.2
443.04391	2.0
461.05124	100.0
461.23846	3.3
462.05411	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	461.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.1
58.42484	1.0
59.01372	2.2
62.54214	1.0
69.03461	2.0
70.85091	1.2
71.01383	8.7
81.60896	1.1
87.00878	1.9
97.02938	1.6
99.00856	1.4
107.01372	1.9
112.98807	4.4
123.00888	3.0
124.01655	12.6
124.98814	6.6
125.02440	62.2
140.98285	1.8
142.99854	100.0
146.99747	1.1
152.01115	1.0
168.00653	1.8
169.01437	3.2
173.00911	23.4
173.02339	1.9
180.06633	1.8
209.18831	1.1
211.02472	6.1
212.89621	1.0
248.96181	1.2
271.04529	8.1
287.07706	16.8
290.97012	4.0
331.06671	1.9
461.13022	4.5
467.58722	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66896	0.5
59.01376	11.4
59.85909	0.6
60.01677	0.5
61.98819	1.7
65.00315	0.7
69.75316	2.1
71.01375	4.9
73.02951	2.5
82.95403	0.9
83.01399	0.9
85.02944	1.1
87.00866	0.8
87.04503	1.7
89.02444	5.3
90.98592	0.7
95.01375	1.0
99.04530	1.3
101.02444	2.8
107.01392	2.1
109.02972	0.7
109.06567	0.7
113.02436	2.0
114.82023	0.6
118.98074	0.6
119.03510	1.3
120.99694	1.0
123.00924	0.7
125.02467	2.3
126.31055	0.6
132.17171	0.5
145.02992	0.6
149.06067	0.6
149.72559	0.6
151.00378	4.1
153.01936	0.8
160.94426	0.6
161.02576	0.8
169.01410	2.1
171.04527	1.1
179.05563	0.5
183.04489	0.7
187.04007	1.1
189.01970	0.6
193.12334	0.7
199.04022	5.3
201.01904	1.8
203.03525	0.8
207.10251	1.7
211.02509	0.8
215.03539	3.5
225.02061	1.2
226.02658	1.3
227.03456	4.6
229.01379	1.1
242.02213	11.1
243.02957	42.2
244.03275	3.1
255.02945	4.2
257.04562	12.8
258.05127	1.3
270.01685	11.4
271.02457	50.1
272.02808	3.3
281.17572	13.9
285.04041	26.6
286.04749	7.0
298.98474	0.9
299.01959	17.8
299.05423	0.9
300.02725	13.6
314.04312	58.2
315.05057	34.2
316.05429	1.9
357.06052	1.5
423.09421	2.3
461.10907	100.0
461.24124	5.6
462.11261	9.4
484.01077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.7
59.01646	0.6
67.73686	0.5
69.38571	2.5
71.01373	4.3
73.02991	0.8
75.07504	0.6
83.01432	0.6
84.14507	0.5
85.02937	3.5
86.51622	0.6
89.02441	4.1
98.21854	1.0
101.02451	1.2
106.21583	0.5
107.01392	3.8
108.02173	0.5
109.02982	1.4
111.00897	0.8
113.02461	1.8
119.03525	1.5
123.00895	4.2
124.00780	0.4
124.01656	14.1
125.02449	26.3
127.00371	0.5
129.05624	1.6
139.00412	1.0
139.04045	0.8
140.01170	1.2
140.26952	0.5
141.01744	0.5
151.00339	2.4
156.68623	0.5
165.02014	0.7
167.03537	2.1
168.00644	11.5
168.01961	0.9
169.01428	34.5
170.01819	0.8
179.05600	1.1
183.02971	0.8
193.01337	0.5
211.02470	60.1
212.02863	1.8
241.03577	1.4
271.04587	100.0
272.04971	5.1
290.50092	0.5
309.11856	1.5
313.05606	1.6
331.06696	26.2
332.06931	1.2
423.09320	9.7
425.09799	1.2
461.12915	31.5
462.13248	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	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47682	0.5
56.26977	0.5
59.01376	6.7
71.01383	3.3
82.00623	0.6
85.02947	2.4
89.02415	3.5
94.86607	0.5
95.01365	0.5
95.36755	0.4
97.02963	0.6
98.22689	0.8
101.02436	1.9
107.01379	2.5
109.02940	0.8
111.00873	0.9
113.02497	0.9
119.03511	1.4
123.00879	2.3
124.01662	14.1
125.02449	22.1
129.05556	1.8
139.00394	0.7
139.04001	0.8
140.01158	1.2
143.03471	0.6
151.00354	2.1
156.81252	0.4
159.22350	0.5
165.01965	1.1
167.03539	1.3
168.00638	13.5
169.01421	36.4
170.01741	1.3
179.05505	0.8
183.65576	0.5
211.02473	63.2
212.02805	2.3
241.03458	1.4
268.84500	0.5
271.04584	100.0
272.04971	4.8
279.80399	0.5
309.11969	1.4
313.05627	1.2
313.09570	0.4
331.06699	24.2
332.06845	0.9
354.00467	0.5
423.09305	5.9
424.09256	0.7
425.09766	0.9
461.12982	30.6
462.13245	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	461.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98822	0.8
65.03958	0.5
70.22104	0.6
71.01382	1.3
73.02934	0.5
73.67415	0.2
78.18596	0.2
79.05515	0.3
83.01389	0.2
85.02958	0.3
91.05518	0.4
93.03456	0.3
93.07111	0.7
95.05034	0.5
101.02426	0.8
103.05532	0.8
105.03449	0.5
108.02175	0.3
109.02947	12.5
110.03261	0.4
113.02429	0.7
119.05015	3.1
121.02931	0.6
121.06621	0.3
122.03723	0.3
123.04551	0.9
131.05058	0.4
132.05812	1.9
133.02969	4.9
133.06592	100.0
134.06938	3.0
135.04520	0.4
137.06082	3.3
145.21326	0.2
146.03740	1.0
147.04520	40.4
148.05341	5.3
150.03188	0.3
159.02994	0.3
161.02432	0.7
161.04564	2.0
165.05562	19.7
166.05852	0.7
169.01596	0.2
175.07689	0.2
221.90614	0.2
226.25140	0.2
237.12828	0.4
239.10777	0.9
253.44531	0.3
255.11345	0.4
281.11826	21.0
282.12173	1.3
299.12857	2.4
423.09378	0.6
438.92636	0.3
459.52145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01379	100.0
63.21752	0.7
65.99660	0.7
71.01382	31.4
72.97519	1.5
72.99326	0.9
73.02947	4.0
74.44244	0.7
75.00902	0.8
78.92888	0.6
85.02943	5.0
87.00871	1.5
89.02444	49.6
95.01398	1.9
101.02442	14.3
107.01396	0.7
109.02983	0.7
113.02461	12.3
119.03499	20.8
123.00912	0.9
124.18867	0.7
125.02455	1.6
131.03526	1.7
136.33533	0.7
143.03510	4.3
149.04608	1.4
161.04555	5.8
164.81949	0.7
169.01451	1.9
179.05602	20.0
179.10707	0.9
210.98276	0.8
221.11874	1.1
299.15140	3.1
341.15924	0.8
398.34280	0.7
423.09555	1.7
461.07770	1.5
461.19275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80672	1.0
57.03428	1.5
59.01379	94.3
61.98813	3.4
69.84867	3.2
71.01380	34.9
72.99296	1.1
73.02940	17.7
73.92979	1.0
75.00861	1.5
83.01379	3.1
85.02955	11.1
85.84055	1.0
89.02444	33.1
95.01386	2.2
97.02929	1.1
98.67861	1.2
99.04521	11.3
101.02438	22.7
107.01320	1.0
108.04749	1.0
109.02927	1.4
109.06613	2.6
109.65392	1.0
113.02441	14.1
118.98058	1.2
119.03520	12.7
120.99641	4.3
125.02444	3.6
137.02440	2.2
143.03517	1.8
151.00331	1.1
161.04552	4.1
169.01411	4.6
177.01797	1.2
179.05605	5.1
181.08669	1.6
207.10294	4.2
211.02275	1.4
225.11282	2.5
253.09167	1.5
255.02979	11.7
269.04575	1.1
281.17551	59.3
282.17920	4.2
283.02484	8.7
284.03299	2.5
297.03986	2.7
298.04840	3.9
299.05649	3.5
299.99094	3.3
313.00009	2.0
315.01520	4.1
401.21860	2.3
423.09351	4.9
443.22775	2.9
446.08548	1.9
461.10803	12.7
461.23929	100.0
462.24319	10.6
478.61151	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	461.3637
Annotation	Stigmast-5-ene 3beta,4beta,7alpha,22alpha-tetraol
Peak:m/z	Relative Intensity
57.02620	4.3
66.78606	5.2
77.73380	4.6
106.93877	4.2
121.06513	5.6
122.10284	5.0
133.06541	13.4
136.05273	59.6
149.06012	5.3
150.06871	59.7
151.07626	50.2
161.06062	39.4
164.04767	24.2
165.05511	5.5
174.29546	4.2
179.05676	5.8
179.07129	89.1
186.87129	4.8
202.09962	13.4
261.43237	4.5
428.32910	15.6
443.35309	79.2
444.35434	9.1
461.36508	100.0
462.36609	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	463.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41318	0.5
59.01372	1.9
61.98826	1.8
65.62426	0.5
69.43630	2.0
71.01373	1.0
73.00610	0.5
83.78900	0.4
98.22649	0.8
109.02921	0.5
123.46181	0.5
132.02205	0.7
144.02124	1.0
160.01625	0.8
161.92302	0.4
172.01666	2.7
173.02429	0.6
182.65768	0.5
185.02388	1.1
188.01201	0.8
200.01219	2.7
201.01961	1.0
216.00624	3.4
219.28630	0.4
226.99792	0.9
228.00606	2.8
229.01456	1.7
242.99350	1.0
244.00085	3.8
245.00854	1.2
257.00848	1.4
257.04486	0.9
270.98810	0.6
271.99570	2.9
282.98755	2.2
283.99658	1.3
298.98257	1.4
299.99097	100.0
300.99854	74.4
302.00156	3.5
463.05145	58.6
464.05347	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.9
61.98781	2.3
64.33462	0.6
65.00285	1.0
69.16376	3.2
71.01388	2.9
72.99281	0.6
73.02946	2.9
81.03429	0.8
85.02902	0.9
89.02394	2.1
90.66399	0.6
93.03403	2.4
95.01315	0.6
101.02409	2.5
103.14815	0.6
105.03402	1.1
107.01340	1.4
108.02183	4.1
109.02243	0.7
109.02943	12.8
110.44563	0.5
111.00839	0.7
113.02415	1.7
119.03508	1.1
121.02900	2.3
123.00865	0.6
123.04511	1.9
124.01635	1.3
125.02434	3.0
133.02914	0.7
135.04440	0.5
136.01579	1.4
137.02448	4.7
138.03239	1.2
145.02969	1.4
147.00774	0.9
148.01627	1.2
149.02432	4.6
150.03163	1.0
151.00368	3.0
151.03972	2.4
152.01160	5.0
153.01929	11.1
161.02473	2.9
161.04463	0.9
162.03131	1.9
163.00313	0.8
163.03957	1.1
164.01155	8.7
165.01935	5.8
166.02745	2.6
167.03490	1.6
169.01445	0.9
173.02345	0.7
177.01921	2.1
178.02635	1.1
178.99844	2.9
179.03468	0.9
189.01842	1.5
190.02739	3.7
191.03491	1.8
192.00636	78.5
193.01401	100.0
194.02080	6.9
195.02997	13.6
205.01447	3.8
206.02174	4.3
207.02965	19.0
209.11826	7.3
220.03859	0.7
221.00882	2.2
222.01686	2.4
223.02524	0.7
227.03436	0.5
227.12930	2.2
228.00549	0.9
233.00848	0.6
234.01694	9.4
235.02505	7.8
237.04036	1.2
239.16556	1.0
243.03004	1.7
244.00163	0.8
244.38266	0.6
249.04039	3.8
253.09308	1.3
255.02954	3.9
255.05179	5.8
271.02448	7.6
272.03070	0.9
281.06656	1.3
283.15634	1.7
299.95715	1.4
299.99173	22.1
300.02817	15.8
300.99927	17.2
301.03592	10.2
301.16788	1.0
309.06128	1.0
312.04706	4.5
313.05603	1.7
327.07138	3.8
391.10641	2.5
448.06668	1.5
463.09140	92.3
463.22195	2.8
464.09491	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17805	0.7
54.46472	0.8
59.95594	0.7
65.00321	1.0
69.26325	3.8
75.04643	0.8
83.01386	1.7
84.62959	0.7
95.82644	0.9
107.01373	3.5
108.02161	3.1
109.02956	2.2
121.02959	2.6
125.02445	1.0
135.00868	1.6
148.01625	1.7
151.00354	12.6
163.00365	3.1
164.01273	0.9
169.01364	0.8
178.99887	5.9
190.99919	0.8
198.07295	0.7
199.04080	1.3
202.89291	0.8
211.03952	1.5
226.02809	1.8
227.03474	3.5
229.05183	0.8
232.08997	0.7
239.03297	0.8
243.02965	14.2
245.04520	1.2
254.02216	2.7
255.02982	30.5
256.03375	1.9
257.04227	0.9
268.34048	0.8
271.02466	68.4
272.02939	6.3
273.03949	1.0
283.02481	1.2
299.01859	1.3
300.02725	100.0
301.03488	54.6
301.07086	1.8
302.03915	3.8
343.04739	0.9
463.08835	89.4
464.09177	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	463.0883
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
51.74898	0.4
52.61042	0.3
53.80383	0.3
59.01378	8.5
61.98794	0.7
63.02396	3.5
63.98348	0.3
65.00320	5.4
65.04324	0.3
69.17992	1.9
71.01377	2.7
73.02892	0.4
74.01344	0.3
83.01390	4.0
84.51669	0.3
85.02911	0.9
87.86835	0.3
89.02442	1.8
93.03413	1.0
95.01374	0.6
100.70831	0.4
101.02459	1.7
103.20260	0.3
107.01385	12.4
109.02928	0.8
109.06567	0.4
113.02420	0.9
118.44109	0.3
119.03502	0.8
120.99627	0.4
121.02148	0.6
121.02956	10.4
124.01649	0.6
125.02405	0.7
139.03918	0.6
149.02415	1.4
151.00366	51.9
152.00763	1.3
161.02422	0.7
162.29263	0.3
163.00359	0.6
163.04042	0.6
164.01138	0.8
165.01862	0.4
169.01357	1.7
175.00227	0.3
175.03935	0.4
178.99844	23.9
180.00157	0.5
186.77200	0.4
187.03954	0.5
189.12823	0.4
192.00502	0.5
193.01439	0.8
201.05551	0.6
207.13922	1.2
208.10548	0.4
209.11864	1.3
211.04030	0.6
216.00633	0.4
220.62157	0.4
223.91197	0.4
227.03474	0.8
229.05063	1.6
243.03056	0.8
244.00038	0.5
245.04582	1.4
251.12918	0.4
255.02928	1.0
256.18497	0.3
257.04718	0.7
265.14429	0.4
271.02435	1.6
272.03290	0.5
273.04135	3.2
281.34113	0.4
283.11194	0.8
283.15591	4.3
283.18561	0.6
299.01947	0.8
299.99188	9.7
300.02798	3.1
301.00021	9.5
301.03482	100.0
302.03806	4.4
427.19955	1.1
463.09326	33.0
463.26117	5.4
464.09824	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	1.9
59.01485	6.9
61.98589	1.3
61.98939	5.3
63.02477	0.9
65.00417	1.0
68.62775	0.5
68.99908	0.8
69.22491	2.6
71.01494	1.6
73.03047	0.8
76.90660	0.5
83.01479	1.2
85.03064	0.8
89.02597	1.7
92.45856	0.5
101.02585	1.7
107.01537	1.8
109.03027	1.4
111.00949	0.9
112.81095	0.5
113.02579	0.7
123.01031	0.6
124.01762	0.7
124.15884	0.6
125.02534	0.7
134.64229	0.5
135.04668	1.2
137.02565	1.9
139.00465	1.3
143.05074	0.8
144.96519	0.5
148.81085	0.6
149.02492	0.7
151.00359	7.3
152.01187	1.0
153.02013	1.0
159.04633	1.2
161.02585	1.9
163.00476	1.1
164.01158	6.5
165.99100	0.6
169.01521	0.8
171.04605	1.3
172.01765	1.5
173.02541	1.0
175.04044	1.3
177.05713	0.6
178.99866	2.8
179.05672	0.6
183.04631	2.0
185.02570	1.9
187.00505	1.0
187.04033	1.2
189.05548	3.6
193.01466	1.1
195.03073	1.9
199.03955	3.4
199.09749	0.8
200.01234	1.2
200.04321	0.6
201.01935	9.1
201.03644	0.8
203.03517	5.6
209.11877	1.2
211.04070	0.6
213.02083	0.6
215.03586	0.7
216.00693	2.0
227.03506	6.5
228.00682	1.0
229.01500	2.0
231.02998	5.9
243.02995	4.6
244.00140	1.6
245.00700	0.6
255.02881	4.0
255.05212	2.0
257.01096	1.2
271.02469	73.0
271.99594	2.0
272.02859	3.6
277.53253	0.5
280.23962	0.6
281.06436	0.6
282.98849	1.1
283.99670	0.8
287.01971	1.3
299.01953	100.0
299.99133	48.7
300.02295	5.6
300.99866	36.8
301.02979	0.6
302.00165	1.7
311.07788	0.7
316.02213	9.6
317.02957	4.5
373.14075	0.6
403.18930	0.6
432.73505	0.7
463.04706	36.3
464.05188	3.5
476.98032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.89439	1.0
62.02015	0.9
69.12106	2.6
69.12505	3.3
71.01376	1.5
77.38271	0.8
79.56092	0.8
85.02940	9.9
87.00878	1.7
93.03458	2.4
104.73476	1.0
108.02162	1.4
114.72179	0.9
127.03976	1.9
127.57893	0.9
133.01427	0.9
152.01155	1.4
168.00591	1.0
169.28645	1.0
173.04552	1.2
191.05611	100.0
192.05997	1.7
224.00613	0.9
332.37466	0.9
463.13202	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23302	0.8
59.01374	2.7
69.31326	4.0
71.01354	0.8
76.15524	0.9
83.05042	0.9
85.02940	9.3
87.00883	2.3
93.03454	3.7
95.19115	1.0
109.02965	1.3
118.04343	0.9
127.04020	3.0
190.51625	0.9
191.05602	100.0
192.05975	2.1
202.69966	0.9
237.45692	1.0
262.25522	0.9
283.75009	0.9
406.69434	0.9
424.93979	1.1
463.00348	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03450	0.4
59.01375	8.2
61.98829	7.0
64.56503	0.4
69.22633	0.4
69.31009	2.1
71.01380	4.5
72.88460	0.4
73.02941	4.3
80.02655	0.7
81.03446	1.0
83.01411	0.6
83.05023	4.5
84.02141	0.8
85.02950	1.2
86.46755	0.4
87.00869	0.6
88.47461	0.4
89.02443	3.4
93.03461	0.6
95.01378	0.5
95.05038	0.6
98.22665	0.5
99.02740	0.5
101.02440	4.2
107.01392	1.7
108.02165	1.1
109.02962	6.4
113.02425	2.3
119.03493	1.3
120.99671	0.8
122.99274	0.5
123.00848	0.5
125.02446	0.6
135.08109	0.6
136.99155	0.4
137.02441	1.8
143.03445	0.4
149.06085	0.8
151.00343	2.9
153.01938	6.7
161.02492	0.8
161.04555	1.8
163.00374	0.7
163.11246	3.9
164.01149	0.7
165.12856	2.6
166.02730	0.5
169.01425	0.6
172.01680	0.7
178.99878	1.2
179.05627	0.6
181.12355	0.8
190.02734	1.0
191.10722	0.6
192.00645	3.2
193.01451	2.2
199.12836	0.4
201.01910	0.5
203.84227	0.4
205.01469	0.6
206.02116	0.5
207.02983	0.7
209.11821	100.0
210.12204	3.7
216.00641	0.5
227.03459	0.4
227.12885	20.5
228.00528	0.6
228.13190	0.8
229.01556	0.5
234.01636	3.6
241.14502	0.6
243.02991	1.6
244.00089	1.1
244.48105	0.4
245.01067	0.5
249.03993	3.9
253.09279	13.4
254.02170	0.4
254.09438	0.5
255.02991	4.6
255.05302	0.6
264.55377	0.4
271.02481	10.5
271.99646	1.0
272.02811	0.7
281.06415	0.4
294.03781	0.7
299.99088	17.5
300.02737	17.1
300.99832	15.0
301.03488	11.8
301.16583	4.2
302.00366	0.8
302.03882	0.7
309.05942	1.3
317.02802	0.9
343.20920	0.6
375.18436	0.5
391.10370	2.0
463.04395	6.9
463.08884	15.3
463.20639	3.3
464.04391	0.6
464.09833	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
57.03436	0.2
59.01377	8.2
59.26420	0.2
60.01694	0.3
61.01797	0.2
61.98831	1.3
67.01868	0.2
69.29131	0.9
70.56729	0.2
71.01377	3.1
73.02948	0.4
75.00867	0.3
80.02689	1.0
81.03448	0.9
83.01397	0.5
83.05025	4.5
84.02168	1.4
85.02952	0.8
87.00860	0.5
89.02449	2.6
95.01370	0.3
95.05016	0.7
99.00902	0.2
101.02436	3.2
113.02480	1.2
119.03485	0.8
120.99661	0.2
125.02422	0.3
125.06108	0.7
135.08127	0.4
136.32492	0.2
136.56631	0.2
137.02460	0.2
141.25604	0.2
151.00418	0.4
161.04543	0.9
163.11288	3.8
165.12852	2.3
179.05602	0.5
181.12300	0.6
191.10814	0.7
201.01909	0.3
209.11826	100.0
210.12148	3.5
227.12888	16.9
228.13161	0.8
235.08252	0.5
253.09277	12.2
254.09631	0.5
255.03084	0.3
271.02417	1.2
299.99094	5.6
300.02710	1.5
300.99841	4.6
301.03522	1.3
302.00436	0.3
463.04745	4.6
463.19684	0.4
463.25421	0.7
464.05667	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.02800	0.5
51.07122	0.7
57.03437	1.3
58.00584	0.9
59.01375	100.0
61.07509	0.6
61.98829	0.8
70.51170	1.2
71.01378	33.6
72.99310	0.9
73.02943	1.2
83.01369	1.3
85.02972	4.3
87.00851	1.5
89.02441	50.4
90.02776	0.7
95.01389	2.3
101.02445	16.0
109.02942	1.0
113.02446	14.0
119.03493	18.4
125.02474	1.2
131.03497	3.0
135.04529	0.7
143.03528	5.3
149.04507	2.1
161.04556	5.8
162.49908	0.6
165.09207	5.3
177.05513	0.9
179.05594	17.5
200.01088	0.8
215.40375	0.7
216.00648	1.1
228.00496	0.8
255.70439	0.6
257.04449	0.8
278.52612	0.7
282.98947	0.8
299.99106	25.8
300.99890	26.7
302.00171	1.3
329.15735	1.0
361.08511	0.7
368.19299	0.7
386.46167	0.8
403.19650	1.8
451.81119	0.7
463.04974	29.3
463.22110	0.9
464.05359	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
51.49016	0.6
57.03446	10.7
59.01375	5.8
61.98822	2.0
63.02365	0.7
65.00313	1.7
70.50751	0.8
70.51082	0.7
71.01370	2.7
75.69939	0.5
78.91871	0.6
83.01389	3.9
85.02958	1.2
85.23419	0.6
89.02423	1.7
93.03459	14.6
95.01381	2.4
96.02179	1.7
98.21977	0.7
101.02457	1.6
107.01393	2.9
107.05013	0.9
108.02204	1.4
109.02934	2.9
111.00875	1.3
112.81419	0.6
113.02418	1.3
119.03487	1.1
119.05020	0.7
121.02949	1.8
123.00877	2.4
123.04514	2.7
124.01676	8.4
125.02448	100.0
126.02782	2.3
133.02942	1.6
137.02444	24.0
137.06157	1.5
139.00374	1.3
139.03944	0.8
147.04510	1.8
148.05307	0.8
149.02475	3.6
150.03287	2.9
151.00371	10.1
151.04005	5.1
152.01163	17.8
152.46748	0.6
153.01936	5.4
161.04549	0.6
165.05560	2.9
166.02859	0.7
168.00594	1.2
169.01450	5.5
172.05257	0.8
173.02513	0.8
173.06091	0.7
174.03268	1.4
175.03983	6.0
176.01180	1.6
177.01927	4.6
178.99825	6.0
179.05568	0.6
180.00662	2.0
181.01357	1.0
183.02966	0.8
188.04808	1.7
189.05568	4.8
191.03508	1.5
191.05647	2.2
191.07233	0.8
192.00691	1.5
193.01376	2.7
193.05060	4.7
194.01791	0.9
199.04080	1.6
201.01921	0.7
213.03204	0.6
213.05455	1.1
215.07198	1.4
216.04326	0.9
217.05049	9.5
219.02910	0.8
231.06769	1.2
241.05074	2.2
241.08696	2.0
257.04660	1.9
259.06110	13.1
259.11905	0.7
274.04974	2.2
275.05591	8.6
284.03363	1.6
285.04080	24.5
285.07501	2.0
286.04355	1.0
300.99847	1.1
303.05066	10.3
303.08289	0.9
313.05685	1.8
345.22855	1.6
405.21393	2.8
421.11575	2.9
437.10864	16.8
438.11179	1.9
447.09308	7.7
448.09579	0.6
465.10605	81.5
466.10788	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	465.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60340	1.9
59.01377	100.0
61.98830	16.8
64.77934	2.1
69.12878	7.0
69.13287	5.2
71.01011	3.7
71.01377	46.8
71.47483	1.8
72.01712	2.1
73.02950	4.5
73.18805	2.0
77.05952	2.0
81.07062	2.0
83.01369	2.4
85.02950	12.2
89.02440	68.4
90.97938	1.7
95.01372	3.0
99.04496	8.0
101.02427	29.8
104.72151	2.1
109.02962	2.7
109.67937	1.9
113.02456	21.5
119.03508	27.1
125.02466	4.8
131.03462	3.9
143.03450	5.8
149.04591	2.3
161.04532	5.6
161.13338	13.7
169.01382	6.2
179.05592	20.8
184.79147	2.0
187.11157	2.1
201.70096	2.1
205.12292	47.8
249.11293	84.6
250.11798	3.4
300.99661	3.0
303.21609	8.4
341.06668	6.2
384.92712	2.4
385.18619	3.5
396.15570	1.9
429.17581	52.7
430.18030	4.6
447.26056	4.0
465.05948	4.2
465.12024	2.8
465.26959	50.6
466.20087	2.8
466.27472	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	465.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.4
59.01377	100.0
60.01712	1.6
61.41275	0.8
61.63143	0.8
61.98820	4.3
69.03463	1.0
69.12187	1.9
69.12602	4.8
71.01378	18.4
73.02951	1.2
74.02674	1.0
75.92764	1.0
78.32635	1.0
83.05029	4.1
85.02949	3.5
88.84093	1.0
89.02441	21.9
95.01431	1.1
96.95993	1.4
99.04512	12.3
101.02435	8.2
105.07119	2.4
107.05035	1.3
109.02940	5.4
111.00906	1.5
113.02478	7.3
119.03471	8.0
121.02911	1.4
123.00809	1.1
123.08157	18.0
124.01664	1.2
125.02422	4.1
126.90433	3.7
137.02438	1.6
139.00391	1.2
143.03494	2.0
149.02541	1.0
149.09692	5.6
153.09195	3.1
161.04524	3.8
161.13307	1.1
163.11314	5.5
165.01888	2.9
167.03508	4.6
167.07126	16.5
167.10776	10.9
169.01405	1.7
179.05602	4.3
191.03624	1.4
191.05505	1.7
193.01367	4.3
207.10283	9.1
214.99756	1.1
223.13361	2.9
225.11284	1.3
225.14977	2.9
229.01294	2.0
241.14397	4.6
243.15955	2.0
245.00719	1.1
247.02341	2.0
267.12390	2.2
273.00375	2.6
285.04013	1.6
285.13431	65.8
286.13751	3.1
300.99924	4.9
301.99823	2.1
303.05060	6.9
313.05600	1.4
330.84149	1.2
405.16989	1.1
405.21341	12.2
465.05685	6.1
465.19681	48.9
466.02478	2.5
466.20004	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	465.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
57.07652	0.4
58.00579	0.4
59.01378	100.0
60.01727	0.6
61.19525	0.5
61.98849	0.4
71.01380	9.9
74.58144	0.4
80.16147	0.5
85.02968	1.4
87.00886	0.6
89.02444	15.6
95.01400	1.9
96.96005	2.4
99.04531	1.2
101.02431	7.7
108.02194	0.5
109.02956	4.4
111.00846	0.7
113.02448	5.4
119.03497	6.4
123.00869	2.7
123.08183	1.6
124.01704	0.6
125.02441	3.6
131.03529	0.7
137.02457	1.3
139.00395	1.7
143.03502	1.1
145.02908	0.5
149.02432	0.5
149.04573	0.8
151.00362	0.6
153.01956	0.5
161.02415	0.6
161.04582	1.8
165.01990	2.3
167.02194	0.8
167.03456	3.4
167.07144	1.5
167.10808	0.5
169.01456	2.5
171.00887	0.5
175.04057	0.7
177.01947	0.6
179.05595	4.4
181.01454	0.5
191.03387	0.5
191.05656	1.6
193.01408	3.0
201.01927	0.9
203.03690	0.5
207.10352	0.8
213.01862	0.5
214.99786	0.6
217.01361	0.6
217.05151	0.6
229.01595	0.7
235.02405	0.4
241.14470	0.4
257.00754	0.6
258.01584	0.6
259.02222	0.5
259.06201	0.5
274.01303	0.6
275.01974	2.5
276.02264	0.5
283.79483	0.5
285.00970	0.5
285.04016	2.1
285.13486	7.4
299.99158	1.5
300.99805	5.2
302.00253	1.5
303.05109	7.6
308.62936	0.5
313.05753	1.0
322.97900	0.6
405.21274	12.1
405.26657	0.7
421.03940	0.8
465.06235	0.8
465.11295	0.8
465.18954	3.8
466.02744	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.00602	0.8
59.01376	100.0
61.98825	1.5
69.09491	0.6
69.34282	3.5
71.01381	11.1
73.02922	0.7
81.03461	1.3
81.62518	0.7
83.01378	1.2
85.02959	2.1
89.02444	16.7
95.01389	1.0
95.49905	0.7
99.04525	1.3
101.02439	7.7
103.95385	0.7
107.01395	0.8
108.02190	1.4
109.02954	15.7
113.02441	6.1
119.03498	8.6
121.02961	1.2
123.00820	0.7
123.04500	0.9
125.02457	5.2
131.03548	1.2
135.08176	0.9
137.02406	3.6
137.09747	0.8
143.03532	1.9
147.04437	0.8
147.08255	0.6
149.02480	1.6
149.04538	0.9
149.09711	8.5
153.09189	3.0
158.53455	0.7
161.04549	3.4
165.01924	9.8
167.03482	16.2
167.10767	14.9
177.01997	1.1
179.05595	6.9
193.01411	7.8
217.05084	1.6
225.15031	2.7
231.06802	0.7
241.05078	0.8
243.16093	2.7
256.65738	0.8
259.06140	1.8
285.04211	3.1
285.13571	2.1
303.05096	22.2
304.05658	1.4
344.35574	0.7
380.03555	0.7
405.21307	15.7
465.11057	7.0
465.19461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
57.03440	1.0
59.01378	13.2
61.98833	3.5
66.06184	0.4
71.01380	10.2
72.99304	1.0
73.02940	3.4
75.00858	2.5
83.01385	2.0
85.02946	3.9
87.00851	1.0
89.02441	2.5
95.01374	1.2
97.06590	0.5
99.00887	1.1
99.08140	1.4
101.02443	6.2
111.00887	0.7
113.02448	2.7
119.03503	0.9
122.26923	0.5
125.02431	2.4
127.07656	1.3
152.03532	2.5
157.12315	1.1
161.04546	0.7
169.01393	1.6
173.52118	0.5
195.88403	0.5
200.74086	0.5
254.65935	0.5
267.15643	0.5
285.20688	2.7
295.49854	0.5
300.99915	1.0
301.20209	1.3
303.00461	0.6
303.21729	17.3
304.21942	0.9
313.05524	1.2
398.03616	0.6
445.60315	0.6
447.26093	5.5
465.27002	100.0
466.09833	0.7
466.27377	7.6
471.73770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39203	0.5
52.73571	0.5
55.00224	0.4
55.01881	0.7
57.03435	0.7
59.01378	12.8
59.22574	0.5
61.98829	4.0
71.01379	9.5
72.99280	0.8
73.02940	2.8
75.00867	2.6
79.87736	0.5
83.01376	2.2
85.02946	3.9
87.00865	1.4
89.02454	3.5
95.01374	0.9
97.02947	0.6
97.06593	0.7
97.47228	0.5
98.22668	1.1
99.00848	0.6
99.08168	0.9
101.02449	6.7
111.00860	1.3
113.02431	2.7
119.03459	1.3
123.00858	0.8
125.02458	2.7
127.07649	1.0
127.11259	1.1
145.02946	0.5
152.03531	1.8
154.84250	0.5
157.12407	0.9
161.04529	0.7
165.42226	0.7
169.01427	2.2
267.19513	0.5
283.19086	0.5
285.20724	2.2
300.99698	0.8
301.20117	1.2
303.21765	18.6
313.05594	1.8
319.17401	0.5
345.22821	0.7
347.23999	0.7
422.21127	1.1
447.26016	6.4
465.27020	100.0
466.09903	1.4
466.27332	7.6
485.87463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3218
Annotation	tetraHCA
Peak:m/z	Relative Intensity
54.07058	1.4
59.83636	1.5
65.74319	1.5
69.83548	4.2
75.97482	1.6
89.49174	1.7
98.21895	2.6
105.37763	1.5
116.56197	1.6
142.88916	1.7
267.71115	1.7
297.26346	1.6
357.19839	1.7
357.31619	9.4
359.33408	11.0
373.55670	1.8
403.32153	100.0
404.32321	8.5
447.31015	3.3
465.32190	98.1
466.32498	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	466.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03449	0.5
59.01379	10.6
61.98829	100.0
69.19016	2.7
71.01380	6.1
73.02944	3.0
77.64119	0.5
78.91892	1.1
83.01410	2.0
85.02950	2.0
89.02449	3.9
95.01402	1.4
99.00890	0.5
101.02450	4.7
107.01398	0.9
109.02996	1.3
111.00911	0.8
113.02464	2.5
119.03520	2.2
123.00896	3.3
124.01696	0.7
125.02455	5.0
139.00449	1.0
145.02942	0.7
161.04564	1.6
163.06140	1.0
166.99908	0.8
168.00603	1.1
169.01424	5.4
177.01938	0.7
179.05620	1.0
179.10832	1.9
183.02997	1.0
189.01964	0.8
191.05702	1.5
193.01393	0.5
200.09676	0.6
201.01990	0.8
205.01486	1.5
214.99976	0.7
223.09798	4.8
270.99069	0.8
273.03073	0.6
275.02057	0.6
298.98251	0.8
299.99319	1.1
300.02698	0.8
300.99908	6.2
301.03104	0.8
302.00204	1.9
302.03467	1.1
303.00433	0.7
303.03519	1.0
315.05020	1.2
321.19217	4.2
391.03311	1.2
403.16205	2.4
406.21573	0.9
407.19382	0.8
466.09494	2.1
466.20624	0.7
467.08636	0.8
467.15665	0.5
467.24918	3.6
478.07108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.6
60.79174	4.0
61.98833	36.3
68.90697	4.3
69.12508	23.1
71.01376	32.5
73.02939	14.9
76.91283	4.4
83.01395	12.6
85.02938	17.6
89.02422	7.6
95.01365	5.4
99.00843	5.8
101.02421	32.3
113.02418	9.8
123.00870	7.8
125.02414	8.1
136.93056	4.2
161.04538	10.0
169.01375	6.4
179.02225	4.8
277.16541	62.1
298.38910	4.7
300.99817	16.1
423.22366	100.0
424.23016	8.2
431.09613	6.4
466.19797	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	467.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
62.90860	0.7
64.50779	0.6
69.12437	3.2
71.01384	2.3
72.95677	0.6
74.41306	0.5
75.69738	0.5
79.01913	1.2
79.66124	0.6
81.03477	0.9
85.02940	1.6
92.16487	0.5
93.03410	0.7
95.01366	1.5
97.02965	1.9
97.38081	0.5
98.21917	1.1
101.02462	1.6
107.01383	4.7
107.34701	0.5
108.01452	1.3
108.02180	22.9
109.02969	14.0
111.00848	1.3
113.02450	1.0
123.00888	9.9
123.04510	1.8
124.01672	8.8
125.02445	24.6
126.02816	0.6
135.00835	0.8
136.98819	0.9
139.00363	1.4
140.01108	0.9
141.01944	1.4
151.00383	6.8
151.04005	1.5
152.01160	31.8
153.01962	9.2
153.05557	1.9
163.04045	1.4
168.00595	3.2
169.01425	36.5
170.01814	0.9
193.01370	1.3
193.98616	4.8
194.99268	0.6
207.02921	0.7
208.80600	0.6
211.02470	1.3
229.87267	0.6
237.42073	0.6
241.03438	0.8
249.70399	0.6
275.02005	0.9
300.99805	2.4
313.05688	8.1
315.07217	12.8
391.02957	1.1
409.81506	0.6
423.09338	19.5
424.09622	1.2
449.07086	1.9
467.08234	100.0
468.08731	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	467.108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95985	1.1
57.46133	1.1
59.01387	5.0
69.76953	3.4
71.01376	5.2
85.02963	1.8
89.02473	1.1
90.97152	2.2
108.02109	1.0
116.20074	1.0
116.98726	3.1
118.96620	10.9
125.02352	1.2
129.20216	1.0
132.98199	4.8
133.02931	1.5
138.25244	1.0
145.47414	1.0
146.96205	1.3
152.01204	1.3
156.98137	7.7
158.99748	20.2
160.97639	4.6
161.02417	3.5
163.04024	1.0
168.98199	1.8
169.01486	1.3
174.99220	1.7
177.01918	1.2
182.99768	9.2
184.97668	2.9
185.01311	2.5
186.99155	1.7
189.01971	3.1
196.40955	1.1
201.00786	9.8
203.02339	6.0
205.01398	3.1
210.44548	1.0
210.99171	3.4
213.00661	1.5
215.00015	1.5
217.00255	3.9
227.02367	7.8
233.00914	3.7
243.01785	2.9
245.03488	8.0
258.98767	4.1
259.99509	2.5
261.00308	2.8
300.99713	1.4
313.12927	1.0
347.06750	5.9
365.07590	3.5
407.08707	100.0
408.08939	4.1
423.05441	1.3
439.05249	5.2
467.03870	6.4
468.16513	1.1
492.21420	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	467.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03681	0.7
55.01869	0.9
59.01377	28.9
59.85917	0.6
66.12954	0.7
71.01379	11.5
73.02939	1.4
78.44338	0.7
83.01396	0.7
85.02938	3.3
85.78050	0.7
89.02452	7.5
97.02938	0.7
98.01843	0.6
99.00862	0.9
101.02447	4.9
105.03498	0.7
113.02440	4.6
117.03471	2.1
119.03497	1.5
125.02425	1.3
132.02179	22.5
133.02963	6.0
134.03746	59.8
135.04462	1.6
137.02484	0.7
144.20372	0.7
147.04514	4.8
148.05287	4.7
149.06094	17.2
151.04044	1.3
160.01662	100.0
161.02005	3.5
163.07613	0.8
173.06085	2.0
174.03142	0.7
175.04002	99.7
176.04785	19.2
176.41315	0.7
177.01926	3.4
177.05460	1.0
178.02693	8.6
179.03511	0.9
191.07147	33.2
192.04276	1.9
192.07492	1.0
193.05054	89.5
194.05388	3.0
199.29785	0.8
202.02725	1.7
206.38042	0.7
207.06635	6.9
211.07185	0.8
213.11281	0.9
217.05055	5.9
220.03755	3.9
235.06107	88.8
236.06404	3.1
247.06061	1.2
265.07159	64.2
266.07489	2.0
295.08212	98.6
296.08569	4.2
298.98849	0.7
306.41296	0.8
336.81320	0.8
337.09445	1.0
355.10257	7.8
466.27393	2.2
467.15622	6.8
467.27164	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	467.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.0
61.98825	13.1
64.74372	0.9
69.26044	3.3
69.26453	1.3
71.01377	9.2
73.02934	0.9
78.74099	0.8
83.01389	1.0
85.02935	2.0
89.02440	6.3
95.01362	1.2
101.02444	3.8
105.03493	0.9
109.02930	0.9
113.02433	4.9
117.03471	2.0
119.03507	1.0
122.44020	0.7
123.00896	0.9
125.02418	1.3
129.51590	0.8
132.02185	21.0
132.17290	0.7
133.02969	5.6
134.03743	56.6
135.04138	1.8
136.01703	0.8
137.02394	1.0
147.04503	5.9
148.05328	4.6
149.06085	14.4
151.04028	1.3
160.01659	100.0
161.01985	3.6
161.04602	0.9
163.07573	1.0
169.01407	1.5
173.06047	3.3
175.04001	77.8
176.04785	18.0
177.01938	3.7
178.02701	7.6
190.94341	0.7
191.07123	24.5
192.04320	2.1
192.07451	1.0
193.05063	75.1
194.05380	2.3
207.06613	6.3
209.34911	0.9
217.05019	5.6
220.03766	3.3
227.03577	1.8
235.06105	77.8
236.06464	2.8
247.06062	0.9
255.03090	2.4
265.07159	61.8
266.07568	2.3
284.03308	3.1
285.04044	4.1
295.08212	93.5
296.08441	4.3
300.99658	1.1
337.09381	1.4
355.10422	7.4
398.07523	0.8
422.51913	0.8
431.09689	5.5
457.74091	0.9
467.14407	4.9
467.21341	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	467.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.02038	0.7
57.03458	0.8
57.58694	0.6
58.00587	1.2
59.01378	100.0
61.98830	15.7
64.05589	0.6
67.01894	1.0
69.03445	1.6
69.17355	1.7
69.17758	3.4
71.01379	26.6
72.99309	1.9
73.02944	27.4
80.51527	0.8
81.03463	1.5
83.01396	2.6
85.02946	10.2
85.56757	0.6
87.00883	6.6
87.04531	2.6
89.02444	28.8
90.79276	0.7
93.03461	0.7
95.01390	3.7
97.02963	1.1
101.02442	43.6
103.04008	15.1
107.01389	3.5
109.02959	2.3
113.02455	6.5
115.04008	7.2
119.03491	11.9
123.00890	6.9
124.01682	0.9
125.02447	23.2
127.04006	1.2
131.03513	6.8
137.02448	1.0
139.00398	1.4
139.11266	2.9
141.01933	1.1
143.03496	12.1
145.05061	4.4
151.04088	0.8
154.23607	0.8
157.02994	0.8
161.04581	2.7
163.06120	63.9
166.99876	2.7
168.00557	1.5
169.01440	20.7
173.02473	0.9
179.05647	3.5
181.12419	1.2
183.02971	2.3
183.10265	4.0
191.05621	3.4
199.13441	0.9
201.01936	1.3
203.03448	0.9
205.07178	19.6
211.02519	1.0
225.11377	0.9
229.01521	2.0
243.12364	17.7
247.02344	0.7
255.03053	0.8
258.01645	1.0
261.13498	2.6
265.09283	6.4
273.00360	0.9
273.03021	0.9
275.01978	2.8
285.13406	1.0
298.98361	1.0
299.98990	1.1
300.99911	17.2
316.03387	1.5
391.03049	2.3
391.53516	1.3
392.03809	7.1
392.53778	0.9
405.17752	4.3
407.08026	1.1
407.19193	32.0
408.19949	1.6
424.10614	0.8
466.53763	1.1
467.03815	1.1
467.10022	2.7
467.15854	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01377	100.0
60.01720	1.2
61.81951	1.1
61.98829	16.7
67.05173	1.1
67.44740	1.0
69.03448	1.9
69.21912	7.1
71.01382	23.1
73.02943	24.0
83.01396	2.3
83.65689	1.3
85.02953	8.3
87.00858	5.3
87.04511	3.7
89.02446	26.3
90.02854	1.1
95.01354	1.8
97.02971	1.2
98.22619	1.7
101.02447	43.7
103.04012	16.4
107.01369	1.8
109.02919	1.6
113.02466	6.7
115.04025	9.2
116.04092	1.1
119.03493	9.4
123.00950	2.4
124.01689	1.3
125.02442	11.7
131.03526	7.9
139.11279	2.9
143.03494	12.0
145.05060	4.1
145.61278	1.0
149.02437	1.1
161.04521	1.5
163.06122	62.3
166.99826	1.2
169.01407	12.1
171.23985	1.2
179.05563	3.1
181.12302	1.4
183.10265	3.5
191.05783	1.5
205.07158	20.8
214.52536	1.0
225.11266	1.5
243.12364	22.8
261.13403	3.1
265.09244	6.0
299.99152	1.6
300.99875	7.0
301.02780	1.3
303.03787	1.1
304.03577	1.6
309.58627	1.0
316.03168	1.5
325.11249	1.2
367.61703	1.2
383.52307	1.1
392.03775	3.6
405.17532	5.6
407.07761	1.5
407.19199	36.7
407.24658	1.8
408.19653	2.0
467.09970	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	468.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	57.5
60.01704	3.4
61.98826	67.3
69.03449	2.2
69.36952	7.5
71.01376	9.1
72.01716	2.6
72.99328	1.6
73.02946	18.4
81.03432	1.6
83.01368	1.6
85.02925	7.2
87.00867	2.3
89.02441	13.4
89.87474	1.4
90.02756	1.7
95.01388	4.3
95.05029	1.4
97.02932	2.6
97.06581	5.7
101.02428	17.8
102.02779	2.4
103.04025	5.9
104.04341	2.5
107.01408	7.8
108.02168	2.9
109.02960	15.2
113.02438	4.7
115.04006	4.9
119.03495	4.6
123.00864	8.8
123.04511	10.4
124.01692	4.1
125.02439	55.6
126.02790	1.6
131.03477	2.6
133.02985	2.1
133.28656	1.3
139.11284	14.3
141.01974	1.8
141.05582	5.9
143.03462	2.7
145.02937	2.5
151.00362	2.1
161.02412	8.0
163.06120	18.5
164.06413	7.6
166.99814	4.8
168.00620	3.6
169.01421	70.7
170.01756	4.0
172.01669	1.7
179.03584	1.4
181.12340	7.5
183.10254	17.8
185.02367	1.7
191.03313	1.3
199.13403	2.9
203.03450	1.9
205.07149	7.2
206.07539	1.9
211.02449	3.4
217.01361	1.4
225.11269	5.2
229.01398	6.3
243.12358	100.0
244.12724	5.3
245.00798	2.2
256.03052	1.5
257.00974	2.7
266.09525	2.4
273.00403	1.8
275.01990	12.1
285.13467	5.3
291.01102	1.5
298.98245	2.8
299.99023	11.2
300.96442	3.2
300.99872	54.9
302.00275	6.8
312.48907	1.5
313.05618	3.6
316.03268	7.1
316.53360	3.6
392.03760	26.1
392.53967	9.3
393.04364	2.6
405.17606	26.4
407.18768	1.5
408.19525	10.3
425.01596	1.8
433.11337	6.4
465.06491	2.0
468.04239	1.8
469.05222	1.8
469.17050	20.4
483.07669	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	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
60.01723	0.4
61.01799	0.8
61.98827	100.0
67.01897	0.4
69.03465	0.6
71.01374	1.2
73.11347	0.3
79.01882	0.4
81.03461	0.6
85.02946	0.7
87.00920	0.3
89.02444	0.8
95.01391	1.8
97.02938	0.5
101.02441	0.8
105.16880	0.3
107.01393	1.9
109.02978	1.2
110.03298	0.7
111.00883	0.7
113.02424	0.4
117.02505	0.3
117.03474	0.4
121.02994	0.3
123.00869	3.7
124.01662	0.9
125.02444	17.8
126.02029	0.3
126.02748	1.6
133.02950	0.4
133.05086	0.7
135.04514	0.4
137.02521	0.3
139.00404	0.7
139.51012	0.3
141.01944	0.3
145.02951	1.4
149.02466	0.4
149.09822	0.3
151.00435	0.5
153.01906	0.9
154.02296	0.5
157.02914	0.4
159.04497	0.4
161.02493	0.7
165.01982	0.4
166.99870	0.9
168.00580	0.6
168.11137	0.5
169.01418	21.1
169.11366	0.3
170.01749	3.0
172.01694	1.0
173.02435	1.1
174.02896	0.4
175.04002	1.3
177.01918	0.7
179.03497	0.4
185.02434	0.9
186.82259	0.3
189.01944	0.8
190.02515	0.6
191.03517	1.2
192.03862	0.3
200.01151	0.7
201.01947	1.6
202.02330	0.5
203.03546	1.7
204.03856	0.5
216.00667	0.9
217.01469	1.0
218.02087	0.4
219.03055	0.7
228.00609	1.1
229.01398	2.9
230.01886	1.0
231.03000	0.9
232.03244	0.5
242.99452	0.5
244.00085	1.2
245.00905	1.2
246.01353	0.8
247.02493	1.0
248.03059	0.6
249.04030	1.3
250.04410	0.5
257.00827	1.9
258.01450	1.1
259.02222	0.6
270.98883	1.3
271.99881	0.4
273.00467	1.2
274.00937	0.8
275.01920	5.4
276.02359	2.1
283.99628	0.8
285.00238	0.4
289.07123	0.4
298.98318	3.1
299.99091	8.8
300.02368	0.6
300.99878	31.6
302.00220	9.6
303.00400	1.5
305.05603	0.3
306.05750	0.3
313.05713	0.8
316.03772	0.5
316.07626	1.0
377.53162	0.5
382.52313	0.6
383.03296	0.8
391.03104	4.2
391.53238	15.5
392.03418	7.7
392.53531	1.4
408.22083	0.9
425.01410	1.8
465.06604	0.6
467.53632	3.0
468.03748	0.9
468.09290	1.1
468.54453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
59.44822	0.5
60.47103	0.6
61.98817	1.7
71.01377	0.9
80.37004	0.6
80.91703	0.6
82.95414	4.4
83.05006	0.6
89.02408	0.9
89.90376	0.6
90.95758	0.7
95.01386	1.0
96.96039	1.1
101.02428	0.8
105.91819	0.6
107.01360	1.7
109.02927	1.7
116.02660	0.9
123.00859	1.7
124.01680	0.9
125.02443	10.0
126.02796	1.6
132.02162	1.0
133.05013	0.8
135.04588	0.7
135.58200	0.5
144.02106	1.6
145.02962	0.6
153.01872	0.7
155.75291	0.6
160.01649	1.2
161.02472	0.8
163.04042	1.2
166.99889	1.6
169.01424	11.9
170.01778	2.7
172.01662	7.3
173.02448	1.1
175.04016	0.8
185.02408	1.3
188.01042	0.8
190.02628	1.1
191.03566	1.0
193.76645	0.6
199.00381	0.6
200.01196	3.3
201.01820	2.0
214.83838	0.6
214.99800	1.2
216.00552	5.3
226.99908	1.3
228.00609	6.3
229.01349	3.5
229.04997	5.2
242.99348	2.8
244.00130	7.2
245.00871	1.5
257.00864	2.1
270.98819	11.2
271.06085	4.8
271.99533	7.3
274.01028	0.7
275.01862	1.6
276.02338	1.2
277.02594	1.1
282.98837	4.5
283.99640	2.3
285.00211	1.4
298.98325	28.4
299.99094	100.0
300.99860	81.7
302.00238	9.3
303.00528	4.1
304.00754	1.2
316.53580	0.8
391.53159	1.1
392.03339	2.7
392.53510	8.9
393.04031	2.2
425.01505	21.8
426.01791	1.5
433.11389	2.8
450.99640	0.7
468.54056	1.2
469.17697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
61.46573	0.7
61.50578	0.9
61.98827	9.2
66.59003	0.7
69.40772	3.5
71.01374	2.1
73.02925	1.1
77.47433	0.9
80.91636	0.9
82.95419	29.0
95.01395	2.5
97.02959	0.9
102.24637	0.9
107.01397	2.6
109.02961	2.8
112.24722	0.7
121.02911	1.3
123.00922	4.3
124.01661	1.7
125.02451	19.5
126.02779	3.6
127.02893	0.9
131.03635	0.8
132.02150	1.2
133.02983	1.0
135.04504	2.6
144.02188	2.8
145.02904	1.5
161.02454	1.2
161.07262	1.4
163.03923	1.2
166.99849	2.6
168.00600	1.8
169.01439	26.4
170.01764	4.0
171.01938	1.1
172.01669	8.3
173.02332	1.3
177.01945	1.3
185.02438	3.0
188.01196	1.2
189.06705	1.2
190.02657	0.9
191.03514	1.0
200.01115	4.3
201.01834	2.3
202.02238	0.9
203.03470	1.1
214.99886	1.2
216.00621	5.4
221.81999	1.2
226.99869	1.0
228.00668	6.1
229.01590	5.2
229.05037	30.2
230.01813	0.9
230.05298	1.2
240.65240	1.0
242.99342	2.6
244.00099	7.1
245.00929	1.4
249.03973	1.3
254.99309	1.2
257.00885	2.1
258.01477	1.1
270.98856	13.8
271.06116	33.1
271.09042	1.9
271.99628	8.0
272.06403	1.0
273.00345	1.7
274.00955	1.3
275.01849	2.7
276.02274	1.7
282.98810	5.9
283.99545	2.8
285.78357	0.9
298.98337	27.1
299.99109	100.0
300.99881	94.3
302.00208	13.5
303.00470	4.1
304.00565	1.4
316.03256	1.4
316.53494	2.5
391.53232	1.4
392.03641	4.2
392.53699	12.5
393.04114	4.0
409.14618	1.1
425.01514	22.4
426.01807	1.4
433.11395	15.8
468.54352	3.2
469.00058	1.0
469.18149	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	469.0046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32734	0.6
60.22359	0.7
64.68951	0.6
69.72697	2.0
75.94240	0.7
90.25094	0.7
90.73990	0.7
98.21869	0.7
101.06085	0.6
107.34449	0.7
116.02669	1.1
125.02433	2.0
132.02194	1.2
144.02176	2.6
160.01732	0.9
169.01434	2.2
172.01668	7.9
173.02361	1.3
185.02313	1.2
187.00363	0.8
188.01112	1.0
199.00435	1.3
200.01144	3.0
201.01915	1.7
214.99855	1.3
216.00633	5.4
226.99925	1.8
228.00612	6.8
229.01416	3.1
242.99324	3.2
244.00130	8.6
245.01006	0.9
254.99419	1.1
257.00952	1.2
270.98865	10.9
271.99591	8.5
282.98834	5.7
283.99521	2.4
298.98343	31.4
299.99103	100.0
300.99866	71.7
302.00250	4.2
340.97485	0.7
425.01520	23.5
426.01959	1.6
469.00165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.29791	0.8
61.98827	8.2
62.94542	0.6
66.95936	1.4
69.26157	4.3
71.01385	4.6
73.02955	2.8
82.95415	26.7
85.02973	2.4
88.66996	0.8
89.02447	1.1
95.01385	1.6
97.02921	1.1
98.21883	1.8
101.02460	4.0
107.01397	3.4
108.02177	3.5
109.02956	13.1
113.02472	2.4
123.00885	2.5
125.02450	16.8
126.02819	2.3
132.02191	1.0
133.02959	22.5
135.04517	10.6
139.26627	0.9
145.93846	0.7
149.02435	3.5
151.00375	0.9
156.88455	0.8
160.01755	1.0
161.02446	100.0
162.02800	3.7
163.06206	0.9
169.01430	20.9
170.01773	3.5
171.01987	1.3
172.01608	1.3
177.58241	0.8
179.03485	8.1
183.56108	0.8
185.02406	0.9
192.26401	0.8
200.01102	1.0
201.01984	1.6
214.87434	0.7
216.00720	2.4
221.04440	1.4
228.00597	1.5
229.01465	1.3
243.12325	3.0
244.00188	1.7
244.12772	2.1
270.98837	2.8
271.99655	2.5
275.01941	1.4
280.05923	1.3
282.98727	1.4
298.98398	8.0
299.99103	28.1
300.99878	27.2
302.00250	3.7
305.07037	0.9
316.03268	1.2
316.53458	1.3
323.07614	3.9
392.03909	0.9
392.53925	2.6
393.04504	1.6
406.18085	1.4
425.01462	6.4
433.11392	84.0
434.11862	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	469.1142
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
51.39883	0.7
53.08202	0.7
57.03443	6.1
59.01371	3.3
59.84330	0.7
61.98829	30.7
69.03449	1.2
71.01369	2.1
78.91872	1.0
79.01865	0.7
79.95884	0.7
80.91671	1.1
81.03445	3.1
83.01391	5.4
85.02957	1.3
89.02442	1.1
93.03436	1.8
95.01389	1.6
95.05016	1.7
96.96007	0.9
97.02956	5.4
98.22632	1.4
101.02426	2.2
107.01379	1.0
108.02178	3.6
109.02944	17.5
111.00909	1.7
121.02950	7.2
123.00868	3.4
123.04517	10.9
124.01654	1.8
124.04042	0.8
125.02443	60.0
125.58965	0.7
126.02721	1.4
134.03746	2.2
135.04469	1.0
137.02441	23.0
138.03235	3.8
139.00383	1.1
139.04021	3.8
145.02940	12.5
149.02428	5.9
150.03221	0.9
151.03975	7.8
153.05554	3.8
159.04504	5.3
160.01671	2.6
160.05249	1.1
161.02144	1.4
161.04680	1.5
161.06068	5.1
162.02112	0.9
162.03304	1.3
163.03874	0.7
164.01131	2.8
165.01920	15.1
166.99854	2.7
167.03470	1.6
169.01468	3.5
175.04022	4.0
175.07567	1.7
176.04372	1.1
179.03505	4.5
180.04207	0.8
182.02202	6.6
183.02763	0.9
183.04495	0.9
185.06079	3.3
187.04034	5.1
188.04739	2.8
193.05011	1.4
194.05431	1.0
197.04555	12.2
197.11798	13.6
199.07599	0.9
201.05563	2.3
202.06313	1.6
203.07108	12.0
205.05029	6.9
205.06755	1.1
218.41667	0.8
221.08194	1.5
225.05585	2.9
227.03459	2.9
227.07141	4.4
228.00787	0.9
229.04956	1.4
230.05658	1.0
235.06021	1.0
236.06493	1.7
237.06503	1.7
245.08162	15.3
247.06113	1.1
253.05095	4.8
255.02989	3.0
265.07111	2.0
266.07919	0.7
267.07623	1.1
271.06030	14.3
271.08197	1.1
272.06348	0.8
284.03253	3.9
285.03946	4.1
286.04099	1.0
289.07159	100.0
290.07556	4.8
296.08582	1.7
297.08810	2.7
298.98279	2.6
299.99124	10.7
300.99838	5.9
303.08536	3.4
319.08420	3.8
331.08185	0.9
357.11160	0.9
425.01547	1.8
425.12283	2.0
431.09787	6.4
432.10147	1.1
469.16443	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	469.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
83.10726	0.6
93.49971	0.8
94.06630	5.2
96.33064	0.8
98.33401	0.8
102.73898	0.9
107.03768	8.9
108.55576	0.7
109.45522	0.7
120.05727	0.9
121.05436	0.9
122.06116	36.0
124.07678	2.7
134.06113	2.5
135.08170	4.7
139.02710	1.2
150.25264	0.8
152.07164	66.2
153.07515	1.7
158.09804	0.9
162.05630	5.7
169.01299	1.0
169.05330	0.7
174.01993	3.7
188.07140	5.5
201.07922	1.4
206.04506	1.4
216.10277	23.2
217.10791	1.8
260.09171	1.4
260.09625	1.4
260.12891	21.9
261.13202	1.1
268.09995	0.9
270.98660	1.0
283.75113	0.7
298.98337	2.3
299.99167	7.9
300.99774	5.4
304.11810	1.0
311.10403	1.3
339.09683	5.3
358.23502	0.8
381.18628	1.0
397.21368	0.9
425.01337	2.1
425.16446	2.3
425.21649	6.2
469.19763	100.0
470.20221	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	470.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.3
61.98828	100.0
71.01376	3.4
73.02962	0.9
76.49058	0.6
81.03466	1.5
81.16689	0.6
82.95425	3.0
83.01389	0.7
83.05046	2.1
84.95106	0.7
85.02968	2.3
87.20107	0.7
98.22629	2.0
100.07677	0.7
101.02462	2.2
106.70100	0.6
107.01352	0.9
108.02183	7.6
109.02956	27.9
110.03311	0.9
113.02470	1.7
125.02517	1.6
135.00867	1.1
136.56212	0.7
152.01160	0.9
153.01939	37.4
154.02325	0.7
158.77306	0.6
163.04068	1.1
169.01468	1.3
195.03020	1.4
225.04088	0.9
243.17073	1.2
271.99304	1.5
273.00235	1.0
283.99228	1.0
297.06158	11.2
297.09375	0.9
298.06445	1.0
298.98474	1.0
299.98978	5.6
300.99518	10.8
302.00232	4.9
407.09808	82.7
408.10229	6.0
426.02023	2.0
469.33795	5.4
470.34457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
69.33294	1.3
71.01373	1.4
73.02930	0.6
73.26495	0.2
85.02939	0.7
87.00868	0.3
88.98795	0.5
89.02446	0.6
93.03451	0.5
95.01386	0.3
101.02435	0.9
113.02440	0.3
117.03472	0.4
118.04201	0.3
119.05025	100.0
120.05370	2.4
121.02983	0.3
122.47958	0.3
125.02419	0.3
143.05034	0.4
145.02986	0.4
161.69215	0.3
163.04004	44.7
164.04384	1.2
199.66266	0.3
205.05034	0.5
214.82585	0.3
299.98947	0.9
300.99579	1.7
301.99768	1.9
303.00357	1.3
306.48456	0.2
307.07980	0.4
311.03870	0.3
325.09128	0.4
346.49600	0.3
411.18542	0.5
427.02057	0.5
471.15048	55.9
472.15359	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75595	0.8
55.80652	1.0
59.01375	16.3
61.98829	3.9
69.39625	3.7
71.01379	9.5
71.01738	1.2
85.02942	9.2
87.51150	0.9
89.02446	10.7
95.01396	0.9
99.17553	0.7
101.02468	5.2
104.56719	0.9
108.02155	1.2
109.02948	3.4
111.81312	0.8
113.02446	3.1
117.03496	1.2
119.03489	3.7
125.02422	1.0
129.05577	5.4
132.02196	1.0
133.02960	19.9
134.03751	6.4
135.04521	82.0
136.04810	1.7
137.02403	2.3
139.04019	1.5
143.03511	0.9
144.12970	0.8
148.05298	3.0
149.06070	15.4
157.05057	6.0
161.02440	100.0
162.02797	3.7
169.01370	1.0
175.04044	1.7
177.05560	30.9
178.02745	1.3
179.03493	95.9
179.05470	2.8
180.03793	2.7
203.03488	2.4
221.04536	44.3
222.04886	1.7
245.04716	0.8
251.05583	41.0
252.05914	1.7
274.45081	0.9
281.06653	73.9
282.07007	2.0
299.99094	1.1
300.99689	0.9
301.99567	1.3
309.11935	6.0
323.07687	3.3
341.08752	55.3
342.09122	2.4
449.76071	1.0
471.15076	36.8
472.15289	2.3
487.01590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13318	0.7
56.56151	0.7
56.83594	0.8
57.03445	13.6
59.01376	6.9
61.98817	3.6
69.03452	1.7
69.12704	3.1
69.13123	2.1
71.01378	2.9
71.05012	1.1
73.02950	1.9
81.03439	2.7
83.01382	10.0
85.02943	1.3
89.02438	2.0
93.03447	3.7
95.05012	4.4
96.53841	0.8
97.02956	2.1
101.02420	1.7
109.02955	15.7
109.06633	1.0
111.00871	3.1
113.02483	1.1
117.03454	1.2
118.30526	0.8
119.03506	1.5
121.02910	1.4
123.04529	4.0
125.02443	100.0
126.02769	2.5
135.04541	1.7
137.02441	82.7
137.09673	3.9
138.02730	1.1
139.03989	2.9
145.02939	22.4
146.03720	2.2
149.02434	9.9
151.03975	1.7
151.07579	0.9
151.70987	0.8
153.27969	0.9
155.10773	36.6
156.11124	1.8
158.03777	0.9
159.04501	12.3
161.02397	2.9
161.06084	8.5
165.01854	0.9
170.03758	0.8
173.06013	1.3
175.04021	1.5
175.07675	0.8
179.03502	2.4
183.04527	2.1
184.05223	1.3
185.06110	6.5
187.03975	6.6
188.04822	2.4
191.14458	0.9
197.06226	1.0
199.07918	1.5
199.09750	31.7
201.05536	5.7
202.06516	0.9
203.07118	10.5
205.05086	2.3
209.06023	2.2
209.15549	1.2
211.03964	2.1
221.08151	1.6
225.05458	2.6
227.03525	1.3
227.07144	5.1
229.04974	3.0
230.02127	1.8
230.05605	1.1
233.15456	1.5
245.08141	5.9
247.06210	1.0
253.05049	17.1
254.05420	1.1
271.06094	51.6
272.06400	2.3
289.07166	39.7
290.07465	1.5
291.19577	1.1
321.13431	18.3
322.13626	1.2
333.13406	2.7
343.15552	1.8
401.35965	0.9
427.17645	12.1
428.18292	1.9
471.16531	26.8
471.26126	3.9
472.16742	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	471.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34214	1.9
58.00578	1.9
59.01378	100.0
60.60886	1.9
69.23115	9.2
71.01379	68.5
72.99292	2.2
74.29730	2.1
75.57600	2.0
84.25330	2.0
85.02939	9.7
87.00876	3.0
89.02444	81.4
89.54647	2.2
94.78823	2.0
95.01416	3.9
101.02430	27.5
105.20142	1.9
113.02444	24.4
119.03503	26.8
119.04959	2.5
121.13351	1.9
131.03531	3.6
143.03499	7.5
145.69592	2.0
149.04559	5.0
152.74695	2.2
161.04549	7.2
179.03503	5.4
179.05612	41.9
183.82022	2.1
229.12093	2.2
254.63699	2.0
339.88925	2.5
343.41711	2.0
388.81293	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	471.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.94090	15.0
61.98832	80.7
71.01381	28.8
71.44801	16.5
74.89634	14.5
78.95896	19.0
101.02416	22.4
108.02164	70.7
108.14841	14.0
109.02944	18.9
113.02450	21.4
120.99607	16.2
124.01778	16.5
125.02378	16.3
128.58456	17.4
163.07669	44.1
197.08363	17.3
205.16026	14.6
211.13370	44.3
243.04820	45.6
245.75565	17.2
327.21530	21.5
433.15640	17.9
456.99136	16.7
471.19650	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.8
58.21701	7.8
59.01376	100.0
61.98825	45.3
66.54060	7.1
69.43942	38.4
71.01375	14.5
73.02927	10.8
73.33961	8.2
82.95417	15.3
85.02981	9.3
89.02467	14.9
98.22654	13.9
104.58306	7.9
109.02942	13.2
119.05024	42.9
120.94027	9.5
123.00836	8.6
125.72551	8.5
137.02400	23.6
139.04021	10.6
145.02956	34.4
163.03989	20.7
163.07635	33.8
173.55838	8.0
176.93738	8.2
177.01918	15.2
189.01886	14.6
211.13321	23.1
217.01389	9.5
219.02975	10.3
249.15001	31.5
262.22217	10.3
280.76566	8.3
307.08170	13.0
327.21912	9.4
341.06534	28.8
367.49860	8.3
377.08997	10.1
418.23468	10.5
435.10751	34.4
471.19943	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95449	16.7
58.76128	15.7
59.01381	82.7
61.98818	64.6
65.93725	15.7
71.01388	42.9
85.02960	23.6
89.02445	29.8
98.19819	17.1
101.02454	42.3
108.02168	100.0
109.02960	76.0
119.04984	16.0
139.04095	19.8
152.68854	19.0
156.75079	16.8
169.01527	18.3
211.13426	45.8
217.06746	20.8
217.08745	60.4
234.04294	18.6
276.24292	16.6
300.99670	29.5
471.19943	81.9
471.25790	21.6
495.12912	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51278	1.0
58.98865	0.9
59.01380	80.7
69.32703	5.3
71.01378	19.3
73.02946	34.4
78.91875	1.0
79.57173	1.0
80.91680	3.7
83.01389	1.3
84.95115	5.6
85.00437	2.1
85.02950	8.7
87.00877	33.7
87.04526	3.0
89.01926	1.9
89.02447	29.4
96.11642	1.1
97.02973	1.1
99.04457	1.3
100.99533	1.2
101.02448	60.8
103.04014	25.7
108.02209	2.6
109.02964	2.6
113.02444	3.0
115.04021	11.4
119.03519	14.4
125.02457	3.5
127.03960	1.7
131.03510	9.0
143.03493	10.8
145.05063	8.0
163.06128	100.0
164.06482	2.4
169.01384	2.2
173.10786	1.0
181.31970	1.1
205.07167	30.8
235.08105	1.7
265.09286	9.4
289.09680	1.2
300.99545	1.5
318.02411	1.2
330.87918	1.1
335.88272	1.2
413.08383	2.9
429.17615	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	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
61.98828	100.0
69.49263	0.5
69.49651	0.4
71.01376	0.4
73.02933	0.4
83.01409	0.2
85.02930	0.3
89.95673	0.2
93.08675	0.2
98.22607	0.4
101.02407	0.4
203.77521	0.2
264.15308	0.4
265.15561	0.3
266.15933	0.5
406.96713	0.2
411.21350	0.4
412.21539	1.2
451.81717	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	473.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	0.9
65.63062	0.8
71.01381	3.2
74.87127	1.0
83.01360	1.3
87.00877	3.1
88.98809	2.1
95.01395	1.2
101.02470	1.4
107.01405	5.6
108.02157	7.9
109.02952	14.4
111.00848	1.6
113.02408	1.2
114.73350	0.8
121.23099	0.8
123.00906	4.9
124.01660	16.8
125.02434	1.9
126.65430	1.0
127.00381	1.1
131.71306	1.1
135.04517	1.6
137.02489	1.0
138.03236	2.7
139.00395	2.4
139.03999	13.9
140.01140	2.9
149.00908	1.7
149.09525	0.9
151.00427	0.9
166.99860	1.6
168.00641	17.8
169.01421	4.6
181.01257	1.1
182.02252	1.3
183.02979	50.8
184.03310	2.1
225.04054	1.6
297.06165	1.5
300.99814	1.1
312.04889	2.1
313.05844	1.2
327.07227	12.7
422.08719	4.5
437.10873	100.0
438.11227	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	473.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64092	0.6
55.95054	0.5
59.01381	3.4
61.98827	1.2
66.68335	0.5
69.21239	3.3
71.01360	1.7
71.56719	0.5
78.91880	0.5
80.91669	0.7
82.95410	1.0
89.02419	0.7
96.96009	0.8
101.02428	0.9
108.02158	4.1
109.02928	0.7
111.15701	0.5
117.03477	10.0
119.05041	4.5
124.01612	0.5
125.02467	0.7
133.06598	1.2
135.04466	0.8
136.01677	2.0
137.02496	0.8
138.36110	0.6
145.02946	38.4
146.03319	0.9
151.03935	0.7
152.68396	0.5
161.02438	1.0
161.04854	0.6
161.06059	3.2
162.03189	0.8
163.04019	4.7
164.01131	7.3
166.02711	1.2
169.01434	0.7
177.01881	1.3
178.99831	3.1
183.37053	0.5
186.60519	0.6
187.03978	1.0
190.02751	2.4
192.00638	100.0
193.01331	10.0
194.02165	3.3
205.01465	2.4
205.05028	3.4
206.02234	2.8
207.02971	56.2
208.03345	1.9
219.06360	1.4
221.00822	0.8
222.01688	1.1
233.07851	0.7
234.01660	9.1
237.04112	1.0
249.04054	4.7
265.07147	8.1
267.10593	0.6
296.39111	0.7
309.06052	1.0
311.09317	1.9
312.04846	1.8
327.07169	5.3
346.99258	0.5
458.08838	0.9
473.10529	14.8
474.10767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
59.01378	31.3
71.01382	7.8
73.02936	7.4
75.00861	1.0
79.01868	0.5
81.36583	0.6
83.01369	1.3
85.02943	6.1
87.00863	2.4
87.04499	0.8
89.02428	3.0
93.03463	8.0
93.33129	0.6
95.01385	1.6
97.00417	0.6
101.02438	6.1
103.03996	1.9
104.74960	0.5
109.02933	1.2
113.02457	3.5
115.04015	2.9
117.03437	0.7
119.03537	1.1
119.05027	8.0
120.05395	1.0
121.02953	18.8
121.05719	0.5
121.06596	10.1
122.03270	0.6
123.00879	2.6
125.02460	3.4
129.05562	0.9
131.03485	3.0
135.02963	1.8
139.00294	0.9
141.02031	0.6
143.03484	3.1
145.02991	2.6
145.05025	1.0
147.04523	28.2
148.04889	1.5
161.02481	1.1
161.06133	2.1
163.04022	6.9
163.06102	4.1
164.04324	0.7
164.88737	0.6
165.05562	100.0
166.05977	3.2
166.99820	0.9
169.01456	4.4
181.05005	3.7
191.05582	3.1
191.07167	0.6
205.05159	1.2
205.07141	1.9
207.06757	0.8
223.06209	0.7
229.01277	0.6
235.06061	3.5
253.07127	1.1
265.07126	3.2
275.02094	1.0
283.08234	2.7
298.98230	0.8
300.99875	4.7
327.10938	2.2
437.10471	0.8
443.13336	0.7
473.16608	94.9
474.16953	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01381	10.0
61.20048	1.1
61.98832	7.5
62.88099	1.0
69.19027	2.4
69.19434	2.9
71.01381	3.1
73.02943	5.5
75.59941	1.0
85.02971	1.5
87.04523	5.9
89.02407	1.1
97.02946	1.9
101.02450	9.4
121.10199	1.3
135.08163	2.1
137.09718	19.9
139.11258	1.0
147.11446	0.9
147.26564	1.1
155.10786	100.0
156.11075	2.6
165.09210	2.1
169.01459	1.3
169.12299	4.5
181.08696	4.7
192.04482	1.0
199.09764	95.0
200.10175	2.9
213.11313	4.1
227.03709	1.2
241.10806	20.4
249.71632	1.0
271.11868	4.3
300.99988	2.0
301.09784	1.8
301.12958	19.6
357.00925	1.1
361.15085	9.3
389.38614	1.1
470.05026	1.0
471.51382	1.0
473.20197	7.6
473.26263	1.5
498.67618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2159
Annotation	Terretonin D
Peak:m/z	Relative Intensity
53.15362	10.2
59.01373	45.9
61.98828	100.0
62.18743	11.0
68.94637	9.0
69.28152	49.8
71.01374	27.3
79.54885	8.8
80.40259	8.7
89.02438	15.2
98.22683	17.8
156.33589	13.6
191.90317	9.7
199.88518	9.3
294.02039	9.8
357.41055	10.8
473.21191	55.0
473.27298	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	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03449	0.6
59.01378	100.0
60.01693	0.9
71.01381	9.1
73.02943	3.5
73.81046	0.5
81.41644	0.4
82.95436	0.9
83.01402	1.1
85.02939	4.9
87.00883	0.7
88.02701	0.5
89.02441	4.1
89.36918	0.6
93.68273	0.5
95.01384	0.9
99.00912	1.0
101.02436	9.3
107.01424	0.7
111.00864	0.7
113.02457	4.6
117.03447	2.6
119.03551	1.5
119.05022	4.6
123.00939	1.8
124.01680	1.4
125.02456	2.1
130.14471	0.4
133.06636	0.5
139.00319	0.7
143.03445	0.8
145.02954	11.1
145.04103	0.7
151.00400	1.5
159.03072	1.3
161.04590	10.6
161.06099	2.7
163.03999	7.6
169.01457	1.8
177.05655	1.0
179.05615	0.5
199.09631	0.6
205.05008	4.2
235.06075	4.7
265.07147	10.5
266.07599	0.5
325.09201	3.3
387.50061	0.5
413.21780	17.5
414.21982	1.0
437.14423	2.4
453.37256	0.6
473.20178	11.6
474.20877	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	473.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84608	1.1
67.21217	1.0
68.06805	1.1
69.11360	5.9
69.11768	2.2
83.05032	1.8
96.29790	1.0
98.22687	1.8
121.06585	27.7
133.06602	2.0
133.84709	1.1
149.09708	90.8
150.10112	2.1
163.11246	9.2
205.15982	4.1
253.33270	1.1
297.18594	20.5
298.18997	1.5
311.20145	30.4
312.20569	1.8
323.20142	23.7
324.20633	1.6
457.25168	1.7
473.30621	100.0
474.31131	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	473.3269
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.21776	1.6
61.98820	1.8
69.03441	6.3
106.94069	1.3
107.05022	3.0
109.06588	68.4
110.06941	1.8
123.37134	1.5
141.87230	1.3
160.01764	1.9
175.04051	1.7
291.87772	1.6
317.28647	3.0
355.30145	3.2
357.31580	29.6
358.31897	2.1
359.29904	1.6
385.34857	11.8
411.32764	12.5
429.33725	42.3
430.34244	4.1
473.32748	100.0
474.32986	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	474.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
60.01689	0.3
61.98827	100.0
68.78596	0.3
69.43847	0.9
71.01389	1.4
72.59636	0.3
73.02951	0.9
85.02937	0.3
87.00904	0.4
88.98818	0.5
89.02452	1.1
95.01376	0.5
98.22614	0.5
101.02447	1.6
103.04026	0.8
115.04040	0.3
119.03505	0.3
123.00909	1.1
125.02442	1.7
128.27863	0.3
137.02446	0.7
143.03510	0.3
152.07187	0.3
161.02502	0.3
163.06087	1.7
168.00616	0.4
169.01439	2.5
229.01440	0.4
275.01990	0.9
295.44473	0.3
299.99155	0.7
300.99866	1.8
311.38712	0.3
330.36771	0.3
391.03317	1.0
408.02179	0.3
474.17215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.9
60.90165	0.7
70.70438	0.8
70.70791	0.9
76.24609	0.7
78.95901	8.1
79.58411	0.8
79.88276	0.7
84.25648	0.7
140.01196	2.2
152.99544	1.3
162.83842	0.9
196.03775	1.7
210.34703	0.7
214.04880	3.3
247.98773	0.7
277.21716	100.0
278.22083	5.3
344.25735	0.8
356.25708	0.7
422.80899	0.7
427.41473	0.9
466.03638	0.7
474.26141	11.2
475.26630	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	475.0896
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
59.01073	0.8
59.01377	16.2
61.98826	0.7
63.02401	0.5
65.00320	1.3
69.90086	0.4
69.90413	0.8
71.01376	2.1
73.02930	0.7
85.02962	0.7
87.00856	0.3
89.02444	1.1
91.01906	0.6
95.01422	0.6
98.22600	0.4
99.74842	0.4
101.02438	1.7
107.01402	1.8
108.01469	0.4
108.02145	2.0
108.33335	0.3
109.02962	1.0
113.02442	0.6
117.03439	1.4
119.03551	0.6
119.05031	3.9
121.02929	0.8
123.00866	1.6
124.01622	0.4
125.02447	1.7
133.06531	0.6
135.00874	0.8
145.02948	7.2
148.01663	2.0
148.38423	0.4
151.00365	5.6
151.01532	0.5
157.39769	0.4
159.03104	0.4
159.04425	0.6
161.04681	0.8
161.06073	2.2
163.00374	1.4
163.03995	4.3
164.01125	0.9
164.04329	0.4
177.05568	0.5
178.99884	4.4
187.04008	0.9
199.03960	1.1
203.03581	0.6
205.05002	3.0
211.03958	0.8
213.01918	0.5
215.03481	0.7
226.02707	1.4
227.03487	2.4
227.30324	0.4
235.06110	3.5
243.02951	10.7
243.29840	0.4
244.03224	0.7
245.04520	0.9
247.02440	0.4
254.02191	2.4
255.02968	23.9
256.03363	1.1
265.07156	5.9
266.07391	0.7
267.07657	0.5
271.02469	56.3
272.02927	4.6
275.01868	0.5
283.02463	0.8
289.07205	0.5
299.01904	1.2
300.02737	100.0
301.00031	1.2
301.03418	21.3
302.03894	0.5
313.00137	0.4
325.09265	2.2
391.02924	0.8
415.23404	2.8
433.07770	0.7
437.14743	2.7
457.08002	0.6
475.08771	48.5
476.09250	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	475.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.6
61.81722	0.5
68.51636	0.6
69.49406	1.2
69.49796	1.6
71.01378	12.2
72.99305	3.7
85.02950	2.0
87.00877	0.8
89.02441	3.1
91.63268	0.6
107.36027	0.6
115.00371	39.3
132.06647	1.6
132.94658	1.3
133.01428	100.0
134.01773	2.0
191.05621	22.5
341.10861	1.6
377.08453	1.1
420.93478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.6
61.81722	0.5
68.51636	0.6
69.49406	1.2
69.49796	1.6
71.01378	12.2
72.99305	3.7
85.02950	2.0
87.00877	0.8
89.02441	3.1
91.63268	0.6
107.36027	0.6
115.00371	39.3
132.06647	1.6
132.94658	1.3
133.01428	100.0
134.01773	2.0
191.05621	22.5
341.10861	1.6
377.08453	1.1
420.93478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26092	0.6
59.01381	6.6
60.29853	0.7
69.36891	3.0
71.01383	1.6
78.85699	0.6
83.01418	0.8
85.02951	2.1
88.98785	1.3
89.02449	1.6
95.01384	2.9
101.02435	0.8
107.01395	7.8
111.00867	0.8
113.02456	1.1
119.03522	0.7
123.00867	6.9
124.01667	10.4
125.02468	12.2
127.00394	0.8
129.05595	1.0
136.98831	0.9
138.03244	6.6
139.00380	2.5
139.04018	9.3
140.01192	0.8
141.01945	1.4
143.56526	0.6
166.02702	1.5
166.99855	9.7
168.00639	13.1
169.01436	17.6
182.02266	6.4
183.02986	34.8
184.03384	0.7
191.03531	0.8
197.04564	1.4
210.01697	14.8
211.02484	23.4
225.04050	68.6
226.04356	1.5
245.58682	0.6
249.03983	0.8
255.05058	2.7
270.03757	1.4
271.04596	33.2
272.04825	2.0
275.02112	1.6
285.06158	100.0
286.06488	4.4
300.99976	3.8
315.52667	0.8
331.06781	6.5
334.16119	0.8
345.08237	7.9
382.02313	0.7
391.03134	1.3
391.53519	1.3
392.03876	2.1
475.14560	19.2
476.15042	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	475.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.2
61.98820	1.1
71.01380	4.4
73.02940	1.0
75.43780	0.4
81.03441	0.8
85.02922	2.5
89.02448	0.8
93.03463	0.7
95.01364	1.2
96.02054	0.4
101.02446	1.8
107.05016	0.9
107.87112	0.6
108.02171	100.0
109.02961	33.2
110.03246	0.6
113.02450	1.2
117.03465	14.6
119.05023	27.1
120.00881	0.4
120.05324	0.8
121.02956	1.8
123.00877	2.1
123.04551	2.0
125.02451	1.6
133.02959	1.6
134.03754	0.8
139.93753	0.4
143.04977	0.5
145.02950	88.5
146.03291	2.9
151.03984	5.2
161.04575	0.6
161.06152	0.7
163.04013	7.0
169.01392	0.8
179.05676	0.7
191.03461	1.1
205.05069	0.5
218.86757	0.5
221.08173	26.5
222.08543	1.2
258.34875	0.4
263.09259	0.7
265.06912	0.4
270.99042	0.5
271.02377	0.8
300.02676	1.5
300.99875	1.5
303.30527	0.5
305.10223	0.7
307.08209	7.6
312.99841	1.0
328.02118	0.7
391.02808	1.1
417.11884	67.2
418.12198	4.4
470.04172	0.4
475.09131	1.2
475.16000	11.6
476.16138	1.0
495.45233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17091	1.2
55.01865	1.0
56.64679	1.1
57.03440	1.6
58.56344	1.0
59.01378	100.0
61.57719	1.1
69.03459	4.6
69.25302	6.0
71.01381	39.5
72.00908	1.2
72.99285	2.6
73.02951	19.4
80.22571	1.0
81.03454	5.1
83.01379	5.3
85.02953	16.5
87.00881	2.7
88.98802	2.2
89.02444	26.3
95.01398	2.9
97.02979	9.2
98.22610	2.0
98.69294	1.2
99.00913	1.5
101.02435	35.7
103.04010	32.0
107.05030	17.2
113.02438	3.6
115.04003	1.4
119.03505	14.4
123.00867	1.7
125.02439	33.1
127.04037	2.6
134.72951	1.1
140.15744	1.1
143.03496	3.9
145.05064	4.7
151.09647	1.1
163.06128	34.0
167.12375	1.2
169.01407	2.0
172.81924	1.2
205.07225	2.2
230.29037	1.4
247.08255	7.3
269.10382	2.4
289.09427	2.1
300.99805	3.6
307.10330	41.7
308.10770	2.3
415.16141	8.9
445.51483	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.5
59.38151	0.4
61.98808	0.4
68.61327	0.4
78.95897	5.8
140.01195	2.2
152.99596	0.4
155.70422	0.4
172.09743	0.3
196.03796	0.9
209.93718	0.3
214.04860	2.7
261.22183	0.4
278.85156	0.4
279.23285	100.0
280.23639	4.7
305.90601	0.4
476.27747	11.5
477.06812	0.8
477.28076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.22155	0.6
61.98819	0.9
68.42808	0.5
69.75962	1.8
72.52161	0.5
78.95901	24.7
98.37003	0.6
106.15615	0.7
122.00111	1.4
138.61559	0.6
140.01212	5.5
152.99603	2.4
166.02737	0.7
173.34767	0.5
181.04745	0.5
181.51785	0.6
196.03796	9.5
207.26859	0.6
214.04872	2.6
270.98978	0.6
279.23288	100.0
280.23642	4.7
286.99622	0.6
298.98199	1.3
314.00620	1.2
414.14679	0.6
476.27808	33.1
476.34094	1.3
477.06943	1.7
477.28064	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	477.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03051	0.5
54.35855	0.4
59.01381	1.6
61.98827	3.1
68.43682	0.4
69.53683	0.7
69.54076	1.3
71.01389	1.4
73.02951	0.4
83.01350	0.6
85.02976	0.5
91.61790	0.4
92.93313	0.4
98.21868	0.9
101.02480	0.9
125.02457	0.7
141.48869	0.4
161.04572	0.8
174.03273	0.5
187.93063	0.5
214.02663	0.7
214.99933	0.5
241.01303	0.5
242.02153	0.7
242.99361	2.8
244.00212	0.6
258.01700	5.2
269.10211	0.6
270.10925	0.5
270.98834	47.4
271.10770	0.9
271.99103	2.7
283.99615	6.8
285.00385	15.4
286.01147	8.7
297.00281	1.6
298.00998	0.6
298.98318	71.8
299.98953	8.6
300.99860	0.9
312.99878	23.7
314.00662	73.6
315.01086	5.3
416.16428	0.8
417.16760	2.4
445.04407	0.5
477.06705	100.0
478.07059	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	477.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35229	0.7
62.69144	0.5
75.68487	0.5
88.07484	0.5
98.22672	1.4
155.10797	0.7
165.75060	0.5
182.56969	0.7
187.61250	0.6
200.01111	0.6
216.00604	1.3
242.99329	2.5
244.00111	1.1
270.98831	22.3
271.99173	2.0
282.98611	0.6
298.98315	24.2
299.99094	100.0
300.99542	5.5
312.99902	2.0
314.00662	18.3
314.04395	0.9
315.01453	69.0
316.01691	4.0
328.99442	1.0
373.61188	0.7
425.85629	0.6
477.06720	44.0
478.07184	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	477.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34846	0.4
57.03202	0.6
57.03450	6.2
59.01361	1.7
62.64912	0.4
65.00328	4.8
69.28928	2.5
71.01386	1.3
73.02948	0.9
81.03435	1.0
83.01385	6.2
85.02946	0.7
101.02406	0.6
107.01377	9.8
108.02157	1.3
109.02932	1.0
123.00857	0.6
124.01661	3.6
125.02445	54.9
125.23357	0.5
126.02744	1.1
149.02419	0.7
149.99590	1.3
151.00371	42.8
152.00842	0.8
161.04349	0.5
167.03436	0.6
168.00635	5.4
169.01439	5.2
175.00320	1.4
193.01402	2.2
235.02516	1.0
292.19766	0.5
339.07153	0.7
417.14020	1.1
445.07523	0.5
459.11490	1.6
477.12479	100.0
478.12891	5.5
497.68250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1401
Annotation	Pilosidine
Peak:m/z	Relative Intensity
60.75186	0.6
67.70764	0.7
69.45921	2.9
71.01379	7.5
73.02927	1.6
83.01357	0.9
85.02950	3.4
91.01891	1.6
93.03433	1.3
95.01347	0.7
98.22614	1.4
99.00936	0.8
101.02423	3.1
108.01458	1.2
108.02171	21.7
109.02953	27.3
113.02425	3.1
119.01391	5.0
121.02978	3.3
123.00846	1.6
124.01625	1.2
125.02467	4.5
134.03719	1.2
135.04526	2.7
137.02394	1.1
147.00868	5.0
148.01720	0.8
149.02443	12.5
149.99561	1.0
150.03195	2.8
151.03923	1.0
163.03999	3.2
164.04807	11.5
165.01933	1.3
165.05475	1.1
168.00630	2.6
169.01395	5.4
175.00360	35.1
176.01094	6.5
179.07137	1.5
189.01996	1.4
190.02710	100.0
191.03452	14.2
194.02190	1.2
205.05046	94.6
206.05377	3.9
208.03780	1.3
209.04486	3.4
223.06123	9.1
298.98355	1.0
314.00516	1.1
329.36075	0.7
331.69855	0.7
336.74405	0.6
337.09280	1.7
352.08054	0.8
353.08765	3.6
367.10355	18.0
368.10471	0.8
370.33978	0.6
462.11624	3.0
477.14059	86.9
478.14651	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	477.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46980	0.4
59.01369	2.5
61.98829	2.4
64.14571	0.4
69.16032	2.4
69.16447	0.9
71.01385	1.7
73.02940	0.7
73.26387	0.4
83.58200	0.5
85.02962	0.7
89.02432	1.0
91.05521	1.1
93.03474	0.8
93.42606	0.4
94.76433	0.4
95.04930	0.4
101.02436	1.5
104.81886	0.5
107.05031	0.6
108.02154	0.7
109.02954	1.3
113.02424	0.6
117.03481	0.8
119.04994	0.8
123.00887	1.9
124.01661	4.5
125.02438	11.9
131.04990	0.5
132.05783	0.8
133.06595	41.2
134.06903	1.4
135.04523	25.3
137.02443	2.5
145.02930	1.5
145.22711	0.4
145.50443	0.5
148.01662	4.1
149.02379	0.5
149.06075	1.8
150.22493	0.5
151.04012	1.1
152.04793	1.9
153.05553	1.3
159.04492	1.6
161.02376	1.3
161.56984	0.4
162.03250	4.4
163.04005	100.0
164.04320	3.2
167.10774	2.1
168.11151	1.0
169.01302	0.5
177.05569	7.6
180.04243	0.6
181.05098	2.7
190.02798	1.0
192.00537	1.0
203.03381	0.6
205.05067	4.0
211.02890	0.5
270.98798	4.8
285.00220	0.9
286.01178	0.6
287.07742	3.1
296.10535	1.4
297.11514	2.4
298.98340	7.2
299.99078	3.3
312.99939	1.5
314.00671	6.1
315.01401	2.0
339.12280	1.9
459.16571	6.2
460.16861	1.1
477.06708	12.0
477.30219	0.8
478.07281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.8
61.98817	4.1
62.18763	0.8
69.36123	2.5
69.36530	1.9
69.97288	0.8
71.01379	7.9
73.02940	1.5
81.03435	1.1
83.01360	1.3
85.02947	3.4
89.02433	2.7
91.05554	0.9
95.01360	2.2
101.02437	4.3
107.05061	1.0
108.02181	6.5
109.02957	20.4
111.23658	0.9
113.02437	3.4
117.03429	1.2
119.03564	1.0
119.05042	0.9
123.00870	3.9
124.01678	4.9
124.02380	0.8
125.01534	1.2
125.02436	18.8
131.61330	0.9
133.06587	45.0
135.04529	25.5
135.11783	4.6
137.02422	1.8
143.03453	1.1
145.02988	1.9
148.01643	4.2
149.06042	3.7
152.04768	1.7
161.02446	2.1
161.04536	3.7
161.05739	0.9
162.03201	5.1
163.04002	100.0
164.04353	2.8
165.04082	0.9
166.99832	1.9
167.10683	1.5
168.11194	1.4
169.11194	1.0
177.05551	7.1
179.10727	4.2
180.04372	0.9
181.05093	2.2
190.02736	2.2
192.00609	1.7
193.17198	0.8
202.64203	1.2
205.05081	2.8
221.00816	1.2
270.98770	7.7
283.99667	1.4
285.00339	2.0
287.07709	4.6
296.10541	2.1
297.11279	2.9
298.98312	13.5
299.99081	6.4
312.99866	4.0
314.00644	10.9
315.01437	4.2
339.12256	1.7
417.24835	3.2
459.16550	6.2
477.06696	25.6
477.17014	4.4
477.30783	1.1
478.07001	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00566	1.0
59.01376	100.0
61.98834	6.4
69.41959	3.2
71.01379	31.1
73.02929	1.9
82.95411	1.0
83.01385	1.4
84.95136	1.1
85.02954	6.1
87.00876	4.1
87.04553	1.0
89.02440	40.5
93.31773	0.7
95.01414	1.9
98.21825	1.5
101.02438	18.0
109.02953	1.1
113.02448	14.4
119.03501	19.7
121.02879	0.9
123.00880	2.7
125.02476	1.9
131.03462	2.7
137.02420	1.0
143.03470	4.6
144.25624	0.8
149.04541	1.6
161.04523	6.4
166.99883	1.9
169.01431	3.1
179.05598	16.5
190.99779	1.4
192.00653	2.9
197.11201	0.9
221.00870	1.9
242.99243	1.2
269.17603	2.7
270.98807	10.5
283.99677	1.2
285.00302	2.4
286.01031	1.4
298.98331	15.5
299.99030	9.3
312.99823	4.2
314.00681	13.4
315.01447	7.4
315.08868	2.6
359.21606	0.8
375.27267	1.4
417.25015	34.4
418.25058	2.0
477.06754	32.5
477.13644	1.9
477.26721	2.2
478.07074	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.50508	1.1
61.98822	9.5
64.98611	1.0
66.39570	1.1
69.09905	8.3
69.77737	1.1
71.01379	32.4
73.02937	2.4
75.00876	1.4
82.95380	1.5
85.02935	6.5
87.00853	2.7
89.02442	42.6
95.01395	2.3
98.21769	2.1
101.02445	21.4
109.02943	2.4
113.02449	14.6
119.03492	21.9
123.00891	1.3
125.02419	1.3
131.03473	2.3
143.03484	3.5
149.04552	1.8
161.04550	6.1
169.01398	1.2
179.05598	11.7
190.74535	1.5
192.00679	3.3
196.60347	1.2
270.98846	8.7
286.01123	1.6
298.98251	13.2
299.99014	8.9
312.99850	3.3
314.00629	11.9
315.01550	8.4
417.24948	51.3
418.25333	4.5
477.06659	25.4
477.26328	1.9
478.07236	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.2
57.03448	2.4
59.01379	100.0
61.98831	6.3
63.71687	1.0
64.56631	0.9
71.01382	46.8
71.38947	1.0
73.02945	11.5
83.01395	5.3
85.02950	16.2
87.00883	2.7
87.04519	1.0
89.02447	23.9
94.97730	0.8
95.01399	4.4
97.02969	2.2
99.00892	3.3
101.02446	36.1
108.02170	3.4
109.02955	12.6
113.02455	18.9
114.91904	0.9
119.03510	12.6
123.00904	2.5
125.02456	3.4
126.09909	0.9
131.03484	2.6
133.06598	2.5
135.04543	1.7
135.11810	2.2
142.99297	1.2
143.03506	3.2
149.04587	1.3
150.58415	0.8
159.03008	2.9
161.04562	27.3
163.03951	4.7
166.99881	1.2
169.01436	1.1
179.05583	6.9
179.10857	1.3
190.99843	1.7
192.00697	2.0
211.10374	1.0
221.00912	1.0
255.19769	1.9
270.98892	7.7
283.99557	1.0
285.00247	1.8
286.01031	1.5
298.98349	12.0
299.99008	5.4
312.99988	4.2
314.00699	11.6
315.01318	5.1
417.24945	57.5
418.25314	4.1
477.06683	22.9
477.29736	0.9
478.07098	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	478.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
60.17976	0.2
61.98827	100.0
69.33630	1.0
69.34007	0.4
71.01382	0.7
73.02954	0.5
83.01385	0.4
85.02968	0.5
89.02455	0.3
93.19866	0.2
101.02445	0.8
102.44698	0.2
103.02831	0.3
113.02429	0.4
120.89760	0.2
123.00925	0.3
124.01647	0.4
125.02445	2.3
126.86297	0.2
134.58134	0.2
151.00320	0.3
157.49585	0.3
158.18251	0.2
163.04956	0.3
168.00575	0.3
169.01448	2.6
186.67123	0.2
190.02884	0.4
192.00664	2.2
193.01373	0.9
194.02190	0.3
206.02216	0.5
207.02992	1.0
211.02307	0.2
233.59660	0.2
234.01692	1.0
242.74013	0.2
249.04001	0.5
259.02148	0.3
270.10596	0.7
270.98828	1.5
271.04675	0.3
271.10999	0.4
271.99161	2.7
272.11227	0.5
285.00125	1.1
286.00903	1.2
287.01636	0.5
298.98328	3.3
299.01910	0.6
299.98666	4.9
300.99210	0.6
312.04959	0.2
312.99805	0.6
314.00455	3.8
315.00983	4.8
316.01703	0.3
327.07172	0.3
416.16412	0.5
417.16580	0.6
418.16809	2.2
478.07034	12.8
479.08163	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	478.9515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68874	1.5
59.01109	2.4
59.01379	27.7
69.21992	7.5
69.22402	3.0
72.04615	1.5
75.00910	1.6
78.95887	3.4
79.95741	4.1
92.58499	1.6
96.96008	100.0
98.22613	2.8
98.95600	6.9
98.96448	2.1
134.96083	3.4
136.94034	14.4
137.94034	1.7
152.91760	24.5
162.22388	1.6
163.02431	1.5
174.99222	1.7
178.95067	28.5
178.96623	1.1
180.91307	1.7
182.95128	1.5
184.97003	1.5
194.92818	17.9
208.88383	11.2
208.90118	2.0
210.92282	2.6
217.00357	3.0
222.92192	2.8
226.88510	4.2
232.88037	1.7
238.87840	5.6
240.87563	1.6
248.87775	2.3
250.88611	1.7
254.85255	33.7
254.87895	3.2
255.85327	5.5
256.85007	14.5
260.87762	2.3
266.88849	3.0
270.83032	20.9
270.94464	9.3
288.83246	12.2
292.94864	2.9
294.92862	4.2
308.89911	11.9
312.31451	1.8
316.89780	4.4
320.96155	3.5
330.84167	1.8
336.93982	47.9
349.79736	2.0
376.85837	2.0
379.77032	2.3
380.77155	6.1
380.88977	5.4
395.85614	1.6
396.86615	4.5
398.28601	1.9
398.78152	4.8
406.86646	7.8
407.28436	2.5
407.78821	7.9
429.75891	6.1
478.70166	4.1
478.84772	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	479.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34504	0.6
69.03439	1.0
69.13952	1.1
69.14352	2.4
69.66693	0.5
79.01907	0.7
81.03437	0.8
95.01391	1.4
97.02966	0.9
107.01379	3.7
109.62601	0.6
121.02985	0.6
123.00886	6.3
124.01663	6.1
125.02451	41.7
126.02837	0.9
127.00365	0.5
138.03210	0.7
139.00395	1.3
140.01117	1.1
141.01939	1.5
145.02960	0.5
150.03258	1.1
151.00337	1.8
152.01089	0.7
159.43646	0.6
161.02428	2.3
162.03204	2.2
164.01141	1.5
165.01804	0.6
166.02679	1.9
167.03380	0.7
168.00606	3.8
169.01424	53.6
170.01773	0.8
177.01883	1.6
178.02658	2.0
178.99863	0.7
189.01958	1.1
190.02730	8.6
191.03439	0.8
192.00655	30.7
193.01396	12.2
194.02203	6.9
205.01405	3.5
205.04997	1.1
206.02226	4.9
207.02989	9.1
211.02454	2.7
217.01436	0.7
220.03763	0.7
221.01044	0.8
222.01686	3.9
234.01695	21.4
235.02347	1.8
237.04007	1.6
245.00955	0.9
246.01620	2.1
249.04059	12.0
250.04163	0.6
271.04669	3.2
294.03824	2.3
309.06168	4.0
312.04861	6.5
327.07272	5.6
479.08261	100.0
480.08453	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05841	1.1
55.60532	0.8
61.88656	0.9
63.50271	0.9
64.15598	0.8
68.28662	1.0
69.23483	5.2
105.03455	1.0
107.01398	1.9
109.02932	1.4
111.00886	1.3
121.02946	3.6
123.00885	5.7
124.01655	8.5
125.02446	14.4
136.01620	1.5
137.02484	2.5
138.03252	1.4
139.00372	1.2
139.04048	0.9
140.01204	1.2
149.02435	4.8
151.00392	1.1
151.03999	1.9
152.01175	1.6
161.02464	2.6
162.03230	1.0
163.03922	1.3
164.01170	7.1
165.01912	6.1
166.02679	3.3
167.03505	1.3
168.00630	4.7
169.01424	12.6
173.02319	1.1
177.01920	1.7
178.02715	2.1
179.03505	1.5
183.02985	1.4
189.01999	1.4
190.02693	3.5
191.03470	2.6
192.00642	66.6
192.29396	1.0
193.01407	92.3
194.02155	7.7
195.02884	1.5
205.01385	4.6
206.02223	3.1
207.02968	19.6
211.02473	10.7
221.00914	2.7
222.01643	2.8
223.02394	1.9
234.01709	10.7
235.02461	10.3
237.03966	1.6
249.04066	4.0
271.04605	3.7
295.04251	1.5
312.04785	6.6
313.05634	8.3
327.07196	5.2
459.85339	1.0
464.06094	2.0
479.08307	100.0
480.08514	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	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53778	0.9
62.83501	0.8
69.13802	4.5
69.14123	1.2
86.17886	0.8
92.84117	0.7
93.42952	0.8
95.01378	1.1
97.02966	1.3
107.01396	3.2
123.00873	6.7
124.01688	7.0
125.02450	40.5
139.00368	0.8
151.00388	2.5
159.26450	0.9
161.02415	2.8
162.03275	2.4
164.01169	1.2
166.02725	2.6
166.99895	1.0
168.00688	1.6
169.01431	54.3
170.01712	1.2
177.01949	1.3
178.02740	1.8
189.02008	1.2
190.02731	6.7
191.98901	1.6
192.00642	27.5
193.01434	10.2
194.02225	6.0
195.98468	0.8
205.01440	3.0
206.02232	5.1
207.02995	9.0
211.02463	2.3
221.00916	1.6
221.04448	0.9
222.01729	3.3
234.01703	17.5
235.02431	1.8
237.04121	1.8
245.00859	0.8
246.01515	1.9
249.04031	15.1
252.23349	0.8
271.04608	2.3
294.03769	1.8
309.06326	3.8
312.04922	7.1
327.07144	4.2
418.30905	1.1
464.06009	1.1
479.08328	100.0
480.08704	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	479.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28114	0.3
55.01859	0.3
57.03436	0.7
59.01379	4.0
61.98824	1.8
66.54604	0.3
68.99805	0.6
69.03431	0.9
69.28602	1.4
71.01012	0.4
71.01382	4.4
73.02941	4.5
74.28305	0.3
76.20818	0.3
78.95890	0.4
81.03454	2.1
83.01383	1.7
83.04979	0.3
85.02940	5.2
85.72423	0.4
87.00904	0.4
87.04530	2.9
87.20975	0.3
89.02450	0.4
93.03448	0.5
95.01388	3.7
95.04998	0.9
97.02952	1.6
99.00889	0.6
101.02438	2.8
104.72444	0.3
107.01398	0.4
107.05033	0.8
108.02172	55.3
109.02951	100.0
109.06602	1.1
110.03295	2.2
111.00899	0.4
111.04503	0.7
113.02447	1.3
113.06098	0.9
119.05088	0.5
121.02979	1.1
121.06580	0.6
123.00872	3.3
123.04520	2.5
124.01664	0.9
124.04565	0.3
125.02451	3.0
133.02942	0.7
133.06586	0.4
135.04530	0.9
137.02473	0.6
137.06107	0.5
140.20537	0.3
149.02441	0.5
151.04002	2.2
152.99658	0.6
159.03050	0.5
161.02412	0.4
161.04588	1.4
161.09763	0.4
163.04041	1.1
163.11296	3.6
164.01204	1.0
165.01968	0.9
167.03433	0.4
168.00685	0.9
169.01414	3.0
173.06129	0.9
175.04042	0.4
175.07611	0.4
177.01939	0.4
181.12335	28.6
182.12720	0.9
190.02765	1.1
192.00638	8.5
193.01395	12.0
193.05139	0.6
194.02113	1.1
201.05598	1.1
205.01393	0.7
205.12451	0.8
206.02141	0.4
207.02991	2.2
207.10374	1.4
211.02391	1.8
217.12503	0.4
219.06714	0.9
219.13974	0.7
220.07484	0.4
221.11858	0.5
225.11313	13.1
231.10220	2.3
234.01680	1.5
235.02577	1.1
239.12984	0.5
247.13399	0.7
249.04099	0.5
249.11275	3.1
263.12952	1.9
267.12381	2.1
271.04733	0.9
271.13409	0.4
279.12622	0.4
279.99457	0.8
280.99838	0.5
281.13992	0.5
281.99112	0.7
291.12378	5.8
309.13419	5.3
312.05096	1.3
313.05502	1.5
317.14221	0.6
325.16751	0.5
327.07339	0.7
369.15356	1.8
371.78964	0.3
461.18594	1.3
479.08652	19.2
479.19156	61.5
479.32877	2.5
480.09045	1.3
480.19556	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	479.3378
Annotation	SCHEMBL10014310
Peak:m/z	Relative Intensity
71.01366	1.5
89.81675	1.3
117.74757	1.1
125.02480	1.7
164.01003	1.1
165.01900	1.3
169.01384	2.1
183.19983	1.4
192.00613	5.1
193.01541	6.1
207.02963	2.4
234.01608	1.3
244.31189	1.3
322.59366	1.2
341.28400	6.3
343.29993	46.5
344.30341	4.2
345.31647	24.4
346.31628	1.7
357.31808	1.3
373.34741	11.9
377.30392	1.3
417.33722	39.1
418.34064	3.0
479.08200	11.6
479.33743	100.0
480.08463	1.6
480.34140	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	480.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.4
61.98829	100.0
71.01382	1.7
71.44569	0.8
72.09602	0.6
75.00864	0.9
85.02950	0.7
86.23647	0.7
87.00906	0.7
88.98839	2.0
89.02454	1.2
101.02458	1.7
113.02433	0.7
123.00896	1.7
124.01724	0.8
125.02483	2.6
126.02874	0.7
135.31007	0.5
136.01550	0.6
137.02522	1.1
161.02606	0.7
164.01035	0.6
165.01930	0.9
168.00690	0.8
169.01430	2.8
170.01759	0.9
181.01315	0.8
191.03198	0.7
192.00665	6.8
193.01295	9.1
194.01768	6.0
207.02943	1.5
208.03452	0.8
211.02539	1.3
227.03534	8.5
229.05022	0.9
234.01807	1.1
235.02316	1.1
255.02972	14.8
255.19464	0.7
256.03625	1.0
260.72696	0.7
271.04654	1.5
275.02051	0.7
284.03229	20.7
285.04016	11.8
291.69266	0.7
301.00040	2.7
313.05594	1.5
314.05896	0.9
328.07675	0.7
417.08279	28.8
418.08716	1.4
479.25266	2.3
480.08676	18.1
480.24802	0.9
481.06992	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	480.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44201	0.2
51.52891	0.2
59.01378	0.6
60.91920	0.2
61.98828	100.0
64.98169	0.2
69.33071	0.8
71.01389	0.2
81.03339	0.2
89.02466	0.2
101.02451	0.3
112.17511	0.2
125.02443	0.9
126.02786	0.3
145.02965	0.8
163.03964	0.2
169.01425	0.6
170.01787	0.2
192.00639	1.0
193.01259	1.9
194.01733	1.3
207.03038	0.5
211.02527	0.2
212.03020	0.2
212.04956	0.2
235.02333	0.3
275.01959	0.3
300.99948	0.6
313.05426	0.3
347.85693	0.2
390.75992	0.2
417.12146	0.5
480.08649	4.0
480.15503	0.3
481.07285	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	480.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.4
58.69768	3.2
59.01370	13.9
59.47854	3.0
61.98828	100.0
69.03463	4.1
69.28930	12.8
69.29334	7.9
71.01382	19.7
73.02956	5.1
83.01361	3.6
85.02924	9.8
95.01372	4.4
95.05806	3.2
97.15276	4.2
101.02436	11.6
101.26755	3.1
108.02142	11.3
109.02957	44.3
113.02459	10.0
119.07879	4.2
125.02435	15.2
139.11269	11.7
161.04616	20.3
164.38095	3.4
166.05066	3.9
168.00572	5.4
169.01395	12.9
170.01740	6.2
172.04530	3.8
177.01944	6.1
183.10271	52.8
192.00668	29.5
193.01286	44.1
194.01714	25.7
207.02782	8.5
211.02487	4.3
235.02321	4.2
271.08197	4.2
275.01962	11.4
300.99780	17.8
313.05551	5.6
346.91467	3.7
417.21133	10.7
480.08612	75.3
481.06854	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	480.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
59.01373	15.9
61.98826	100.0
64.62957	3.7
69.03439	3.6
71.01382	21.6
71.45176	4.4
72.41567	3.4
73.02946	8.0
78.60989	3.3
83.01380	4.6
85.02946	6.0
85.40325	3.3
93.03542	3.5
95.58313	3.2
101.02446	12.3
108.02184	25.2
109.02969	50.5
113.02457	9.4
123.00870	8.0
125.02441	10.3
137.02463	4.2
139.11298	8.9
161.04558	21.7
165.01740	5.4
166.05037	3.6
169.01425	7.0
177.01830	5.6
183.10242	52.6
192.00630	32.9
193.01263	51.6
194.01776	25.4
195.02559	4.1
203.03542	3.4
207.02895	9.9
208.03368	4.7
211.02472	4.6
229.01529	3.7
235.02145	7.3
271.08252	4.9
272.05023	4.4
275.01941	9.8
283.02417	7.0
285.04202	4.8
300.99954	22.9
313.05444	9.5
417.21405	12.9
480.08591	94.0
481.06168	19.9
496.33307	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03456	1.5
59.01382	22.1
61.98813	1.6
69.40859	2.0
69.41272	4.3
71.01376	18.5
73.02947	13.1
83.01392	11.4
85.02954	14.6
89.02440	2.9
98.22629	2.6
99.00863	3.8
99.21270	1.2
101.02441	31.0
113.02453	10.5
125.02438	2.0
143.03528	1.1
153.33319	1.0
159.03006	2.4
161.04572	8.4
162.25034	1.1
291.18127	56.7
292.18356	1.4
437.23886	100.0
438.24399	6.4
480.08469	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
60.37535	0.3
61.98828	100.0
71.01389	1.5
73.02941	0.6
80.30973	0.4
82.78347	0.4
85.02952	0.8
94.23630	0.4
98.21890	1.2
99.00901	0.4
101.02451	1.9
113.02448	0.7
123.00893	0.4
125.02483	0.8
126.02720	0.4
151.57739	0.4
161.04585	0.9
164.01082	0.4
169.01419	0.9
170.01646	0.4
192.00632	2.1
193.01259	4.0
194.01825	1.7
208.03391	0.7
210.36761	0.4
229.01622	0.5
235.02246	0.5
275.01904	0.7
291.18069	2.6
301.00012	2.2
313.05496	0.5
356.47714	0.5
376.01364	0.4
431.68530	0.4
437.23834	5.3
480.08664	8.1
481.05960	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
60.30056	0.3
61.98830	100.0
71.01381	0.7
71.44914	0.3
71.82372	0.3
73.02957	0.4
93.03479	0.4
101.02489	0.6
108.02197	0.3
109.02961	0.5
115.30745	0.4
123.00911	0.5
124.01701	0.4
125.02463	1.2
137.02443	0.3
145.03036	0.3
153.05637	0.5
161.04523	0.4
165.01857	0.3
166.05113	0.4
169.01483	0.9
192.00677	3.1
193.01277	4.2
194.01752	2.8
200.61357	0.3
205.01306	0.4
207.02974	0.5
208.03368	0.7
211.02496	0.4
230.54153	0.3
235.02173	0.7
275.01917	0.8
300.99936	2.0
313.05582	0.6
314.06247	0.4
349.19333	0.9
355.13089	0.4
385.14258	0.5
386.59082	0.3
410.02777	0.3
436.19012	0.5
480.08609	8.4
480.18567	0.6
480.28845	0.5
481.07001	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33032	0.3
59.01376	1.2
61.98828	100.0
65.70828	0.4
69.22188	0.7
69.22591	2.0
71.01389	0.8
81.33015	0.3
89.02418	0.5
98.21865	0.9
101.02486	0.6
108.02213	0.5
109.03012	0.7
123.00893	0.4
124.01665	0.8
125.02467	0.7
125.62531	0.3
143.03604	0.4
145.39352	0.4
152.07132	0.5
152.99562	0.4
169.01376	1.1
175.03975	0.4
192.00661	1.9
193.01363	4.5
194.01738	2.6
207.03009	0.8
212.02835	0.5
272.47281	0.4
275.02145	1.2
300.99884	1.8
328.07474	0.5
417.21265	0.5
480.08676	7.6
480.21567	0.8
481.06860	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	481.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
59.01667	0.4
69.74951	0.7
71.01385	1.2
74.98681	0.4
77.63430	0.4
85.02945	1.0
95.01416	1.1
98.22589	0.5
101.02451	0.7
113.02430	0.5
115.00372	1.1
123.00898	3.4
125.02485	0.6
129.03488	0.4
133.01436	2.3
133.02974	0.5
145.02963	1.4
147.04515	2.4
149.02452	0.4
157.02980	1.6
159.04500	1.1
161.02420	0.7
163.04013	1.2
166.99881	0.9
173.02446	3.0
175.04008	3.0
177.01987	0.5
184.01607	0.4
185.02415	4.5
186.03117	0.5
187.03958	0.7
187.99294	0.4
189.01970	0.8
190.02721	0.7
191.03459	2.8
200.01268	0.5
201.01942	5.9
203.03473	8.1
205.01378	1.0
207.03012	0.5
213.01859	1.9
213.23999	0.4
214.02649	1.1
217.01347	0.8
219.03009	2.1
228.00562	0.6
229.01408	14.4
230.02063	1.4
231.02959	4.8
239.49367	0.5
245.00964	1.9
247.02434	2.7
249.03979	2.5
257.00922	13.1
258.01660	5.7
259.02277	0.4
273.00308	0.4
274.01147	1.2
275.01971	49.9
276.02118	1.8
283.99628	2.8
299.99164	2.4
300.99884	100.0
302.00262	4.9
319.01056	0.5
351.63095	0.4
421.04169	0.4
481.06207	90.2
482.06552	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	481.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
60.39898	0.6
64.84220	0.6
69.12317	4.2
71.01357	1.0
89.46749	0.6
95.01413	1.1
101.02514	0.7
111.00887	0.6
113.39219	0.7
123.00852	3.8
125.02439	0.7
131.05019	0.7
145.02960	2.6
147.04547	2.8
157.02971	1.4
159.04510	1.5
163.04060	1.2
173.02426	4.2
175.03996	3.5
177.01927	0.8
185.02448	5.2
187.03989	1.1
189.01903	1.0
190.02753	1.4
191.03506	3.3
201.01933	6.4
203.03481	11.2
203.05208	0.9
205.01436	1.2
210.08080	0.7
213.02042	1.5
214.02632	0.7
216.10016	0.7
217.01413	1.1
218.02309	0.8
219.02975	2.8
226.99985	0.9
229.01399	17.7
230.01945	1.3
230.58528	0.6
231.02971	5.5
233.24745	0.7
245.00964	2.7
247.02457	1.9
249.03935	2.8
257.00891	16.5
258.01627	7.8
259.02020	0.8
273.00488	0.9
274.01239	1.8
275.01962	52.8
276.02319	2.7
283.99704	3.9
299.99152	3.2
300.99884	100.0
302.00204	4.3
325.46915	0.7
391.11279	0.7
481.06216	83.9
482.06448	6.8
488.70334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
58.35660	0.6
59.01384	4.8
61.98814	0.6
63.58738	0.5
65.00323	1.4
69.03449	0.6
71.01377	2.2
71.05012	6.1
73.02911	1.3
78.91848	0.9
83.01358	1.6
83.10725	0.5
85.02934	1.2
86.37540	0.6
88.61192	0.5
89.02444	1.8
90.93173	0.7
95.01382	0.8
95.05044	4.4
96.96004	1.0
97.02953	20.6
101.02443	1.8
107.01433	1.2
108.02184	1.4
109.02944	8.9
113.02434	0.8
119.03574	0.9
119.05061	0.6
121.02960	2.0
123.00879	1.7
123.04501	0.8
124.01677	1.8
125.02454	4.3
133.02959	0.7
135.04541	1.2
137.02448	3.3
139.04008	100.0
140.04366	2.1
145.02908	0.9
149.09723	1.6
152.01143	1.3
153.01938	14.4
153.05569	1.3
161.02409	0.5
163.04004	2.3
165.01924	19.4
166.99829	1.0
167.10760	1.9
168.00618	1.5
169.01437	4.9
175.03893	0.8
179.05563	0.9
181.01424	5.4
183.02979	13.0
191.03656	0.6
191.05542	1.0
191.26868	0.6
193.01344	0.8
193.78435	0.6
201.01912	1.1
203.03528	1.1
211.02548	2.7
229.01407	2.4
241.14523	0.7
249.04147	0.8
257.00903	1.8
258.01669	0.8
259.15540	0.9
271.04672	2.7
273.04926	0.6
275.01956	6.1
297.06116	1.4
299.99109	0.7
300.99918	13.0
315.07120	2.4
331.06644	1.2
345.08240	65.8
346.08661	3.2
391.03040	3.5
421.20728	2.8
437.11182	0.7
443.12015	1.5
445.16953	4.5
481.06277	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	481.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
59.01373	0.6
71.01396	0.6
71.05024	6.0
73.02898	0.5
80.32599	0.5
83.01398	1.0
92.26024	0.5
95.05027	5.3
97.02947	18.0
108.02164	0.5
109.02945	6.3
115.96609	0.4
121.02967	1.6
137.02446	3.3
139.04008	100.0
140.04349	2.0
147.64149	0.5
153.01932	11.8
153.05550	0.6
159.38582	0.5
163.04002	1.3
165.01923	18.8
166.02350	0.8
183.01520	0.8
183.02986	9.7
251.75905	0.5
255.05103	0.9
275.01984	0.6
297.06140	1.7
300.99924	1.2
315.07129	1.7
345.08255	58.3
346.08438	2.5
412.59857	0.5
463.08826	0.9
481.09488	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	481.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
60.99306	12.7
62.96536	0.7
69.42210	1.9
69.42619	1.0
71.01370	0.8
85.02953	0.6
88.98808	100.0
89.99112	0.8
94.97997	0.6
101.02463	0.9
103.46938	0.7
108.02206	0.8
109.02951	1.5
114.63767	0.7
121.70694	0.6
123.28394	0.6
125.02416	1.0
137.02437	2.7
143.06248	0.6
155.51151	0.6
157.08493	0.6
161.90504	0.7
166.02629	0.6
167.03488	0.8
169.01421	1.8
192.00627	3.3
193.01277	5.9
194.01636	2.3
195.01956	2.5
207.02959	1.1
211.02531	0.9
217.18347	0.7
234.01605	0.7
235.02083	0.7
281.06625	1.4
300.99881	2.3
329.07233	0.6
384.23831	0.7
391.10437	3.2
481.08960	16.1
481.26675	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
57.03431	2.7
59.01378	66.5
61.75824	1.1
61.98826	5.8
63.80680	1.4
67.18596	1.2
70.57668	1.3
71.01009	2.4
71.01378	33.1
71.25006	1.1
73.02948	22.2
77.73861	1.3
81.03468	1.3
83.01373	14.6
85.02945	21.1
86.00082	1.4
89.02432	7.8
95.01360	3.6
97.02926	1.5
99.00874	4.8
101.02441	46.4
103.04018	1.9
104.39547	1.3
108.02157	1.4
109.02980	1.7
113.02439	17.2
123.07948	1.3
125.02414	4.3
126.37629	1.3
127.24155	1.5
129.01979	1.5
159.02969	3.3
161.04582	13.2
169.01372	2.0
171.72318	1.2
227.12785	5.1
229.01440	1.7
229.07109	1.9
275.02008	3.4
275.14999	69.5
276.15363	2.8
300.99930	10.2
335.20740	4.1
421.20786	100.0
422.20966	5.6
481.06763	6.1
481.18051	1.8
481.26398	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	482.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36387	1.9
59.01382	9.7
59.04969	1.7
61.67560	1.9
61.98820	4.2
65.00323	14.6
68.01762	2.0
69.76859	7.1
71.01370	5.2
71.05012	3.0
82.00579	2.3
83.01385	2.2
89.02431	2.7
95.01350	6.6
95.05070	2.3
97.02937	33.1
98.03316	2.6
98.22617	3.8
99.18126	2.0
101.02409	3.0
109.02948	3.7
113.02433	2.2
119.03544	2.4
123.00866	9.3
124.01659	10.2
125.02479	13.5
129.03413	2.0
137.02385	2.6
138.01961	3.6
139.00372	7.1
139.04008	40.5
140.04362	15.4
141.01907	2.4
145.02919	5.8
147.04507	3.5
149.09706	3.7
152.01184	2.6
153.01935	60.9
154.02274	5.0
154.65880	2.1
157.02863	2.5
159.04495	2.8
161.02498	2.5
163.04021	3.6
165.01932	8.9
165.03929	2.5
166.02225	3.9
166.99910	3.2
167.10793	6.9
168.00629	4.6
169.01450	13.2
173.02390	4.2
175.04030	4.6
179.05566	2.2
181.01422	100.0
182.01900	7.8
183.02989	29.6
185.02429	4.7
189.01788	2.8
191.03494	3.3
201.01962	5.9
203.03493	6.8
204.03819	2.4
211.02437	3.8
217.01402	2.6
229.01416	17.0
231.02945	7.4
245.00841	4.5
247.02272	3.8
249.03976	5.4
254.99568	2.3
257.00906	11.0
258.01547	4.8
271.04556	2.4
273.00211	4.4
274.01010	2.3
275.01987	38.3
276.02185	5.5
283.99683	3.0
285.00296	3.2
298.97845	2.2
299.99188	3.1
300.99887	86.0
302.00348	12.9
331.06723	5.9
345.08282	12.8
346.08521	24.0
362.02466	2.9
368.02484	4.4
376.02515	8.1
377.03391	2.9
381.01709	3.3
390.02301	2.6
391.03131	37.6
391.53363	15.1
421.20502	7.3
422.21146	2.8
466.02551	4.7
481.06372	2.4
482.06046	3.5
483.07776	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	483.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67104	0.3
59.01388	0.3
61.98822	0.3
65.00318	0.4
71.01360	0.3
74.56608	0.2
77.30180	0.2
81.99725	0.2
95.01398	0.4
96.96029	1.9
96.96956	0.4
98.22704	0.4
107.01355	0.5
109.02950	0.6
111.00842	0.3
116.02653	0.2
123.00890	0.5
125.02457	1.2
129.03461	0.3
132.02171	0.3
144.02199	0.5
145.02945	0.9
151.00371	0.8
153.01956	0.4
157.02975	0.5
160.01622	0.5
169.01424	1.4
172.01639	1.5
173.02460	1.2
175.04053	0.4
183.81229	0.3
185.02448	2.0
187.00258	0.4
189.01846	0.3
199.00336	0.4
200.01175	0.8
201.01920	1.9
213.01961	0.3
214.99937	1.2
216.00629	1.2
217.01341	0.3
226.99825	0.6
228.00569	1.3
229.01422	2.8
232.91716	0.2
242.99289	2.5
244.00140	1.6
245.00908	1.1
254.99335	0.4
257.00842	1.3
270.98819	9.3
271.99515	1.6
273.00415	0.3
282.98871	0.9
283.99658	3.0
285.00424	2.5
285.03503	0.4
289.07285	0.5
298.98331	14.6
299.99091	14.6
300.02151	0.3
300.99881	100.0
301.96793	0.3
302.00211	4.5
447.09067	1.3
450.99313	1.9
466.83032	0.3
483.01895	1.9
483.18597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01217	0.6
54.84026	0.6
55.26105	0.8
55.91280	0.6
65.00309	1.1
107.01397	2.2
107.24758	0.6
109.02918	2.7
118.06329	0.7
121.02964	1.7
143.34048	0.7
148.83669	0.8
150.99167	1.0
151.00351	9.9
163.00351	2.6
163.03954	1.2
168.27769	0.7
178.99818	6.1
185.02441	1.0
201.01936	1.1
211.03972	0.9
214.99786	0.8
226.02744	1.5
227.03467	2.2
229.01427	1.2
242.99245	1.1
243.02937	4.8
245.04523	1.4
254.02187	1.6
255.02997	16.6
256.03445	0.8
257.93918	0.7
262.49658	0.7
270.98978	3.2
271.02454	31.0
271.65271	0.8
272.03079	2.7
273.04062	1.2
282.98993	0.8
283.02512	1.6
283.99738	1.5
285.00241	0.8
296.03125	0.9
298.98419	6.3
299.01736	1.2
299.99188	8.1
300.02698	67.3
300.99881	43.8
301.03497	47.8
301.07092	1.4
302.00253	1.8
302.03894	2.1
443.80887	0.7
447.09308	100.0
448.09698	6.0
450.99399	1.0
483.02246	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	483.0777
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.91160	0.7
56.67348	0.6
58.36620	0.7
59.01369	2.5
65.80844	0.6
68.84924	0.6
71.01371	3.0
85.02948	0.7
89.02453	0.9
95.01358	0.8
95.48384	0.6
97.02956	1.4
98.21896	2.4
100.90311	0.6
101.02394	0.9
107.01412	4.6
113.02443	0.9
116.93973	0.6
123.00874	5.6
124.01662	7.8
125.02442	44.9
140.01173	0.8
141.01888	0.7
151.00369	4.0
153.01889	0.8
165.01924	0.9
167.03424	1.0
168.00644	7.0
169.01414	72.9
170.01735	1.7
193.01399	1.5
211.02458	30.3
241.03555	2.6
253.00368	0.6
267.06470	0.6
271.04584	44.8
272.04852	1.4
278.65326	0.7
313.05661	12.0
314.05945	0.8
320.82312	0.6
331.06671	9.8
483.07767	100.0
484.08105	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	483.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62447	0.7
59.01379	4.4
65.00316	1.6
69.03481	1.4
69.22414	2.0
69.22803	1.5
71.01370	2.1
73.02934	1.9
77.36387	0.7
81.03439	1.1
83.01379	0.8
85.02937	1.7
89.02396	0.7
95.01393	2.9
97.02946	3.8
98.21885	1.6
101.02427	2.6
103.04013	1.0
106.49288	0.7
107.01390	5.8
109.02955	0.9
122.00076	0.7
123.00874	10.3
124.01662	19.1
125.02444	69.8
126.02794	1.3
137.02443	2.3
139.00330	1.1
140.01134	1.0
141.01917	1.1
143.03525	1.0
149.99582	22.8
151.00369	5.3
153.01906	3.3
154.02303	1.2
163.06116	2.4
166.99850	0.7
167.03465	1.1
168.00638	55.5
169.01428	32.0
170.01758	0.8
177.01965	0.7
181.01442	6.0
182.01753	1.9
183.02982	1.7
187.00310	0.8
191.03450	0.8
192.00597	1.0
193.98569	1.1
194.99319	2.7
207.02879	0.8
211.02464	5.0
217.01343	0.7
231.32726	0.7
241.03378	1.1
245.00937	0.9
247.02386	0.8
249.03908	0.9
271.04538	4.2
273.04926	0.9
275.01889	1.9
283.64636	0.7
287.07666	1.1
301.00024	3.3
302.00223	1.2
313.05615	13.1
327.07379	0.8
331.06689	52.4
332.07101	2.1
338.14920	0.7
362.53073	0.9
391.02936	1.0
391.53186	2.5
392.03278	1.5
439.08820	8.6
445.17114	1.1
465.06778	1.0
483.07764	100.0
484.08246	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	483.0777
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.24649	0.4
59.01377	1.8
67.01871	0.5
69.03445	1.1
71.01381	2.3
79.01898	1.1
81.03455	1.3
83.01373	1.0
85.02959	4.0
89.02435	0.8
95.01382	0.8
96.22289	0.4
97.02946	1.4
101.02449	3.3
107.01392	7.3
108.01759	0.4
108.59663	0.4
113.02451	5.3
123.00892	7.3
124.01672	5.0
125.02444	73.3
126.02804	1.3
139.00414	1.0
139.38625	0.4
140.01155	0.5
141.01892	1.4
151.00352	5.9
153.01945	0.5
168.00642	1.7
169.01419	100.0
170.01772	3.2
179.03535	0.8
193.01387	1.5
211.02484	4.5
241.03429	0.4
255.02164	0.4
271.04642	1.7
313.05646	9.8
314.06107	0.6
331.06674	16.1
332.07062	0.9
483.07791	69.2
484.08142	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	483.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40919	0.5
53.88401	0.4
59.01380	2.5
63.77846	0.5
67.01894	0.9
69.03456	0.8
69.21827	1.6
69.22234	1.3
71.01382	3.9
73.02917	0.7
81.03451	1.4
85.02962	1.1
95.01376	1.1
95.21556	0.5
97.02948	0.9
101.02415	1.3
107.01385	7.5
109.02991	0.7
111.00864	1.2
113.02444	1.4
119.04967	0.5
123.00877	7.5
124.01676	8.5
125.02448	52.1
126.02731	0.5
137.02480	0.9
139.00362	1.8
139.04021	0.9
140.01183	1.0
141.01926	1.2
147.52287	0.5
151.00378	7.0
153.01939	1.1
165.01831	0.8
166.99915	0.6
167.03424	1.3
168.00664	6.8
169.01422	80.3
170.01772	1.2
179.03479	0.8
181.99945	0.6
183.02943	0.6
193.01437	2.9
211.02481	20.2
218.99727	0.6
222.08563	0.6
235.02676	0.7
241.03522	2.4
253.03566	1.1
261.00790	1.5
271.04578	20.8
300.99875	1.2
313.05649	27.1
331.06696	5.1
483.07800	100.0
484.08142	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	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
60.99308	8.3
61.98828	5.6
69.24699	2.6
71.01361	0.9
71.67564	0.5
73.02912	0.7
78.95896	7.4
79.95737	2.1
80.91676	1.6
83.01391	0.5
85.02936	1.0
87.00876	1.9
88.00398	0.7
88.98804	59.6
89.02444	25.0
95.01373	1.0
96.96010	100.0
96.96923	12.9
97.02910	0.9
98.22598	1.3
101.02431	1.2
107.01398	1.9
111.00870	1.3
123.00880	2.2
124.01653	1.6
125.02445	11.0
139.00375	1.1
139.04060	0.6
151.00330	1.0
168.00652	1.8
169.01436	13.1
180.69406	0.7
181.01405	2.0
183.02997	1.2
193.01414	1.1
211.02411	4.4
229.01471	0.8
241.62082	0.6
247.02672	0.9
271.04544	3.1
275.02002	1.9
276.02267	1.0
299.98901	0.7
300.99857	4.0
302.00079	0.8
313.05716	1.5
331.06610	1.8
343.74066	0.7
377.03162	1.0
391.02991	0.8
483.07562	10.8
484.07465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
60.99308	8.3
61.98828	5.6
69.24699	2.6
71.01361	0.9
71.67564	0.5
73.02912	0.7
78.95896	7.4
79.95737	2.1
80.91676	1.6
83.01391	0.5
85.02936	1.0
87.00876	1.9
88.00398	0.7
88.98804	59.6
89.02444	25.0
95.01373	1.0
96.96010	100.0
96.96923	12.9
97.02910	0.9
98.22598	1.3
101.02431	1.2
107.01398	1.9
111.00870	1.3
123.00880	2.2
124.01653	1.6
125.02445	11.0
139.00375	1.1
139.04060	0.6
151.00330	1.0
168.00652	1.8
169.01436	13.1
180.69406	0.7
181.01405	2.0
183.02997	1.2
193.01414	1.1
211.02411	4.4
229.01471	0.8
241.62082	0.6
247.02672	0.9
271.04544	3.1
275.02002	1.9
276.02267	1.0
299.98901	0.7
300.99857	4.0
302.00079	0.8
313.05716	1.5
331.06610	1.8
343.74066	0.7
377.03162	1.0
391.02991	0.8
483.07562	10.8
484.07465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
59.01382	7.5
67.01878	0.8
69.03468	0.9
69.59351	2.6
71.01379	7.3
72.99276	0.8
81.03446	1.3
83.01378	1.2
85.02946	11.5
87.00882	2.2
89.02441	6.0
89.34035	0.7
93.03446	3.3
95.01414	0.7
97.02923	1.4
101.02445	2.4
107.01384	3.6
109.02952	1.4
111.04507	1.7
113.02433	3.4
115.00401	1.1
119.03490	2.2
123.00867	5.3
124.01662	5.2
125.02444	38.6
126.02776	0.7
127.03999	1.7
129.05554	3.6
133.01436	2.4
135.02954	1.2
142.99857	3.5
149.49043	0.8
151.00360	2.2
161.04565	0.9
168.00591	4.6
169.01421	53.2
170.01755	1.2
173.00929	0.9
173.04535	1.8
179.05576	3.1
191.05603	100.0
192.05925	2.7
193.01472	1.9
211.00587	1.4
211.02463	11.8
229.01280	1.9
230.01697	0.8
231.01981	0.9
258.01373	1.2
259.01614	1.2
260.02380	0.9
271.04565	13.1
275.01978	4.1
276.02237	2.4
277.02438	4.6
299.98529	0.8
300.99918	5.4
302.00110	4.2
303.00415	8.8
309.11761	4.2
313.05597	8.1
331.06628	6.5
423.05505	0.9
483.07544	56.2
484.08054	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	483.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44660	0.4
55.06850	0.4
59.01376	2.2
67.01884	0.4
68.60845	0.5
69.03427	0.6
71.01365	1.5
71.14707	0.5
73.00118	0.4
81.03441	1.0
85.02944	8.7
87.00875	1.5
92.18156	0.4
93.03459	3.2
93.45269	0.4
99.04485	0.5
101.02461	0.8
107.01391	1.8
109.03004	0.6
111.04517	0.8
113.02452	1.1
123.00898	0.8
124.01662	1.0
125.02444	12.0
126.02670	0.4
127.04018	1.7
137.02350	0.5
151.00368	0.5
155.21771	0.4
160.86879	0.4
168.00581	0.8
169.01425	16.4
171.03067	0.7
173.04567	0.6
191.05611	100.0
192.05963	2.5
193.01463	0.4
210.32666	0.4
211.02466	1.8
254.96191	0.5
271.04489	0.9
313.05652	1.4
331.06631	2.4
483.07645	9.4
484.07874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96681	0.9
59.01373	3.2
60.99305	15.3
61.98834	10.8
67.13235	0.8
69.41646	3.3
71.01390	2.1
78.95889	3.1
79.95720	0.9
80.44362	0.8
80.91679	1.6
85.02957	1.3
87.00877	1.7
88.98804	100.0
89.02440	45.0
95.01391	1.9
96.96011	50.5
96.96926	6.5
97.02951	1.2
98.21848	2.0
101.02426	1.6
107.01387	3.1
109.02976	1.2
111.00880	2.0
123.00894	2.5
123.01826	0.9
123.68485	0.9
124.01640	2.1
125.02438	13.4
139.04051	1.0
165.04088	1.4
166.99879	1.3
168.00668	3.1
169.01428	18.9
181.01379	2.1
183.02991	1.4
192.00645	1.5
193.01451	2.3
211.02495	4.1
221.25002	0.9
271.04501	4.3
275.01993	2.6
300.99872	4.0
313.05685	2.3
327.07129	1.2
331.06738	3.3
337.07629	1.0
356.12817	1.1
483.07431	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	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
55.32321	0.6
57.03437	2.0
57.41945	0.7
59.01380	54.2
61.98826	2.1
69.03421	1.0
69.22456	1.4
69.22840	1.4
69.63998	0.6
71.01385	25.3
72.99330	1.0
73.02946	17.1
75.00901	0.7
81.03477	0.8
83.01389	11.8
85.02953	17.6
86.00146	0.7
87.00853	1.6
89.02428	4.3
95.01376	1.9
97.02948	1.8
98.11531	0.6
99.00900	5.2
101.02443	41.1
103.04031	1.5
103.44125	0.6
113.02442	11.3
115.03994	0.9
115.11278	0.7
117.20506	0.6
119.03517	0.8
124.01674	1.0
125.02427	3.5
129.01933	0.8
139.04050	0.6
143.03499	2.2
159.02985	2.7
161.04556	10.6
163.06136	1.7
169.01405	2.7
227.35605	0.6
255.02985	0.9
271.02487	1.8
273.44876	0.8
277.16556	66.7
278.16937	3.0
300.02695	3.8
300.99884	2.2
301.03458	2.6
423.22345	100.0
424.22656	5.1
447.09247	6.0
483.07669	1.9
483.18890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40617	0.3
71.42027	0.3
72.09529	0.3
78.95900	6.0
80.00906	0.3
96.96905	0.7
152.99588	14.5
159.72034	0.3
169.01424	0.4
170.22227	0.3
171.00661	1.1
172.01616	0.3
205.88016	0.3
227.03194	2.6
245.04297	1.6
255.23277	100.0
256.23645	3.9
279.73145	0.3
483.27240	31.7
484.27414	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	485.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99062	0.7
59.01110	1.0
59.01377	10.4
61.98824	1.0
67.05519	1.4
69.15128	4.1
71.01384	6.2
75.09754	0.6
82.95412	1.8
85.02947	18.6
89.02443	3.9
89.82707	0.6
101.02454	2.4
103.44458	0.6
107.01418	0.9
108.02204	0.8
109.02896	0.9
109.11572	0.6
113.02454	3.3
117.03460	2.4
119.03530	1.7
119.04964	1.0
121.03005	0.8
123.00847	0.8
123.04507	1.0
125.02460	1.2
129.05606	7.7
132.02168	1.9
133.02950	6.8
134.03743	44.6
135.04541	8.7
135.40404	0.6
136.01678	0.9
137.02502	0.9
146.59422	0.6
147.04518	9.5
148.05312	7.6
149.06084	13.4
151.00395	4.2
151.04012	1.3
158.03712	2.7
160.01657	18.7
161.02420	1.8
161.04501	0.6
162.03229	1.0
162.06886	0.8
163.03969	1.5
163.07690	0.8
164.04771	1.2
169.01418	1.2
173.06041	3.3
174.03188	1.2
175.03996	28.3
176.04779	26.8
177.01901	4.6
177.05489	2.4
178.02724	7.7
179.03398	1.2
179.05638	1.3
191.07141	38.4
192.04245	3.5
192.07446	1.1
193.05051	62.0
194.05396	1.2
207.06607	16.7
208.06865	0.9
217.05122	3.0
220.03767	5.6
233.11357	0.7
235.06105	100.0
236.06491	3.1
265.07147	39.0
266.07498	1.5
281.06726	1.2
284.03210	6.4
285.04028	12.9
286.04214	1.2
287.05630	4.8
295.08218	49.9
296.08612	2.4
309.11829	1.6
337.09210	1.5
355.10300	17.4
356.10623	0.9
357.83087	0.7
370.62711	0.7
423.09085	0.8
447.09323	13.2
448.09473	1.1
449.09964	1.8
485.16739	5.3
507.46924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.1
61.98808	1.4
67.05526	1.0
69.37189	3.4
71.01380	6.4
82.95402	0.8
83.01327	0.8
85.02948	14.2
89.02439	3.0
90.51605	0.8
96.95977	1.4
101.02431	2.5
107.01431	0.6
108.50587	0.7
109.02963	1.1
111.04489	0.8
113.02447	2.4
117.03458	1.8
119.03486	1.3
125.02428	2.1
129.05585	6.0
132.02162	1.3
133.02954	4.3
134.03740	41.3
135.04573	5.2
136.01640	1.6
140.69904	0.8
147.04524	7.7
148.05321	6.0
149.06078	11.7
151.00317	0.9
151.03983	1.8
151.46867	0.7
158.03723	1.9
159.04504	0.9
160.01654	16.9
160.02975	0.9
161.02361	1.1
162.03200	1.0
163.04010	1.3
163.07661	1.4
164.04756	1.6
165.01807	0.8
167.58675	0.8
169.01376	2.4
173.06039	2.6
174.03223	1.7
175.02478	1.6
175.03993	27.6
176.04774	24.8
177.01918	5.1
177.05440	1.7
178.02696	7.3
189.05563	0.7
191.07135	34.2
192.04259	3.3
193.05046	64.0
194.05399	1.8
202.02641	1.6
207.06599	10.4
217.05057	3.3
220.03725	5.4
235.06096	100.0
236.06432	3.5
247.06149	0.8
251.05424	0.8
265.07147	36.5
281.06845	0.9
285.04007	1.4
295.08197	50.5
296.08566	2.2
309.11780	1.7
333.06207	1.0
337.09241	1.2
355.10300	19.6
356.10596	1.3
423.09644	1.1
438.92816	0.8
447.09308	2.0
485.16623	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	485.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77385	27.3
59.01378	64.6
61.98853	73.9
67.76479	27.7
77.01723	26.3
81.11691	30.2
101.02498	32.9
123.08154	42.9
126.38036	29.4
271.02341	47.6
274.06216	32.2
300.02588	68.4
301.03253	45.6
423.09167	95.0
447.09158	100.0
467.33618	39.8
485.34937	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03439	2.4
59.01379	56.7
65.92430	0.9
69.03456	1.5
69.66981	3.7
71.01379	34.8
73.02946	19.9
75.00871	1.3
81.03460	0.9
83.01382	12.2
85.02945	19.7
86.00098	1.1
87.00879	2.0
89.02438	4.5
95.01382	2.5
96.96005	3.7
97.02942	1.9
98.22559	1.6
98.95585	2.0
99.00879	6.5
101.02442	42.7
103.04004	2.6
108.02183	1.1
109.02930	1.2
113.02450	13.8
125.02434	5.5
129.01852	1.3
143.03473	1.5
143.04570	1.1
145.05092	1.3
151.04007	2.4
153.09404	0.9
159.02963	3.3
161.04572	14.2
163.06120	1.2
169.01384	2.7
170.64624	0.9
193.01405	1.6
247.08144	1.5
279.14487	61.6
280.14828	1.6
323.13153	1.1
368.10489	0.9
425.20273	100.0
426.20572	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	486.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98830	7.0
66.32754	0.8
67.01905	0.9
69.08337	2.8
69.08736	1.6
71.01380	2.5
72.99285	0.9
79.01871	0.9
83.01379	0.8
85.02940	2.7
85.99004	0.7
95.01384	2.0
97.02944	0.8
101.02476	1.4
102.39223	0.7
107.01380	3.5
108.02168	3.5
109.02961	9.2
111.00924	1.0
113.02435	2.2
115.00327	1.4
123.00895	12.7
124.01653	6.5
125.02451	23.1
126.02763	1.9
133.01427	2.7
139.00365	2.3
140.01154	1.5
141.01936	1.4
151.00377	9.2
156.65221	0.8
168.00661	3.5
169.01425	36.0
170.01736	1.7
172.15755	0.9
177.71893	0.8
191.05661	4.3
192.05888	1.4
193.06042	1.6
211.02505	1.6
248.96982	0.8
249.28831	0.8
277.93530	0.7
300.99844	2.7
313.05630	8.4
322.97690	0.9
334.03613	0.9
423.09314	100.0
424.09668	5.2
426.04333	0.9
486.08652	2.9
506.32278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.0
71.01375	2.5
73.02934	1.0
79.01904	1.0
84.04783	0.8
85.02946	1.7
95.01380	0.9
98.22598	2.0
101.02451	1.7
107.01392	3.0
108.02171	3.0
108.75777	0.7
109.02966	10.4
113.02437	1.5
123.00873	9.9
124.01672	8.0
125.02449	20.7
139.00374	1.5
140.01160	1.4
141.01917	1.2
151.00368	8.5
168.00613	4.8
169.01425	38.1
211.02383	0.9
313.05637	10.8
365.61481	0.7
423.09311	100.0
424.09515	6.3
427.46552	1.0
440.49252	0.8
495.95081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58503	0.3
59.01366	1.8
61.98827	100.0
71.01386	0.9
73.02940	0.4
73.11149	0.4
85.02930	0.6
101.02461	0.6
108.02168	0.3
109.02985	0.8
117.01722	0.3
123.00872	0.7
124.01656	0.5
125.02439	1.8
128.11711	0.3
139.00359	0.5
145.87131	0.3
151.00375	0.9
169.01401	1.9
185.11945	0.5
201.61816	0.4
223.16286	0.4
295.85172	0.3
313.05429	0.3
405.26785	0.4
423.09335	5.5
426.23428	0.6
448.09543	0.8
487.21085	0.6
487.25781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43048	0.9
69.43436	0.6
88.04037	60.1
89.04360	0.5
106.63817	0.3
120.41189	0.4
125.70816	0.4
136.11485	0.3
147.08167	2.1
149.09695	1.2
152.99529	0.3
161.09720	1.0
163.11299	3.0
181.24060	0.4
187.11252	2.5
196.76872	0.4
223.15790	0.4
249.34290	0.4
265.12250	0.6
279.13840	1.1
280.14551	1.2
309.22244	1.9
321.18628	0.6
322.19238	0.9
333.03305	0.4
334.30914	0.4
337.21716	100.0
338.22040	8.4
357.38763	0.4
382.27429	0.9
423.08832	0.6
486.26837	16.4
487.27344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.8
59.65895	0.8
61.98839	0.8
64.32314	0.7
69.85077	2.5
71.01383	14.9
72.24605	0.7
72.99304	3.1
75.53288	0.7
85.02975	1.0
87.00856	0.7
89.02432	2.5
97.37791	0.8
109.02950	1.2
111.57488	0.8
115.00373	43.2
119.05035	5.3
122.57772	0.7
123.00848	2.4
125.02444	2.4
126.02766	1.2
133.01434	100.0
134.01753	1.7
145.03021	1.2
151.00430	1.2
161.06198	1.1
163.04010	6.0
169.01414	3.8
170.01741	2.0
191.05595	12.2
205.05046	1.4
220.79478	0.8
313.05719	0.9
314.05923	1.4
423.08914	0.8
424.09702	16.6
425.09818	1.0
427.04446	1.3
487.14609	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	487.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21495	0.5
59.01367	0.9
60.65042	0.4
71.01010	0.9
71.01381	14.8
72.99308	3.1
85.02952	1.9
87.00877	1.1
89.02469	2.3
90.78185	0.5
93.03463	0.6
99.03695	0.4
103.96293	0.5
107.69153	0.4
107.86023	0.4
115.00371	43.3
118.74189	0.5
119.05019	0.7
133.01428	100.0
134.01767	1.5
159.02942	0.5
173.04457	0.5
191.05592	20.7
212.82982	0.5
307.40329	0.5
339.57602	0.6
353.08609	1.3
378.03220	0.6
484.80957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	78.0
61.98819	16.5
65.34285	5.0
67.42974	5.3
70.68609	11.0
71.01379	34.6
84.90564	5.8
85.02931	14.5
88.32571	5.2
89.02443	15.1
95.01386	9.1
101.02459	20.8
108.02171	22.6
109.02957	100.0
113.02446	8.3
116.65461	5.0
119.03513	7.1
119.05010	5.7
123.00871	8.2
125.02435	19.8
143.10773	36.7
151.00467	6.1
153.09232	20.7
153.81454	5.9
156.26990	6.0
161.02472	7.2
169.01404	11.3
185.11763	6.8
307.19189	14.3
312.90143	6.2
343.08026	27.1
343.21445	10.6
424.09451	16.0
451.16122	41.4
487.18945	61.0
487.26654	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2314
Annotation	Tiegusanin B
Peak:m/z	Relative Intensity
59.01379	16.6
61.98814	14.3
66.75567	10.3
69.22672	68.1
73.37280	11.1
81.60960	12.5
88.07961	11.0
95.73209	11.1
98.10813	10.7
98.22694	23.9
100.34958	13.9
106.87688	11.2
166.28062	12.4
168.18578	11.4
245.56470	12.0
424.09882	18.1
437.37854	11.5
487.23187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01379	45.5
61.98817	3.6
63.36448	1.0
65.03964	2.5
71.01379	22.2
71.05014	4.6
71.44748	1.0
72.99316	1.0
73.02931	2.4
83.05029	5.9
85.02963	4.8
89.02446	16.2
95.01398	1.7
97.06587	3.9
99.04426	1.2
101.02425	10.0
111.08155	3.5
113.02460	7.4
119.03510	6.0
119.05051	1.1
121.06599	7.1
121.10246	1.4
123.08105	0.9
125.09718	4.0
127.67248	1.1
128.36191	1.1
139.07649	5.2
141.12849	1.2
157.08701	1.5
161.04546	2.1
169.01402	2.6
171.15501	1.2
185.08284	3.3
185.11823	100.0
186.08926	1.2
186.12064	2.2
209.11867	2.4
211.13336	2.2
217.44485	1.2
235.06184	1.6
235.13411	3.3
238.28337	1.0
245.19135	2.4
289.18033	2.8
307.19162	17.2
309.20770	1.5
325.01749	2.7
325.20120	2.5
349.20404	1.5
384.10107	1.3
424.09573	3.5
469.24350	5.6
487.25516	99.9
488.25772	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	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.97438	0.3
57.09579	0.2
58.00590	0.5
58.04920	0.3
63.60543	0.3
63.80091	0.2
65.04743	0.3
71.05019	1.2
92.04452	0.3
176.33640	0.3
208.48793	0.3
369.27930	0.5
391.29889	0.4
393.31497	0.4
403.30127	0.3
405.31744	0.5
421.31216	0.5
423.32550	0.9
427.32159	1.3
437.30548	0.7
443.35382	0.6
451.32333	0.3
467.31610	3.0
469.33173	11.7
470.33469	1.3
487.34271	100.0
488.34601	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.2
57.03447	0.4
59.01377	5.8
61.98803	0.3
63.03882	0.2
69.41674	1.0
71.01382	3.6
73.02946	1.5
78.95901	3.4
79.95734	2.4
83.01382	1.3
85.02948	1.6
87.00859	1.0
89.02442	0.9
93.03431	0.3
93.97659	0.2
94.98090	0.3
95.01426	0.5
96.96010	100.0
96.96898	4.5
98.22659	0.2
99.00893	0.6
101.02435	3.2
103.04021	0.2
108.02156	1.6
108.11001	0.2
109.02893	0.2
113.02431	1.4
119.03574	0.3
123.00843	0.3
123.02512	0.2
125.02459	0.9
133.43689	0.2
137.02478	0.4
143.03476	0.3
159.03050	0.4
161.04539	1.7
163.06094	0.3
169.01418	0.8
191.05629	0.8
192.98372	0.2
195.62653	0.2
234.99236	0.3
253.00243	0.6
257.01361	0.5
283.11893	4.1
299.02420	0.3
391.10272	0.5
429.17621	7.6
430.17850	0.5
489.07190	3.1
490.07791	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	489.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.8
61.98827	7.4
63.33988	1.8
68.57175	1.9
69.23360	10.1
71.01378	10.6
73.02961	2.4
82.95392	4.7
85.02956	3.0
87.00863	4.0
89.02455	7.7
98.21861	3.7
98.56659	1.9
101.02434	3.6
103.01476	3.0
109.02913	2.2
113.02435	2.9
113.70272	2.1
119.03522	2.5
119.05030	2.5
125.02479	3.3
133.02942	27.5
134.03745	5.0
135.04512	46.3
136.04849	3.0
142.28169	1.9
149.06116	10.0
161.02441	100.0
162.02783	2.7
166.77869	2.3
167.24176	1.8
169.01410	2.6
177.05554	22.5
179.03494	85.7
191.05574	3.7
221.04541	40.6
225.44937	2.0
242.59004	2.1
251.05598	34.2
281.06659	55.7
282.06818	2.4
341.08780	53.7
453.14029	68.7
454.14636	4.4
489.15836	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	489.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36812	0.6
57.67235	0.5
58.23761	0.5
79.33596	0.5
80.03999	0.6
92.45336	0.6
133.02921	0.8
135.00853	1.0
161.02463	1.8
162.03189	1.7
163.00397	3.9
164.01147	2.6
165.01941	0.9
165.28215	0.5
166.02678	0.8
177.01935	1.9
178.99846	1.1
189.01947	1.2
190.02699	4.3
190.99858	9.7
192.00638	100.0
193.01389	12.1
194.02080	3.3
205.01407	4.6
206.02203	1.8
207.02977	80.4
208.03320	2.2
221.00807	0.7
222.01707	1.6
233.00925	2.6
234.01695	14.9
235.02461	1.4
237.04010	2.8
249.04034	15.9
249.06480	1.3
250.04472	0.7
279.05023	1.1
294.03754	0.8
309.05972	1.3
312.04755	2.4
313.05020	0.6
321.95023	0.7
327.07199	23.2
328.07416	0.9
337.05600	1.3
354.05927	2.1
369.08270	26.5
370.08728	1.0
411.09311	4.5
489.12494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.2
59.70298	0.9
69.75159	2.8
93.03445	1.2
96.95921	0.9
105.03436	1.8
109.02971	1.3
121.02927	2.5
125.02427	2.7
127.78355	0.8
133.02956	2.6
135.04533	1.3
136.01578	1.3
137.02420	2.1
139.03984	1.2
149.02441	3.9
150.03172	1.3
151.04015	1.6
161.02477	4.1
162.03181	1.3
163.00357	5.5
163.03957	1.4
164.01170	3.3
165.01955	6.0
166.02702	4.8
169.01454	2.1
175.04103	1.1
176.01158	1.4
177.01944	13.0
178.02672	6.5
179.03476	2.2
180.98108	1.3
181.05063	1.9
184.81934	1.0
187.04030	0.9
189.01924	7.5
190.02702	10.4
190.99843	21.2
191.03470	2.9
191.05574	3.8
192.00641	77.5
193.01402	36.3
193.05083	2.8
194.02188	5.2
195.02937	1.6
203.03482	1.3
204.00581	1.0
205.01405	14.4
205.04935	1.7
206.02129	2.9
207.02971	100.0
208.03329	2.7
209.04591	1.9
219.03029	3.0
221.00867	3.1
221.04446	1.8
222.01707	2.8
222.99222	1.6
231.02942	1.4
233.00893	19.4
233.03101	1.7
234.01663	9.8
235.02437	3.3
235.06250	0.9
237.04034	5.2
249.04054	12.8
266.98279	5.1
277.98074	0.9
300.99844	1.2
311.04111	9.2
312.04745	1.8
313.05576	4.8
316.95297	0.8
326.07071	0.9
327.03351	1.8
327.07220	36.7
328.07532	1.6
347.94971	1.4
354.06039	7.3
355.06674	3.8
356.07425	4.3
369.08212	8.7
391.60382	1.0
396.06995	1.8
399.09375	2.2
411.09439	1.7
426.10236	2.9
429.03156	3.3
457.09976	2.4
474.10156	10.8
480.20505	1.0
489.12497	79.8
490.12900	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	489.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70830	0.8
59.01362	2.5
60.65446	0.8
69.08248	6.6
71.01376	3.1
71.05012	4.9
99.04517	12.5
115.00332	1.2
115.03976	3.3
117.05583	8.7
119.05003	2.2
121.27808	0.9
123.00871	1.2
124.01620	1.6
125.02438	1.4
133.01416	2.5
134.46162	0.9
135.04520	1.6
136.01611	1.3
138.03239	1.4
161.02449	4.5
161.08192	87.7
162.03171	3.2
162.08551	1.8
163.03967	1.6
163.76744	0.9
164.01176	6.0
166.02730	4.5
168.00653	1.0
177.01871	2.9
178.02687	1.7
178.99773	1.4
180.00572	1.8
181.04979	1.9
189.01886	1.8
190.02715	7.0
191.05566	6.1
192.00641	100.0
193.01407	27.0
194.02188	18.8
205.01408	4.2
206.02269	5.4
207.02974	65.2
208.03355	1.3
209.04543	1.0
221.00848	4.1
222.01685	11.5
234.01675	24.3
235.02032	1.2
237.04034	5.7
249.04039	16.9
259.57010	0.9
303.33307	1.1
312.04895	1.0
328.23410	1.0
343.39868	0.9
474.10208	3.1
489.12405	59.4
490.12787	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	489.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36415	0.7
59.01371	1.6
69.22266	4.4
71.01373	1.9
71.05011	6.1
85.02975	1.2
87.04507	2.1
98.22615	1.8
99.04514	16.1
115.00344	0.9
115.04033	4.2
115.07674	1.2
117.05585	11.6
119.05032	1.0
123.25196	0.7
125.02444	1.5
133.01437	2.3
134.01762	0.9
135.03032	1.0
154.03368	1.3
161.02441	1.5
161.08189	100.0
162.03201	1.1
162.08519	1.5
163.03990	1.0
164.01147	2.7
166.02628	1.3
168.00566	0.7
169.01477	0.7
177.01985	0.7
178.02657	0.8
181.05043	1.3
190.02737	2.7
191.05603	6.8
192.00636	34.7
193.01421	8.1
194.02151	5.5
205.01419	1.5
206.02177	2.1
207.02969	24.6
216.07100	1.1
221.00919	1.3
222.01695	3.7
234.01665	10.3
237.04089	2.4
249.04022	6.0
474.10410	0.9
489.12341	24.5
490.12955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74435	0.3
59.01376	11.7
69.03471	0.4
71.01378	2.8
71.14135	0.2
73.02943	3.0
75.00858	0.4
75.73786	0.3
80.91692	1.9
83.05226	0.3
85.02949	1.2
86.52879	0.2
87.00886	0.8
87.04531	0.3
89.02437	2.5
96.96008	0.5
97.02933	0.3
98.21783	0.5
101.02438	3.4
103.00409	0.5
103.01487	1.9
103.03995	1.5
108.02169	0.3
109.02940	0.7
113.02427	0.6
115.03993	0.6
119.03506	1.1
120.66439	0.3
120.93800	0.3
121.02952	100.0
121.18065	0.3
122.03326	1.8
125.02460	2.2
127.04034	0.4
131.03510	0.6
135.04552	0.4
143.03500	0.7
145.05005	0.4
153.01956	0.5
157.91342	0.3
159.19696	0.3
161.04585	0.4
163.06134	3.2
169.01422	0.6
191.05637	0.5
195.61224	0.3
205.07146	0.6
300.99890	0.5
307.10382	1.8
314.61130	0.3
357.15543	0.7
407.09857	0.8
408.47360	0.4
429.08331	0.6
429.13809	3.1
485.27682	0.3
489.20090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00239	2.0
56.38890	2.0
59.01375	44.6
64.26001	2.1
68.54432	2.3
69.75005	5.5
71.01382	22.6
72.99308	2.9
73.02934	2.9
75.00874	9.0
85.02952	38.0
87.00877	6.3
89.02440	26.9
92.40767	2.1
93.03458	4.2
98.21943	2.6
101.02447	9.8
109.02921	2.7
111.04522	3.3
113.01783	2.1
113.02418	9.9
119.03493	13.1
129.05556	18.6
133.01453	3.0
142.99809	2.6
143.03456	4.7
147.03052	4.1
152.01158	3.1
161.04588	6.1
179.05608	45.4
190.99872	3.7
191.05603	100.0
192.00658	30.0
192.06004	3.4
193.94031	2.3
207.02951	21.4
234.01692	6.9
237.04222	2.4
249.04160	3.6
309.11887	38.9
315.07440	4.1
327.07242	7.1
369.08130	4.8
404.13416	2.4
449.68268	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	489.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47053	0.5
55.01876	0.6
57.03435	0.6
58.00591	0.7
59.01376	100.0
60.01699	0.5
67.76009	0.5
69.03476	0.8
69.33002	2.5
71.01378	19.2
72.99303	1.6
73.02943	32.5
75.00864	0.8
83.01393	1.4
83.05052	0.4
85.02943	10.0
86.00075	1.0
87.00872	7.4
87.04510	4.1
89.02444	23.2
93.40630	0.5
96.96009	5.9
96.96951	0.6
97.02958	0.5
98.67065	0.4
101.02438	45.4
103.01490	2.2
103.04005	21.6
113.02452	1.7
115.04013	10.2
119.03502	9.9
125.02456	2.9
127.04012	1.5
128.68860	0.4
131.03496	9.2
138.00200	0.5
143.03493	12.1
145.05052	6.6
161.04601	0.7
163.06116	78.4
164.06422	1.5
169.55315	0.5
179.05589	1.5
205.07158	21.7
206.07587	0.7
215.40613	0.5
235.08150	1.6
265.09265	6.5
274.24725	0.5
307.10287	0.7
325.11227	1.0
331.72449	0.5
429.17618	12.2
430.17664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
65.13303	1.8
69.03468	3.1
69.10758	5.6
69.11180	7.1
71.01395	23.6
71.46283	1.8
72.03163	1.8
73.02954	32.2
82.95407	21.9
85.02948	9.0
87.00868	6.2
87.04519	3.8
89.02445	23.0
98.22704	3.9
101.02447	47.5
103.04017	19.2
103.10647	2.0
108.02186	4.5
109.02935	3.5
113.02447	4.1
115.04031	11.6
119.03474	13.6
120.26205	1.8
125.02444	2.4
127.04008	2.9
131.03514	8.9
143.03523	12.0
145.05002	3.4
163.06131	75.9
165.09283	2.3
173.04688	2.2
191.05666	5.5
197.04533	2.3
205.07187	21.3
239.05649	3.4
265.09290	9.1
299.07733	2.5
327.06995	3.1
413.20654	2.1
429.17249	13.2
451.12320	12.8
452.12912	3.5
481.96429	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
58.06704	2.6
59.01377	100.0
61.98821	9.2
66.74960	2.4
71.01377	42.4
71.05007	3.3
72.99306	2.7
73.02945	50.9
76.13353	2.1
82.95438	4.1
85.02950	11.8
87.00856	2.8
87.59252	2.2
89.02448	30.5
95.01402	4.6
98.21787	4.9
99.04515	12.0
101.02435	19.3
113.02456	14.6
116.92874	4.2
119.03527	7.1
125.02476	15.2
145.02959	2.7
161.04651	2.8
169.01361	4.6
179.05597	2.6
187.09680	3.3
189.02032	3.6
235.13420	13.7
265.18002	5.3
267.15933	3.4
309.17126	65.6
309.20688	8.6
310.17426	5.9
327.21667	4.0
341.06946	2.7
345.22760	6.6
453.16827	4.3
489.22818	33.7
489.27139	80.5
490.23196	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	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03434	0.9
58.00587	0.9
59.01377	41.0
61.98812	1.2
69.03452	0.4
69.31524	0.8
69.31915	1.2
71.01381	17.8
72.99304	0.8
73.02940	1.3
83.01379	1.1
85.02950	4.8
87.00906	0.4
89.02441	14.0
95.01402	1.3
97.02962	0.5
97.06564	0.4
99.00881	0.4
101.02441	8.5
104.43851	0.4
109.69556	0.4
113.02441	5.7
119.03499	4.4
125.02436	0.5
125.09711	0.5
137.09651	0.5
163.11253	0.7
165.12836	2.2
171.10243	1.3
179.05655	0.5
181.12299	0.5
209.11813	0.9
211.13361	1.6
225.05167	0.4
227.12999	0.6
229.14421	1.2
247.20715	2.1
273.18726	0.5
291.19669	11.7
292.20190	0.5
301.99084	0.5
309.20654	5.8
310.21207	0.5
322.72894	0.4
327.21790	3.3
373.26138	0.6
489.27042	100.0
490.27304	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	491.0829
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
52.09377	0.3
59.01380	0.6
69.56618	0.7
69.57008	0.5
70.23500	0.3
72.70758	0.3
77.96094	0.3
82.95410	0.6
84.95116	1.8
169.01436	0.4
185.99651	0.4
197.99536	0.8
213.99033	0.7
229.01332	0.4
241.98662	1.0
254.99300	1.6
256.06729	0.3
257.00867	0.9
269.98026	19.6
270.98532	0.8
274.96359	0.3
282.98862	0.6
285.00403	12.9
286.00674	0.6
297.97531	46.4
298.97946	2.4
299.01450	0.4
311.99130	0.3
312.99890	100.0
314.00262	4.6
327.01590	0.5
328.02228	58.6
329.02536	2.5
417.81247	0.3
476.05942	5.3
490.30490	1.4
491.08279	70.4
492.08594	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	491.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63586	0.5
59.01394	3.0
71.01384	2.0
73.02951	0.8
78.95908	13.9
79.95745	3.5
82.95416	4.4
88.98819	4.6
89.02460	1.8
95.01382	0.6
96.96011	100.0
96.96939	24.3
102.58863	0.5
105.01958	0.8
113.02441	0.6
123.00855	0.9
125.02425	2.1
133.03000	0.6
135.04527	3.0
149.06100	0.7
169.01410	2.3
175.27477	0.5
177.01930	9.9
179.03497	1.4
179.43417	0.5
189.05637	1.1
191.05605	1.5
196.63400	0.7
231.40367	0.6
266.76718	0.5
272.89578	0.6
274.32977	0.5
300.99951	1.1
313.05792	0.7
339.07281	1.4
445.17374	0.9
447.33026	0.5
491.08557	1.8
491.15710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1559
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
57.03449	0.6
59.01379	3.8
60.41471	0.5
71.01383	1.8
72.99297	0.9
73.02941	0.7
81.03436	0.9
83.01376	0.6
85.02945	0.8
89.02432	1.2
93.03458	1.7
93.07108	1.2
94.84415	0.6
95.05025	1.5
101.02436	1.3
108.02171	0.9
109.02944	8.2
113.02424	1.1
117.03466	7.1
118.04254	2.2
119.05026	100.0
120.05357	2.5
121.02955	8.4
122.03684	0.9
123.04543	3.0
124.01653	1.9
125.02455	3.9
133.02982	2.8
133.06589	0.9
135.04495	0.6
137.02426	1.5
137.06091	11.2
138.06459	0.8
139.03979	1.4
145.02946	17.0
147.04506	2.6
148.05313	2.7
148.67154	0.6
149.02457	0.9
150.03217	0.8
151.04013	0.8
152.07198	0.6
153.67029	0.6
159.04532	2.1
160.39214	0.5
161.02345	0.7
161.04752	0.9
161.06085	3.9
162.03224	2.4
163.04007	90.9
164.04353	2.3
165.01833	1.1
165.05560	27.7
166.05963	0.9
168.00580	3.5
173.06013	1.0
174.06863	0.5
175.33257	0.5
183.02988	10.7
187.03986	3.9
202.41483	0.5
203.07114	1.2
205.05173	3.3
212.14903	0.6
219.06628	3.0
225.09122	0.8
245.08168	2.0
267.10278	13.7
268.10703	0.8
271.05994	1.4
289.04187	0.8
289.07169	8.5
293.08069	0.7
311.09341	4.4
325.09348	4.5
326.68655	0.7
329.10303	22.9
330.10397	0.9
371.11697	0.7
374.96902	0.7
383.98792	0.6
455.09842	3.2
473.14404	1.6
491.15527	17.5
491.28137	1.1
492.15771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
52.40284	0.3
54.63893	0.3
59.01380	4.4
59.59091	0.3
61.98829	1.9
65.03954	0.4
65.93259	0.3
66.09914	0.3
69.32446	1.6
69.32857	0.7
71.01381	3.4
72.99277	0.4
73.02941	0.9
75.00874	0.6
84.95098	0.6
85.02958	0.9
88.98782	0.4
89.02448	1.2
93.03458	1.3
93.07074	0.4
95.01399	0.4
95.05029	0.5
99.00905	0.5
101.02431	2.4
105.01965	0.4
108.02177	0.9
109.02953	7.3
111.95245	0.3
113.02463	1.4
116.92873	0.4
117.03440	1.9
118.04247	1.5
119.05025	85.2
120.05344	2.3
121.02964	1.4
123.04533	0.7
124.01685	0.4
125.02425	0.4
133.02974	1.6
137.06087	6.4
145.02942	1.0
147.04474	2.3
148.05357	1.7
152.73389	0.3
161.04535	1.9
161.06050	1.1
162.03258	2.1
163.04005	100.0
164.04370	2.6
165.05554	6.9
166.78761	0.4
168.00616	1.0
169.01385	0.6
173.05977	0.4
173.41188	0.4
174.06918	0.5
183.02965	1.0
191.05615	1.6
219.06633	5.5
223.11174	0.3
223.39925	0.3
225.09256	1.3
255.02901	0.6
255.38557	0.3
267.10251	8.9
268.10440	0.4
269.08133	1.3
269.98071	1.4
271.08157	0.4
285.00500	0.6
294.40341	0.4
297.97552	2.9
307.08124	0.9
311.09247	12.5
312.09589	0.7
312.99796	4.6
328.02246	3.1
329.10498	2.5
359.20605	3.2
473.14383	0.7
491.07645	3.1
491.24619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
60.99305	1.4
61.98822	1.7
65.90208	0.4
66.31204	0.4
67.50852	0.4
71.01374	0.6
71.44700	0.5
72.99310	2.0
75.00871	100.0
76.01221	0.7
77.45797	0.4
87.00898	0.6
88.98807	8.7
89.02459	2.5
91.75670	0.4
101.02459	0.7
118.23955	0.5
121.02980	1.1
125.02450	0.9
169.01414	1.4
181.04980	0.4
191.05605	1.4
277.16415	0.4
299.05685	0.7
339.26721	0.4
357.14569	0.6
377.83957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35507	0.6
55.01858	0.7
55.65683	0.7
57.03449	2.1
59.01377	38.4
61.98827	5.7
69.03435	0.9
71.01380	8.1
71.05019	1.8
72.02145	1.0
73.02944	2.4
79.05521	0.8
83.01373	1.5
85.02940	5.6
85.06612	1.1
87.04512	47.5
89.02458	3.9
91.49654	0.9
95.01385	0.9
95.05005	0.8
97.03044	0.8
97.06567	1.1
97.66348	0.7
99.00914	1.0
99.04509	1.6
101.02442	6.1
107.01357	1.4
108.02171	2.6
109.02946	7.2
113.02457	4.0
119.03519	1.0
123.00885	1.8
123.04498	2.2
124.01646	1.7
125.02442	3.2
137.02397	2.0
137.09680	0.9
143.10777	1.6
147.08144	0.8
151.04079	0.8
155.10701	1.2
161.04590	2.5
163.06158	1.4
163.07622	1.6
168.00642	2.2
169.01382	3.1
169.02776	0.8
175.07532	1.1
176.04799	1.4
183.02962	2.9
190.02650	0.9
193.08612	2.0
204.04221	3.1
207.17554	2.9
219.06615	1.7
225.11276	1.0
225.18558	1.6
237.07784	1.7
255.83347	1.0
269.17566	100.0
270.17886	4.2
293.17584	3.6
300.99936	1.1
312.99973	1.5
329.23196	2.8
373.26086	1.3
431.22849	1.7
491.15646	23.9
491.28577	18.5
492.15778	2.0
492.30414	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	491.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27020	2.3
59.01367	11.0
61.98830	3.3
69.03434	2.2
71.01391	8.9
73.02932	3.0
85.02943	3.6
89.02457	3.4
99.08150	4.3
101.02458	14.6
108.58389	2.2
111.79742	2.1
113.02453	2.8
113.25179	2.1
120.75304	2.2
141.22929	2.2
166.74522	2.3
183.13904	5.4
191.14551	2.5
196.65895	2.6
209.11952	3.0
211.13432	23.2
216.95811	2.6
229.14397	12.2
297.18030	3.1
311.22372	2.8
329.23337	100.0
330.23730	4.6
353.23236	6.8
365.23254	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
57.03444	0.9
58.32757	0.7
59.01377	26.2
61.98819	1.1
69.70346	2.6
70.33216	0.9
71.01380	13.3
73.02930	1.3
83.01369	1.8
85.02965	4.3
87.00907	1.0
87.04505	2.0
89.02438	7.3
95.01379	1.5
101.02444	6.8
113.02439	4.0
119.03494	2.8
125.02464	1.0
125.09765	1.5
127.11244	1.3
167.10788	1.1
171.10274	4.4
201.11310	7.0
225.18393	0.9
241.18108	4.0
275.20148	1.1
293.21094	3.5
294.21667	1.0
300.99753	0.9
311.22299	12.4
312.22861	1.5
312.99829	1.3
329.23315	8.8
335.97849	0.8
473.27325	1.5
491.28595	100.0
492.28989	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	491.2861
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
52.89045	0.3
55.01884	0.7
57.03446	1.1
58.00598	0.3
59.01378	35.5
60.01706	0.3
61.35350	0.2
71.01379	14.9
71.05026	0.2
72.99316	0.6
73.02938	1.6
73.76878	0.3
83.01377	1.2
85.02950	4.3
87.00900	0.8
89.02444	10.5
95.01384	1.7
97.02981	0.3
99.00909	0.4
99.08152	0.6
101.02438	8.3
113.02444	4.6
119.03506	3.0
125.09750	0.6
127.11299	0.4
129.01981	0.2
139.11267	0.5
163.11304	0.9
171.10271	1.1
179.05701	0.4
183.13940	0.8
190.83565	0.2
193.12337	0.6
209.11925	0.4
211.13394	6.4
212.13654	0.6
229.14438	4.0
249.22269	0.7
275.34332	0.2
281.56534	0.3
293.21225	10.4
294.21594	0.5
311.22241	4.1
312.22699	0.3
329.23309	9.0
330.23697	0.4
341.10922	0.7
381.17102	0.3
385.41766	0.3
473.27625	0.5
491.28601	100.0
492.28949	7.1
503.74161	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.0
61.98829	4.8
64.79910	0.6
65.38962	0.6
71.01383	8.3
72.99281	0.5
73.02943	2.0
83.01385	1.2
85.02947	2.2
87.00913	0.5
89.02464	3.4
99.00858	0.6
101.02454	4.2
113.02448	1.8
119.03505	0.9
123.08210	0.6
125.02466	1.0
125.09718	2.3
150.98418	0.5
167.00240	0.5
171.10258	5.4
185.11816	0.7
211.13158	0.7
215.12834	0.6
311.22275	3.0
329.23325	11.1
330.23795	0.7
343.24762	0.6
348.17963	0.6
373.25894	2.2
473.27652	2.5
491.28616	100.0
492.28998	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01849	0.9
57.03444	1.5
59.01377	21.5
59.88996	0.7
61.98831	5.1
67.04265	0.7
71.01381	10.8
71.04983	0.7
71.44846	0.9
72.99302	1.2
73.02943	2.6
83.01376	1.8
83.04993	1.1
85.02941	4.9
87.00877	1.7
89.02440	6.1
95.01386	1.8
99.00899	0.8
101.02430	7.9
111.00845	1.2
113.02467	4.1
114.91234	1.0
115.94988	0.8
119.03512	2.0
125.02457	8.0
137.02460	0.8
139.04025	1.0
143.07069	0.8
145.02972	1.0
157.08629	0.8
169.01442	6.0
170.01801	1.2
171.10216	4.0
183.03033	1.5
187.53163	1.3
191.05579	2.9
194.14020	0.8
195.95677	0.8
209.15521	1.4
227.16537	1.7
293.21124	1.0
311.22266	2.6
312.99915	1.9
329.19678	1.4
329.23270	11.8
396.00079	1.0
413.21439	1.1
443.27713	0.9
473.27405	2.3
491.28616	100.0
492.28928	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	492.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57503	0.2
59.01374	3.6
60.01712	0.6
61.01801	0.4
61.98828	100.0
69.40316	1.1
71.01384	1.0
73.02950	1.1
74.03291	0.2
76.50317	0.2
81.82571	0.2
85.02973	0.2
87.00889	0.5
89.02463	1.0
101.02396	1.1
102.02815	0.4
103.02913	0.3
103.03995	0.4
105.01962	0.5
131.03500	0.3
163.06128	1.3
164.06485	0.8
165.06613	1.0
199.35657	0.2
206.07521	0.4
207.07596	0.3
432.18399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23282	0.3
57.02062	0.3
59.01373	4.0
61.98828	100.0
69.83145	0.6
69.83521	0.6
71.01392	1.8
80.12369	0.3
89.02444	2.4
98.21937	0.4
101.02460	1.3
113.02474	1.0
119.03540	1.2
125.02449	0.3
134.03748	0.3
136.26166	0.3
149.06027	0.5
161.04565	0.3
161.13408	0.8
179.05690	1.2
185.16374	0.3
205.12373	2.6
249.11314	4.1
272.40271	0.3
372.07831	0.3
397.62869	0.3
409.59814	0.3
429.17615	3.2
492.29117	0.5
508.50235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	91.7
61.98837	29.4
69.08263	35.1
71.01384	30.9
73.02942	31.4
82.43705	4.7
84.57481	4.4
85.02956	11.9
87.00880	6.6
89.02445	39.5
90.13441	5.4
90.55654	4.5
93.47789	5.2
101.02445	73.9
103.04024	21.2
108.02176	25.5
109.02979	14.8
110.76868	5.7
113.02464	7.1
115.04025	9.2
119.03497	21.4
120.59160	4.7
124.75922	4.6
131.03522	11.4
143.03517	15.8
163.04861	8.9
163.06125	100.0
195.13930	12.2
205.07166	36.6
239.12914	33.7
265.09271	14.7
292.78125	5.9
344.62692	4.9
387.40640	5.2
449.23969	41.4
492.28769	23.1
507.29898	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20814	0.8
59.01370	3.2
69.42316	3.8
69.88590	0.8
71.01380	2.0
73.79837	0.9
82.95414	1.1
84.95111	8.9
85.02956	1.2
88.98827	1.4
93.03463	2.1
94.20333	0.9
95.01392	2.0
96.96053	1.0
97.02956	2.7
107.01366	1.4
108.02169	12.2
109.02950	68.3
110.03289	1.2
113.02470	0.9
121.02952	18.7
123.00877	3.6
123.04531	1.4
124.01643	3.0
125.02450	8.1
133.02980	2.0
134.03728	2.8
135.04541	8.7
139.00375	1.2
145.02979	2.9
151.04001	6.9
160.01683	1.3
161.02403	6.3
162.03273	5.7
163.03996	17.8
165.00504	1.9
165.01912	35.2
166.99832	1.0
169.01428	10.4
176.90395	1.2
177.01912	2.7
178.02696	19.1
179.03413	3.5
187.03964	1.9
188.01099	1.5
189.01918	20.4
191.05605	4.9
201.05537	1.3
202.02666	1.1
202.06314	2.3
230.02129	4.4
241.04964	1.0
243.02859	1.4
243.06636	11.4
258.05127	1.2
269.04443	1.6
271.08252	5.3
285.04105	2.2
286.01779	2.0
286.04807	29.5
287.05554	14.9
300.99915	1.1
313.05615	4.6
326.72534	1.2
351.07019	1.5
438.21033	1.1
449.10855	100.0
450.11316	5.3
456.99734	2.2
465.06802	1.5
493.09882	76.6
494.10205	4.5
498.26535	1.0
519.23053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90904	8.6
59.01382	62.8
60.76619	8.8
61.98830	79.9
68.62733	8.1
71.01379	25.1
71.43329	9.4
73.02943	9.3
75.00872	22.4
85.02969	12.8
87.00890	12.0
89.02465	11.1
101.02452	10.0
101.87382	7.8
108.02258	10.8
109.02990	14.9
113.02467	12.6
137.02415	11.2
145.20911	7.7
148.01608	11.7
149.06108	50.0
161.15799	7.9
163.04036	61.8
189.01843	12.7
197.11868	16.8
251.11739	9.0
270.90726	8.9
281.06717	12.3
331.24857	27.1
375.27344	37.5
391.10413	10.3
433.24695	16.3
493.17703	100.0
493.29941	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.00587	1.9
58.27367	0.8
58.76834	0.7
59.01376	100.0
61.98542	1.3
61.98827	17.8
69.03433	2.0
71.01379	27.4
71.45412	0.7
72.99283	3.5
73.02946	47.5
75.00848	1.7
81.03455	1.2
81.36272	0.8
81.40059	0.8
83.01368	2.2
83.04998	0.8
85.02942	14.7
86.00079	2.4
87.00866	11.6
87.04504	5.9
87.43924	1.0
88.98808	1.2
89.02438	24.9
97.02934	1.5
99.00860	0.9
99.04512	1.0
101.02441	57.3
103.04009	21.5
108.02151	2.9
109.02937	2.5
110.03298	0.9
113.02444	3.7
115.04010	15.8
117.97315	1.8
119.03497	11.2
119.04990	2.4
120.05356	1.5
120.99700	1.8
122.06097	0.9
125.02437	4.8
127.03986	2.8
131.02635	1.4
131.03497	14.3
133.06682	0.8
133.21230	0.7
143.03505	14.6
145.05064	9.1
149.06071	5.2
152.01073	1.8
152.07166	1.1
153.01555	1.4
153.07451	1.0
161.02272	1.1
161.04517	1.1
163.06120	72.9
164.06361	1.1
167.10780	7.8
169.01266	1.1
179.05675	1.0
192.00699	1.9
193.01375	1.9
199.13440	1.0
205.07150	32.4
218.65068	0.7
233.61880	0.8
250.11578	1.6
265.09341	6.4
271.13391	0.8
284.11127	1.2
295.10452	0.9
331.12903	1.3
331.21103	1.5
346.66684	0.8
415.61136	0.9
430.17838	1.5
449.18906	1.9
493.11810	3.6
493.22876	30.6
493.30078	1.5
494.23239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03437	3.4
59.01380	96.8
61.98825	10.5
71.01382	54.4
71.27824	2.5
71.89909	1.9
72.99306	1.9
73.02955	7.4
75.00867	3.7
78.87107	1.9
81.03455	3.0
83.01382	3.9
85.02953	15.5
87.00880	5.1
89.02443	49.4
89.10840	1.6
89.45229	1.5
95.01383	4.2
95.30554	1.7
96.61576	1.6
97.02994	2.2
99.00875	3.1
101.02438	35.9
107.01398	5.9
108.02193	2.0
109.02940	5.6
109.52019	1.6
113.02459	19.8
119.03493	14.7
119.05042	6.8
120.05374	4.4
123.00906	4.4
124.01643	14.0
125.02448	5.9
131.03514	2.9
139.04021	8.8
142.83939	1.9
143.03491	5.0
149.04562	2.6
149.06041	1.8
159.02928	2.6
161.02452	5.0
161.04546	16.0
162.03236	3.7
163.04019	7.0
164.01114	2.2
164.04300	3.1
166.99771	1.9
168.00633	14.2
169.01424	3.8
178.02632	2.1
179.05585	16.9
183.02972	36.7
184.03293	1.9
190.02745	11.2
191.03352	2.3
192.00609	20.9
193.01381	6.5
194.02303	1.7
205.01450	6.9
206.02206	6.6
207.02995	8.2
214.65125	2.2
234.01665	27.7
239.09026	2.1
245.00887	2.9
246.01735	4.3
249.04034	30.0
271.19217	9.5
294.04059	4.2
303.08594	2.3
309.06094	17.4
315.00372	2.2
333.19370	2.3
362.30890	1.9
433.24384	100.0
434.24628	7.8
493.09976	30.2
493.17191	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	493.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63707	1.7
57.03460	2.8
57.94956	1.6
59.01385	14.5
61.98829	10.9
63.03511	1.5
63.75631	1.6
71.01379	8.0
73.02940	5.0
75.51632	2.3
83.49419	2.0
85.02927	3.2
85.75610	1.8
87.00850	2.0
89.02448	3.9
91.72263	1.5
94.72318	1.7
95.01368	3.3
101.02444	5.3
113.02451	2.8
119.03525	2.7
136.07727	1.9
157.12337	3.7
163.06126	2.1
185.11772	2.1
192.00677	2.5
235.27371	1.8
235.48892	1.9
259.45267	1.9
268.50409	2.2
331.24866	14.2
373.26105	2.0
375.27499	65.3
376.28140	3.6
406.05853	1.8
475.29745	2.2
493.30130	100.0
494.30560	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03437	0.9
58.00595	0.4
59.01377	9.6
61.98825	2.5
69.03448	0.4
69.11226	1.6
71.01375	8.0
72.99286	0.7
73.02944	2.7
75.00870	0.4
83.01379	2.0
85.02946	3.4
86.00084	0.4
87.00882	1.5
89.02443	1.1
93.65192	0.3
95.01367	0.6
97.02977	0.6
99.00872	0.9
101.02441	4.3
111.00864	0.5
113.02438	2.0
119.03508	0.4
124.01640	0.5
125.02440	0.9
125.09682	0.4
127.11281	1.8
137.72931	0.3
155.10736	0.7
157.12341	1.1
161.04561	0.3
166.18030	0.3
167.23376	0.3
171.10223	0.9
192.00562	0.3
201.11325	0.4
209.25766	0.3
261.04868	0.3
295.22769	0.4
313.23822	2.8
329.23260	1.3
331.24872	20.6
332.25189	1.0
355.24936	0.4
373.26062	0.5
405.23254	0.4
475.29111	4.5
491.29190	0.3
493.30145	100.0
494.30475	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.18388	0.3
69.33751	1.5
82.53761	0.3
98.21822	0.6
109.64066	0.3
112.58694	0.3
154.75850	0.3
206.51486	0.3
227.03485	4.5
229.05190	0.8
255.02989	7.5
256.03772	0.7
257.04602	0.3
284.03268	9.1
285.04001	8.2
349.06839	0.4
379.33972	0.3
431.09808	17.1
432.10510	0.9
440.55630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91988	0.2
56.13732	0.3
59.01370	0.9
61.76214	0.2
61.98828	100.0
68.21723	0.2
69.43605	0.6
71.01390	0.4
71.18513	0.2
73.02948	0.2
85.02986	0.3
89.02472	0.3
98.21856	0.4
101.02458	0.6
108.02191	0.3
109.02962	0.9
110.76109	0.2
125.02466	0.6
143.10780	0.5
152.07233	0.3
169.01360	0.3
177.01910	0.7
178.02353	0.3
189.02043	0.4
190.02353	0.4
217.01416	0.4
255.02892	0.5
265.27438	0.2
284.03278	0.6
285.04007	0.3
301.12009	0.4
341.06696	0.4
342.06955	1.3
345.14413	0.3
431.09946	1.0
435.22406	0.4
494.19159	1.3
494.29968	0.3
502.76843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
59.01383	19.3
61.98818	8.4
67.83416	1.9
71.01379	23.6
73.02938	14.3
76.44398	2.4
83.01384	8.8
85.02946	16.2
93.46603	2.2
99.00863	4.0
101.02429	35.1
113.02444	13.1
119.03465	1.6
124.30860	1.7
125.02410	1.8
148.04156	1.9
154.10658	1.9
161.04533	7.9
170.34630	1.9
209.11647	2.1
277.29501	1.9
305.19681	64.2
324.85016	2.1
374.13950	2.0
374.18518	3.3
408.02332	2.2
408.65353	2.3
418.17761	7.4
451.25464	100.0
452.25323	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	494.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09919	0.4
54.17422	0.4
61.98825	0.5
63.91552	0.4
69.23131	2.0
70.55322	0.4
81.03460	2.0
83.05028	5.0
88.98817	0.7
98.21809	0.8
108.04514	0.4
125.07246	0.9
154.61250	0.5
167.89005	0.5
169.01338	0.4
207.15045	0.6
224.17714	1.3
225.16039	4.7
245.20816	0.5
294.53531	0.5
324.26727	0.6
333.22849	1.2
351.24078	0.6
357.46716	0.5
367.27054	1.1
392.67404	0.5
405.60938	0.4
433.31949	3.2
451.32867	100.0
452.33188	7.4
453.69315	0.5
492.28888	0.5
494.33405	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	494.9288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
91.15086	0.6
95.00968	0.6
98.22601	1.6
99.39687	0.5
111.60580	0.5
134.96088	10.2
135.91496	0.9
136.94006	22.3
137.94041	0.6
150.93915	0.8
151.92747	1.1
152.91759	43.5
167.90453	2.3
170.92764	0.6
171.84950	0.6
178.95050	39.8
179.95203	1.4
194.92802	74.5
195.93025	0.7
201.02571	2.1
212.93866	5.6
217.00346	1.3
226.88564	9.4
250.94066	0.8
252.91858	1.6
266.91922	0.7
268.89618	14.6
288.83099	1.6
290.79330	0.7
292.95044	4.9
294.92957	7.7
310.90668	37.8
336.93961	53.8
337.94254	4.2
352.91714	100.0
353.92078	1.8
383.78696	1.3
404.80859	0.8
432.77045	1.0
488.82794	0.8
494.92691	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	495.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34435	1.7
50.95570	1.4
59.01386	3.8
60.25945	1.4
64.47663	1.4
67.01898	1.5
71.01386	4.0
71.45447	1.6
75.00870	2.5
85.02966	1.3
87.00875	1.7
95.01385	3.2
97.02980	2.9
98.95596	1.7
107.01393	4.7
109.02973	3.6
111.00877	10.0
123.00910	10.4
124.01680	9.2
125.02454	28.1
125.03310	2.4
137.02419	4.0
139.00360	19.4
139.04054	2.8
140.01204	2.7
149.06071	11.4
151.00409	3.3
152.01189	5.3
153.01923	2.2
164.01152	24.8
165.01884	4.4
165.05540	2.4
166.02745	6.8
166.99852	38.1
167.03484	6.5
168.00621	8.1
169.01422	30.2
174.58372	1.4
177.01904	4.0
179.03485	3.6
181.01491	2.2
183.03038	4.7
185.00865	2.6
189.01889	1.5
190.99913	4.9
192.00621	11.6
193.01347	10.0
194.02208	23.1
195.03029	5.1
201.05856	1.8
205.01349	2.3
206.02235	5.9
207.03027	6.3
208.00134	45.8
209.00919	37.5
209.04536	4.4
210.01724	5.0
211.02470	24.9
221.00920	5.8
223.02475	25.3
225.04071	4.9
234.01646	2.5
241.03442	1.7
250.01210	3.6
251.01906	2.4
265.03333	2.1
271.04620	28.4
285.06128	5.6
312.04797	3.6
327.07214	6.5
333.19089	1.9
343.06616	1.8
477.07080	3.1
495.07877	100.0
495.15042	9.2
495.31934	4.5
496.08139	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	495.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23493	0.4
57.42521	0.4
59.01368	1.5
65.17882	0.4
67.01878	1.5
69.03438	1.3
69.32623	2.3
71.01373	1.5
81.03453	0.6
83.05003	0.5
85.02952	2.8
85.37261	0.4
87.00861	0.8
93.03457	8.3
94.03011	0.5
95.01384	1.7
96.99324	2.3
102.63889	0.4
107.01388	5.3
109.02942	0.9
111.00872	1.1
111.04531	2.7
113.02450	0.6
123.00879	3.4
124.01653	1.5
125.02448	48.0
126.02808	0.7
127.04018	0.9
137.02486	2.7
138.05611	1.4
139.00342	0.5
140.98271	0.9
141.01921	0.4
143.03467	0.8
145.02798	0.4
151.00366	0.6
155.03522	3.2
165.01881	0.5
166.99838	0.6
168.00684	0.5
169.01424	100.0
170.01758	1.9
173.04541	22.2
180.12160	0.4
191.05618	24.4
193.01396	1.4
201.01892	0.5
211.02484	1.2
257.00897	0.6
269.12827	0.5
273.00201	0.6
275.01846	2.1
276.02280	1.3
289.03503	0.5
299.98981	1.2
300.99918	4.1
302.00214	2.1
325.05618	9.1
327.13303	0.4
343.06689	66.4
344.06888	3.3
423.05563	1.2
464.97263	0.5
495.07718	13.8
496.08118	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	495.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.25687	0.6
64.85662	0.5
67.01886	1.6
67.79543	0.5
69.03456	1.2
69.17740	1.9
69.18147	1.1
71.01380	1.5
81.03458	1.1
83.05033	0.6
85.02938	2.3
87.00883	0.8
93.03452	7.6
95.01393	1.2
96.99332	2.7
97.02963	0.7
99.04474	0.7
107.01373	4.8
109.02956	0.6
111.04498	2.8
113.02451	0.8
123.00915	3.2
124.01646	1.3
125.02450	45.7
126.02792	1.0
127.04016	0.7
135.26591	0.6
137.02432	3.1
138.05589	0.7
139.00484	0.6
143.03445	0.8
155.03473	2.6
166.99864	0.6
169.01419	100.0
170.01773	2.3
173.04544	21.8
191.05595	23.6
193.01347	1.3
211.02438	0.7
275.02225	1.0
276.02258	0.7
300.99844	2.2
302.00180	1.2
325.05615	8.5
339.95441	0.6
343.06686	68.9
344.07120	2.3
402.12006	0.9
495.07657	16.2
496.08365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1145
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01378	11.8
59.64366	0.9
69.03422	0.9
71.01374	2.3
71.45145	0.9
78.91892	1.4
83.01417	0.8
85.02943	1.6
95.01409	1.9
101.02458	2.4
106.04224	1.1
107.01398	5.2
107.05046	1.3
108.02162	2.4
109.02946	12.3
109.06576	3.3
111.00843	1.5
113.02457	1.5
119.05048	5.1
121.02956	5.7
122.03700	1.4
123.00880	9.7
123.04437	0.9
124.01665	5.7
125.02444	33.5
126.02785	1.2
132.43867	0.9
134.03712	2.5
135.04501	4.5
137.02435	1.9
137.06090	26.7
139.00356	2.6
141.01952	1.6
147.04515	2.4
149.06078	9.8
151.00375	2.7
165.01855	0.7
165.05513	2.3
166.99850	2.5
167.03421	1.5
167.07127	0.9
168.00650	2.4
169.01416	48.0
170.01765	1.0
181.05060	81.2
182.05330	1.7
183.02994	1.1
191.05611	1.2
192.00648	1.4
211.02509	1.0
241.08762	0.9
261.57849	0.7
313.05649	17.0
315.12451	1.7
327.07098	1.5
333.19125	2.8
343.10397	12.9
409.56616	0.8
421.11450	1.5
435.09290	4.2
467.79785	0.9
472.28162	0.9
477.03076	1.2
495.11426	100.0
496.11520	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	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.9
59.01375	18.6
60.16565	0.5
61.98841	0.6
66.64944	0.6
67.05497	0.7
71.01377	10.6
73.02948	5.2
81.03465	0.8
83.01377	3.4
83.05006	1.8
85.02955	6.4
87.00874	2.5
89.02490	0.9
93.94889	0.5
95.01392	2.2
95.81304	0.5
99.00881	1.1
99.04533	1.1
101.02433	6.5
108.02167	18.5
108.02904	1.0
109.02947	82.7
109.06567	1.1
110.03297	1.1
113.02444	4.0
119.08662	1.2
120.05824	0.9
121.06568	1.1
123.00832	1.5
123.04521	0.7
125.02505	0.7
133.10217	1.6
135.04509	0.9
135.08112	3.9
135.11777	2.0
137.09712	16.5
149.09731	0.8
151.03975	0.9
153.05528	0.7
156.12947	0.5
159.02963	1.0
161.04561	5.9
161.09679	5.6
163.07635	13.3
179.10767	7.6
181.08701	13.6
197.11810	3.4
203.10834	0.8
205.08710	1.4
221.11868	0.6
223.09735	6.3
223.26750	0.6
241.10800	1.1
247.09744	0.6
253.07071	0.8
271.08212	0.9
272.46121	0.7
323.14972	0.9
325.13043	1.5
373.17383	0.6
385.29657	0.5
396.94382	0.6
459.18521	0.9
477.17737	2.7
495.18674	100.0
496.19168	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53115	1.2
55.01877	4.8
57.03462	2.6
59.01378	68.5
61.98840	6.8
64.51272	1.1
69.03451	1.7
71.01381	52.1
73.02945	21.4
77.20516	1.3
81.03462	2.3
83.01383	13.4
85.02946	24.9
87.00878	3.3
89.02454	6.9
95.01385	3.6
97.02944	3.2
99.00886	6.6
101.02444	42.2
103.04018	6.3
109.02963	3.1
113.02448	17.6
119.03506	3.1
125.02444	6.9
128.53050	1.4
143.03525	3.0
145.05043	1.8
159.03021	3.1
161.04575	17.3
163.06102	5.4
179.10785	1.4
229.29649	1.4
241.14337	1.7
289.16547	48.8
290.16913	2.1
383.22394	1.4
409.19757	1.4
435.22314	100.0
436.22681	5.6
495.31799	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	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88966	0.6
54.61395	0.7
55.01886	0.9
57.03444	1.3
58.00594	1.0
59.01379	100.0
60.01706	0.7
60.25207	0.7
61.98832	7.8
69.03466	1.0
70.37364	0.6
71.01380	32.5
72.99328	1.1
73.02944	17.6
75.00878	0.7
81.03466	1.0
83.01387	5.0
85.02943	10.1
86.72507	0.6
87.00866	4.5
87.04529	2.3
89.02444	36.9
93.03474	0.8
95.01409	2.0
97.02962	1.4
97.21461	0.6
99.00926	0.9
101.02443	45.2
103.04014	12.9
108.02217	0.7
113.02454	9.9
115.03999	5.4
119.03509	17.7
125.02448	4.1
127.04037	1.1
131.03516	6.2
143.03497	11.1
145.05031	4.3
161.04585	3.3
163.06122	46.9
179.05612	6.4
190.02431	0.8
205.07181	16.6
231.20323	0.7
241.14436	0.9
265.09268	3.2
289.07254	1.1
289.16589	5.7
289.59100	0.7
435.22336	51.9
436.22931	2.2
495.30307	2.2
496.21191	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	496.073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83434	1.0
59.01386	2.8
61.98828	26.4
62.71982	1.1
65.22874	1.0
69.34396	2.9
69.34783	2.3
71.01385	2.5
83.01358	1.1
107.01379	1.8
108.02174	2.1
109.02940	2.5
121.03004	1.9
125.02403	2.2
148.01549	1.2
151.00381	7.4
169.01292	1.5
178.99825	5.4
187.13338	3.6
227.03548	1.6
243.02898	5.1
254.02313	2.3
255.02988	18.9
270.99490	2.3
271.02463	43.2
272.02887	2.7
273.04028	1.4
299.01846	1.7
300.02728	86.6
301.03473	46.3
302.03680	1.2
350.01401	1.2
391.97876	1.3
402.21515	1.2
402.97974	1.1
433.07684	100.0
434.08084	4.5
496.11227	2.8
511.39655	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	496.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	17.1
65.00306	1.2
66.86038	0.9
66.90278	0.9
83.01407	1.4
93.72396	1.0
96.80309	1.1
98.21800	1.9
107.01392	2.8
108.02190	1.3
109.02979	2.4
111.41969	1.1
116.17249	1.0
121.02955	2.9
139.44293	1.0
148.01617	1.3
151.00363	13.7
163.00404	2.7
164.01245	1.1
178.99857	8.2
192.00603	3.0
193.01042	2.5
227.03558	3.0
229.05107	1.2
243.02934	7.0
245.04544	2.1
254.02280	2.1
255.02963	19.6
256.03159	1.6
271.02472	42.7
272.03036	2.9
273.04153	1.7
283.02451	1.5
300.02731	81.1
301.03506	69.3
302.03995	2.4
433.07718	100.0
434.08179	6.6
496.10818	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	496.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49667	0.9
59.01382	2.9
60.83491	0.9
69.40953	3.3
71.01389	1.8
72.99310	6.6
74.02474	6.4
75.33269	0.9
84.71584	1.0
89.02450	3.9
95.99653	0.9
100.90675	1.1
111.81346	1.2
113.02483	1.3
114.73444	1.0
115.00375	1.0
118.02972	1.6
119.21576	1.1
123.00847	2.7
124.01669	1.4
125.02428	7.3
129.86868	1.0
132.04543	6.3
132.24899	1.1
133.01456	8.4
159.03275	21.5
160.04041	100.0
161.02377	1.0
161.04372	1.7
168.00656	1.5
169.01411	9.1
180.00610	2.8
189.02084	1.3
191.05551	1.5
194.99399	1.3
204.03014	56.8
204.08804	4.2
204.87039	1.2
217.01503	1.3
229.01538	1.3
245.00879	1.7
247.02452	3.1
261.00449	1.2
273.00418	1.9
275.01700	1.2
298.98306	1.0
300.99820	3.1
314.97195	2.0
315.97568	1.9
345.08206	5.5
424.06113	1.6
426.53476	1.0
496.03922	1.3
497.09387	4.4
523.14026	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	497.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78041	2.6
59.01358	5.0
96.89181	2.3
107.01382	9.1
116.90144	2.2
123.00848	4.0
124.01669	30.6
125.02454	58.9
137.02423	4.0
138.03282	15.3
139.03970	4.8
151.00383	4.4
152.01151	19.8
153.01849	2.6
166.02753	13.9
166.99849	3.5
168.00685	17.8
169.01425	71.2
177.31529	2.5
178.02678	5.5
180.00650	47.7
181.04979	2.9
183.02956	13.0
192.00607	6.9
193.01352	6.1
194.99428	14.4
195.00983	2.7
195.02995	9.1
196.03734	10.2
197.04504	3.1
208.03809	2.6
210.01657	4.1
211.02441	23.9
222.01691	6.2
225.04034	12.2
234.01730	4.4
241.03549	11.5
247.11591	2.6
255.05019	7.1
271.04575	18.9
301.05600	4.8
301.27481	2.3
307.17697	2.8
312.04758	5.5
313.05743	5.8
327.07242	17.3
330.05783	9.1
331.06696	5.2
345.08286	99.1
346.08521	3.8
350.30869	3.5
382.71170	2.3
437.07147	7.0
453.10309	8.0
497.09375	100.0
498.09872	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32258	0.6
52.96565	0.4
55.28220	0.5
59.01378	2.8
67.01874	0.7
69.03452	0.6
71.01369	2.4
79.01883	1.0
81.03451	1.1
83.01374	0.9
84.22223	0.5
85.02936	0.6
88.98798	1.7
90.52989	0.5
95.01376	1.4
97.02970	0.6
98.05451	0.5
101.02425	0.8
107.01386	10.1
109.02975	1.0
111.00884	1.6
113.02433	1.4
123.00877	13.6
124.01653	15.4
125.02447	34.5
127.00355	0.9
137.02440	1.4
138.03267	4.1
139.00371	2.2
139.03011	0.8
139.04005	9.8
140.01166	1.4
141.01939	2.8
151.00365	4.7
152.01128	0.6
153.01900	0.9
155.03436	0.6
161.02420	0.5
165.01886	0.9
166.02751	0.6
166.98451	0.7
166.99854	13.5
167.03523	1.0
168.00635	14.4
169.01421	47.2
170.01765	0.6
181.01451	0.5
182.02222	5.3
183.02971	35.0
184.03307	0.7
192.00552	0.9
193.01433	4.7
197.04495	0.9
210.01689	26.1
211.02457	12.4
212.02902	0.6
225.04039	48.8
226.04393	1.3
240.02794	0.8
241.03496	1.0
255.05048	3.5
270.03735	1.2
271.04587	2.7
285.06149	20.7
300.79443	0.6
312.05011	0.9
313.05685	5.9
327.07233	2.1
331.06674	0.8
335.04108	0.7
345.08145	1.8
437.07217	3.7
473.80411	0.6
497.09344	100.0
498.09763	6.0
520.05725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67360	0.8
59.01377	3.9
68.59775	0.6
68.78033	0.8
69.03453	1.4
69.65173	2.5
71.01376	4.9
72.99312	1.1
73.02917	1.3
79.01888	0.8
82.00594	0.8
83.01389	1.0
85.02933	1.7
87.00880	1.1
89.02441	0.9
93.03467	1.0
95.01388	1.5
96.95998	0.9
97.02941	1.7
98.22623	0.7
101.02433	3.2
107.01379	10.1
109.02934	1.2
111.00863	2.4
113.02452	1.5
121.02956	1.1
123.00890	12.0
124.01660	26.4
125.02445	67.8
126.02783	1.3
136.98793	1.7
137.02452	2.3
138.03206	2.9
139.00365	2.6
139.04028	6.1
140.01149	1.9
141.01898	1.3
142.11969	0.7
149.99632	0.8
151.00354	4.8
152.01167	1.4
153.01854	1.4
161.02478	2.1
163.06068	2.3
165.01901	1.9
165.68637	0.8
166.02638	0.9
166.99855	5.4
167.03494	1.7
168.00638	37.9
169.01421	78.6
170.01718	1.4
177.01958	1.0
179.03395	1.1
180.00630	2.9
181.01456	1.9
182.02203	1.5
183.02980	27.6
184.03201	1.0
191.05650	0.7
192.00673	0.8
193.01410	4.8
194.99313	0.9
195.02931	1.3
207.03032	0.8
210.01715	6.6
211.02470	15.3
225.04050	10.3
234.01688	0.9
241.03505	2.5
255.05009	2.3
271.04593	3.7
285.06235	5.0
287.07727	3.1
301.00171	0.9
312.04889	1.3
313.05646	20.6
327.07156	5.3
330.05789	0.8
331.06720	8.2
335.07690	1.1
345.08191	6.2
363.64743	0.7
372.09097	0.9
437.07190	12.5
437.20023	1.0
453.10278	8.8
497.09335	100.0
498.09695	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	497.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98818	0.9
69.03459	1.9
71.01376	2.0
77.72259	0.7
81.03461	0.6
82.97887	0.5
83.01380	1.8
85.02932	1.0
88.98797	3.1
89.02465	0.8
89.30507	0.6
95.01384	1.9
96.95992	0.8
97.02934	3.0
98.21778	1.1
101.02451	1.5
107.01390	8.0
109.02940	2.1
123.00887	10.4
124.01662	27.6
125.02448	43.7
132.48314	0.6
135.04544	0.8
137.02429	4.1
138.03265	1.4
139.00430	1.0
139.04012	8.0
149.99588	33.7
151.00366	3.5
152.54416	0.7
165.03987	1.0
166.99834	2.1
167.03490	1.1
168.00644	67.0
169.01401	9.7
179.03519	0.8
182.02142	0.7
183.02985	20.7
192.00655	0.6
193.01367	1.4
194.99275	0.6
209.01041	1.2
210.01712	0.8
211.02477	1.9
225.04024	1.7
270.00867	0.7
271.04694	0.8
312.04782	0.9
313.05783	5.2
327.07095	4.6
331.02902	1.2
331.06674	18.0
331.10614	1.0
437.20441	1.4
451.21527	1.1
453.10422	3.1
479.09055	0.7
497.09357	100.0
498.09659	7.9
514.95343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69101	0.5
59.01378	26.7
61.98810	1.3
68.75620	0.5
69.54465	2.5
69.64344	0.6
71.01376	11.7
73.02937	1.3
83.01363	0.9
85.02958	4.0
85.12488	0.6
89.01972	0.8
89.02446	6.2
91.01913	1.9
93.03445	1.7
95.01383	1.1
101.02446	5.2
102.92049	0.6
107.05035	1.1
113.02450	6.2
119.01379	6.9
119.03504	1.3
121.02979	3.9
125.02418	2.1
134.03772	1.4
135.04558	2.9
139.21852	0.7
147.00877	6.0
147.04539	1.3
149.02441	35.3
151.03967	0.6
152.01128	0.8
162.03218	1.0
163.03986	8.2
164.04791	37.3
165.01917	2.3
165.05519	1.7
169.00148	0.6
169.01376	3.3
175.00357	42.6
176.00798	1.4
177.05551	2.4
178.06363	1.9
179.05661	0.9
179.07140	10.8
181.05098	0.8
189.01935	1.4
190.02716	100.0
191.03453	8.7
192.04231	0.8
193.01361	3.0
203.07094	2.6
205.05048	80.4
206.05789	16.1
207.02994	3.6
207.06361	1.1
208.03763	10.9
209.04509	1.9
217.01335	0.6
221.08185	19.8
223.06108	70.3
224.06491	1.7
232.03764	1.2
235.02388	1.4
237.07700	6.0
247.06133	6.4
250.04823	6.1
251.05678	2.2
251.08995	0.7
261.07767	0.7
265.07156	75.9
266.07489	2.2
277.07172	1.0
279.06876	0.6
289.07025	0.8
295.08218	59.4
296.08469	1.8
310.06882	1.1
319.08246	0.7
325.09271	94.1
326.09579	2.1
345.15045	0.8
367.10474	1.1
385.11444	9.1
435.13052	1.0
497.16650	14.4
498.17175	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	497.2027
Annotation	Brianodin D
Peak:m/z	Relative Intensity
57.03435	1.5
59.01377	27.7
61.81112	0.8
71.01378	3.0
73.02940	5.8
81.03471	0.8
83.01385	5.4
85.02943	2.7
85.53377	0.8
87.04519	1.7
95.01376	1.1
99.00904	0.9
99.04521	0.8
101.02446	2.6
104.86868	0.7
108.02171	28.0
109.02951	100.0
109.06544	0.9
110.03324	1.7
113.02453	2.0
118.36485	0.9
123.04505	0.9
137.05974	0.8
139.11292	21.8
151.04051	1.2
165.09308	1.3
169.12271	2.1
176.21814	0.7
179.10791	0.9
181.12355	5.5
183.10255	33.0
184.10873	0.8
193.05043	1.1
199.13348	1.3
225.11304	8.4
231.10434	0.7
243.12268	4.1
282.76917	0.8
291.12320	1.0
327.14471	2.4
479.19244	4.2
497.20267	74.2
498.20428	4.4
503.21658	0.8
505.17200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	3.4
58.00564	2.6
59.01378	100.0
61.98820	11.9
63.98283	2.5
67.08354	2.8
67.72983	2.6
69.21629	18.1
71.01382	28.3
73.02943	42.5
80.09943	2.7
82.91805	2.9
85.02938	14.9
86.00111	3.9
87.00871	11.7
87.04503	7.9
89.02445	31.1
91.82266	2.6
101.02441	58.3
103.04011	25.7
109.02903	4.4
115.03996	7.7
119.03503	15.7
125.02433	5.4
127.04036	3.2
131.03505	13.8
143.03520	13.4
145.05096	5.7
158.68007	2.7
163.06117	59.3
163.07379	5.7
192.13358	2.9
205.07166	27.1
265.09421	3.7
314.24777	3.3
345.22000	3.1
497.20782	7.3
497.27240	8.2
497.32141	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	497.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86714	22.0
59.01387	93.0
61.98824	100.0
71.01386	57.1
73.02931	35.0
89.02451	40.0
101.02467	49.8
108.02190	25.3
109.02941	39.9
113.02478	26.3
144.99951	25.2
167.10803	30.4
184.72890	25.9
291.17972	28.7
299.12601	27.9
329.06454	59.8
370.02100	25.6
436.38208	27.8
437.23688	45.5
474.54031	24.4
497.19797	26.0
497.31906	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.4
57.03457	3.4
59.01379	54.5
61.98819	2.7
69.03441	1.0
71.01379	32.4
72.99316	1.4
73.02945	19.8
75.00854	0.8
80.91673	0.8
83.01388	13.0
85.02946	20.1
86.00111	1.2
87.00867	1.9
89.02439	5.0
95.01360	3.0
97.02971	1.5
99.00879	5.0
101.02444	44.1
102.02757	0.6
103.04024	2.0
103.60764	0.6
109.02991	1.2
111.00889	1.3
113.02452	15.8
113.03241	0.9
125.02454	2.9
129.01936	1.1
143.03473	1.4
145.05113	1.4
151.07607	0.7
159.02982	2.5
161.04552	11.3
161.05869	1.1
163.06203	0.9
169.01364	1.0
199.13399	1.4
229.07175	0.6
247.08121	1.3
255.79643	0.6
291.18130	57.7
292.18552	2.1
437.23898	100.0
438.24176	5.0
497.21442	0.9
497.31088	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	498.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98964	0.2
55.02795	0.2
59.01385	0.6
61.36341	0.2
61.98827	100.0
72.58939	0.2
81.03483	0.3
83.01386	0.2
84.55866	0.2
93.03471	0.4
101.02426	0.2
109.02952	0.2
119.05030	0.5
123.04503	1.5
125.02436	1.3
149.02444	0.2
151.53403	0.2
154.55246	0.2
167.03497	6.0
167.04889	0.4
179.03581	0.4
183.10222	0.2
273.07678	8.3
274.08115	0.4
285.04132	0.3
292.44540	0.2
301.03857	0.2
356.51132	0.2
435.13052	2.0
498.20779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
61.98829	100.0
69.11584	5.0
69.11999	3.4
71.01387	5.4
73.02941	2.5
84.57802	1.3
85.02949	2.5
87.00903	1.7
89.02448	1.6
90.15598	1.2
101.02436	7.1
113.02454	2.9
125.02413	1.2
166.40828	1.1
178.53026	1.2
202.66655	1.1
233.02411	1.2
291.18170	4.3
292.18472	4.1
310.27103	1.5
317.89624	1.3
353.03107	1.8
437.23944	3.2
438.24216	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	499.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45196	0.9
59.01361	2.8
61.98828	5.5
63.02021	0.9
63.02397	2.2
65.00328	4.1
69.22024	4.0
71.01383	1.7
73.02981	1.4
73.55447	0.9
74.53010	0.9
83.01385	3.7
85.02966	1.5
101.02408	1.8
107.01386	8.5
109.02987	5.1
121.02946	1.4
124.01638	1.4
125.02451	13.6
136.01689	3.0
137.02452	6.9
149.02457	1.6
151.00377	38.7
152.01164	9.1
163.00372	9.4
164.01155	13.2
165.01939	6.6
165.03154	1.1
169.01465	3.0
178.99861	37.7
180.00433	1.6
190.99878	7.0
191.05615	3.4
192.00597	2.5
193.01370	5.3
199.03909	1.7
227.03542	3.5
229.09721	1.9
232.83936	0.8
243.02910	2.4
245.04634	1.8
255.03000	3.0
271.02451	6.8
273.04037	2.1
289.03500	1.0
299.01981	11.6
300.02719	2.7
301.00543	1.2
301.03506	7.7
316.02271	13.3
317.03012	78.6
318.03363	3.0
347.07825	0.9
399.75275	1.0
439.22015	1.2
452.33084	1.9
463.08829	100.0
464.09125	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	499.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.8
59.84914	0.9
61.98819	3.7
63.02398	2.0
65.00323	3.8
69.33283	1.7
69.33671	2.7
71.01385	2.4
78.91829	1.0
83.01398	3.3
85.02936	1.8
93.03427	1.8
98.22606	2.0
101.02446	2.3
107.01385	10.1
109.02967	2.6
121.02948	10.5
123.00894	1.2
125.02425	3.7
142.87129	0.9
145.02928	1.1
149.02499	1.3
151.00372	50.2
169.01382	4.2
178.99846	21.9
189.04640	0.9
192.00641	2.3
193.01332	1.4
243.71556	0.9
245.04555	1.3
255.03113	1.2
273.03998	3.0
300.02829	2.2
301.03522	100.0
302.03860	4.4
315.05237	1.6
441.00043	1.0
463.08826	92.2
464.09027	5.2
499.18320	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	499.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93861	0.6
59.01376	2.4
59.47293	0.6
60.99307	14.0
61.98816	2.6
71.01396	1.3
80.91682	5.3
87.00874	1.8
88.00423	1.1
88.98804	100.0
89.02440	44.7
94.89194	0.6
108.02148	3.3
109.02964	1.5
117.03465	1.0
119.05014	1.4
123.00892	0.9
125.02417	1.9
138.75197	0.7
145.02946	4.9
151.00337	1.9
163.03993	1.0
168.00694	0.8
169.01396	2.0
185.02219	1.1
206.07498	0.6
219.33804	0.7
245.75540	0.6
300.02557	1.1
301.03427	2.5
417.11816	1.4
439.10074	5.0
463.08395	0.9
499.18130	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	499.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54796	18.6
59.01373	66.7
59.39373	19.0
61.98825	100.0
69.11422	94.8
69.11826	38.7
71.01371	29.6
73.02950	19.7
85.02917	20.5
89.02436	29.1
96.35598	18.5
130.14214	20.7
142.56401	16.7
144.54369	18.9
151.07632	34.7
169.68257	19.0
187.33574	19.7
315.71799	24.8
335.41687	22.5
368.93643	20.4
481.31787	22.3
499.22882	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36479	0.4
55.63757	0.4
61.98829	100.0
69.57697	1.4
71.01382	0.5
73.02946	0.4
82.95432	2.6
84.00906	0.9
84.95081	0.5
98.21917	0.8
107.01385	2.1
108.02187	1.1
109.02953	2.7
113.02454	0.4
123.00903	0.9
124.01682	2.5
138.03236	0.7
139.04024	2.6
159.74080	0.4
166.99936	0.5
168.00633	2.7
169.01453	1.0
183.02982	8.0
297.06256	0.5
312.04987	0.6
327.07098	2.2
348.43365	0.5
437.10876	27.8
438.11005	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	500.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47411	0.3
61.98829	100.0
63.14987	0.4
64.05204	0.4
67.27592	0.3
82.95422	1.3
83.01430	0.4
86.17777	0.4
98.21910	0.9
102.76637	0.3
107.01389	1.7
108.02200	0.8
109.02964	2.8
123.00879	0.6
124.01704	2.0
139.00394	0.4
139.04034	1.9
167.42538	0.4
168.00653	2.9
169.01468	0.7
183.02980	7.7
186.55217	0.3
267.05359	0.3
297.06366	0.5
313.05569	0.4
327.07300	2.6
361.39569	0.3
422.08661	1.2
437.10886	23.4
438.11075	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	500.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88230	0.2
57.64761	0.2
57.90207	0.2
59.01373	0.7
61.98828	100.0
69.32041	0.4
69.32437	0.7
71.01379	0.6
89.02454	0.7
94.60781	0.2
97.51534	0.2
101.02449	0.2
118.31826	0.2
119.05030	0.3
131.03526	0.3
145.02994	0.8
163.04041	0.4
205.04987	0.3
232.38150	0.2
235.06133	0.3
265.07242	0.7
325.09369	0.2
336.07611	0.2
398.22214	0.2
437.14108	0.3
482.19742	0.4
522.26563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33307	0.1
60.72054	0.2
61.98828	100.0
69.79910	0.4
74.19563	0.1
94.47771	0.1
118.53426	0.2
119.04977	0.2
145.03012	0.4
161.06064	0.2
163.04091	0.3
191.52736	0.2
205.05061	0.2
235.06207	0.2
265.07251	0.6
327.50961	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	500.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01682	0.2
59.01382	0.3
61.98828	100.0
62.98513	0.2
66.08376	0.2
66.69878	0.2
69.41615	0.5
69.42005	0.5
88.51718	0.2
93.95071	0.2
96.96017	0.3
121.03024	0.2
157.55171	0.2
176.50877	0.2
233.54227	0.2
268.74142	0.2
414.33542	0.3
508.59756	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	500.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13118	5.9
59.01376	21.8
61.23158	5.9
61.98827	100.0
63.99248	7.9
69.28017	33.6
71.01378	16.9
75.00900	8.8
82.95403	7.4
89.02479	14.3
90.11669	7.3
96.49883	7.0
101.02448	9.8
108.02209	7.5
109.03005	10.1
109.25315	6.0
112.56821	5.9
114.78052	6.7
118.76405	6.9
119.05027	12.8
123.00817	9.1
123.08027	8.8
124.01649	29.4
125.02513	16.0
126.02824	8.5
127.07618	10.1
137.06003	9.5
151.07646	8.1
183.10260	57.6
197.11794	47.0
225.11304	63.0
225.23091	7.7
236.89995	6.4
245.04556	18.9
246.04903	13.7
273.02768	6.3
287.05484	8.8
311.64133	6.8
386.09378	6.9
500.13147	57.6
500.20276	11.8
503.76968	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	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18498	0.1
58.54937	0.1
59.01379	0.3
61.98829	100.0
68.20107	0.1
69.29846	0.3
71.01408	0.2
73.57849	0.1
81.47859	0.1
101.02467	0.2
102.66291	0.1
132.09224	0.1
294.19070	0.1
310.65475	0.1
383.68558	0.1
439.24738	0.1
440.24881	0.4
443.77441	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	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98831	100.0
69.63494	1.6
71.01385	2.3
82.95402	0.7
85.02937	0.8
87.30634	0.4
89.02457	1.6
101.02492	1.2
106.00955	0.5
113.02416	0.6
130.84132	0.4
149.04604	0.8
270.29727	0.4
366.59064	0.6
462.28497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	80.4
60.01722	0.5
69.76949	1.2
70.13253	0.4
103.70852	0.4
132.98183	1.0
157.03554	3.6
159.01512	1.2
174.99243	24.9
185.01064	0.4
199.98671	0.4
201.02541	32.6
202.02745	1.2
214.43054	0.4
217.00288	100.0
218.00650	1.4
234.22655	0.4
268.89957	0.3
343.03687	2.9
359.01447	73.0
360.01611	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	501.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
64.94110	0.3
69.48933	1.5
70.90216	0.3
71.01366	1.3
82.03282	0.4
84.94617	0.3
85.02950	10.4
87.00873	1.8
89.02443	1.2
93.03456	3.2
98.22607	0.6
99.00874	0.3
99.04529	0.4
101.02393	0.4
109.02919	0.5
111.04518	1.1
113.02518	0.4
119.03452	0.6
127.03988	2.6
129.05569	0.6
171.03026	0.5
173.04480	0.9
179.05669	0.8
191.05603	100.0
192.05994	1.7
211.48851	0.3
226.82355	0.3
267.84415	0.3
309.11899	2.2
462.75748	0.4
501.12045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
64.02910	0.3
67.01854	0.4
68.95071	0.3
69.71503	1.3
71.01384	1.8
73.02944	0.8
79.16660	0.3
81.03427	0.5
85.02449	0.6
85.02944	9.3
87.00867	1.9
89.02430	1.1
93.03445	2.8
108.33568	0.3
109.02970	0.7
111.04501	1.1
113.02441	0.8
119.03490	0.7
127.03992	1.7
129.05547	0.6
154.65834	0.4
162.24608	0.3
170.67398	0.4
171.02966	0.8
173.04510	0.8
179.05603	0.9
191.05600	100.0
192.06004	1.6
275.82578	0.3
309.12009	1.8
341.90195	0.3
497.08481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25122	1.0
57.03440	2.4
59.01376	91.7
61.98831	10.1
71.01377	64.7
71.01968	1.3
72.99307	2.6
73.02943	17.4
80.41481	1.1
82.95410	2.4
83.01379	4.7
85.02939	11.5
87.00873	2.2
89.02441	100.0
95.01373	1.4
95.29871	1.1
97.02961	1.8
98.21806	2.7
98.40531	1.0
99.00870	1.2
99.66447	1.0
101.02441	43.3
103.80744	1.1
113.02436	11.4
119.03519	5.9
125.02433	3.2
131.03506	28.3
143.03503	1.7
149.04549	71.2
156.37599	1.1
161.04469	2.4
174.04326	1.2
191.05592	11.9
192.21162	1.2
193.06566	34.8
194.06923	1.3
275.41837	1.3
314.55270	1.3
328.40512	1.4
346.78894	1.2
369.19138	1.5
423.93881	1.1
492.60794	1.1
501.20792	5.7
501.30817	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	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03446	14.5
58.00586	2.1
59.01377	82.1
61.90474	0.4
61.98826	7.0
69.03455	8.0
71.01379	100.0
71.04990	0.6
71.44422	0.4
72.01723	0.8
72.99298	2.2
73.02943	12.3
73.03362	0.6
75.00878	0.8
79.01892	0.8
81.03448	4.6
82.95410	0.8
83.01385	5.7
85.02949	16.6
87.00872	2.9
88.26402	0.3
89.02443	96.3
90.02774	0.7
95.01388	2.8
95.05030	0.4
97.02338	0.7
97.02946	9.9
99.00889	4.1
101.02441	28.5
103.04010	0.5
105.20264	0.3
107.01396	0.7
109.02929	0.4
109.06606	1.7
111.00858	1.2
111.04463	0.5
113.02448	16.9
114.02711	0.5
115.03986	0.8
119.03493	4.7
121.06538	0.6
123.08068	0.5
125.02444	31.7
127.04034	0.4
131.03503	24.6
133.06577	0.9
137.09723	3.9
139.03967	1.4
139.07617	1.2
143.03485	4.4
149.04553	29.6
149.09705	1.0
151.11264	0.5
159.02927	0.8
161.04559	7.7
165.12796	0.7
169.01311	0.5
173.04489	1.2
179.05592	0.4
189.12819	1.0
191.03918	0.7
191.05615	12.5
192.11552	7.7
207.13893	29.0
208.14156	0.9
215.05524	0.7
233.06653	8.4
293.08783	18.6
294.08951	0.4
307.10294	0.4
369.19269	1.7
374.37195	0.4
440.86084	0.3
482.82495	0.4
501.22772	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	502.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12595	1.4
59.01381	2.1
61.98810	3.0
69.03431	1.7
69.94840	3.9
71.01361	1.5
72.14004	1.2
74.92943	1.3
95.01407	2.6
98.01611	1.3
107.01356	4.2
111.00874	2.1
113.56132	1.5
123.00873	10.9
124.01670	21.4
125.02447	52.5
137.02414	1.8
139.00385	2.1
139.70976	1.5
140.01114	1.5
147.04433	1.6
148.10219	1.8
149.06076	3.2
151.00397	1.9
160.26053	1.5
161.02475	2.0
168.00632	5.9
169.01407	33.9
169.02785	2.4
170.01854	1.5
191.05589	2.6
211.02429	5.7
271.04623	9.5
275.77689	1.5
299.99188	3.0
300.99704	4.1
313.05603	11.4
339.07202	6.0
340.07547	10.9
346.27762	1.6
423.09232	3.1
439.08789	100.0
440.08987	5.1
457.17120	1.5
525.90723	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	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73785	0.5
59.01384	2.6
59.10437	0.5
61.98835	2.6
69.31933	2.1
71.01403	1.2
73.02958	0.5
78.95940	0.4
82.95425	0.4
85.02979	0.4
89.02476	1.2
93.16653	0.4
101.02457	1.4
108.02210	0.7
109.03024	0.5
121.02979	0.5
124.30339	0.4
125.02444	0.9
132.02203	3.3
133.02963	0.8
134.03758	1.8
136.01648	1.7
138.03215	0.7
147.04517	0.5
149.06096	0.5
151.04028	0.4
160.01672	14.5
161.02486	2.9
162.03185	1.5
164.01175	6.9
166.02736	1.2
175.04016	18.2
176.04688	1.3
177.02003	0.9
178.02757	1.1
178.99869	3.1
179.03508	0.4
183.91533	0.4
189.01907	0.5
190.02727	2.5
191.07153	1.5
192.00653	100.0
193.01390	9.2
193.05077	2.4
194.02200	3.6
205.01393	2.6
205.05078	0.4
206.02167	2.7
207.02985	57.9
208.03302	1.2
217.04990	0.7
221.00819	0.8
222.01692	1.6
234.01689	7.1
235.02475	0.5
235.06087	2.5
237.03920	0.8
249.04044	5.7
250.62599	0.5
295.08267	5.7
309.06003	1.1
312.04816	1.8
326.41840	0.5
327.07251	3.4
371.20880	0.5
379.53131	0.4
454.19049	0.4
467.26181	0.4
488.09430	1.0
502.33865	0.5
503.04575	0.8
503.11948	10.2
503.24084	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	503.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19257	0.5
57.08789	0.4
59.01375	7.5
69.25379	2.3
71.01372	3.8
73.02938	1.3
79.95724	2.5
85.02951	1.1
89.02431	2.9
90.97131	1.3
93.03413	0.5
96.96008	100.0
97.93137	1.4
98.93887	0.4
99.80013	0.4
99.92588	0.9
100.93373	0.6
101.02443	1.9
113.02460	1.0
113.92593	1.0
114.93425	2.4
115.92081	0.5
116.92859	4.1
125.02448	0.7
131.03542	0.5
149.04573	1.6
157.57640	0.4
161.04544	0.6
163.39629	0.4
169.01468	0.5
172.97693	0.9
174.99214	4.3
181.12347	1.4
191.05576	0.8
201.11295	0.7
222.99318	0.7
225.11325	2.0
239.05983	3.8
253.07597	0.9
257.19800	0.5
260.90842	0.5
279.09113	4.1
281.06998	2.1
297.10300	0.8
299.08142	1.9
307.05099	0.5
307.08643	1.5
309.10477	0.6
311.08124	1.8
323.07977	0.8
325.09842	0.7
333.10223	1.0
405.17554	2.0
443.12350	36.2
443.18506	1.5
444.12778	2.2
467.09225	0.7
503.10577	2.0
503.25342	2.6
516.53455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56273	0.7
57.03442	1.6
57.55678	0.6
59.01377	0.9
59.88327	0.6
61.98831	8.4
81.03480	1.4
83.01389	1.6
89.02404	0.7
95.01408	0.9
96.95995	2.7
97.02968	2.3
107.01386	1.1
109.02976	6.0
112.20105	0.6
116.92876	1.4
121.02969	1.1
123.00881	1.1
123.04513	4.1
124.01687	3.6
125.02444	56.7
135.04521	1.0
137.02469	5.4
139.04045	1.3
145.02940	2.5
149.02463	1.7
150.02977	0.7
151.03999	3.7
159.04497	1.1
161.06107	1.7
164.01157	1.0
165.01920	1.9
166.99881	1.2
167.03461	0.9
168.00648	1.3
169.01421	100.0
170.01801	2.5
179.03497	2.1
187.04019	1.8
191.05630	4.7
193.01440	3.8
203.07130	5.1
205.05074	2.4
227.07141	1.0
244.51825	0.8
245.08147	5.9
253.05084	1.0
256.75089	0.8
259.06140	1.3
271.06100	5.0
289.07166	34.6
290.07498	1.6
303.05093	2.0
331.04443	2.6
353.08829	1.4
409.28946	0.7
441.08258	37.9
442.08594	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	504.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
69.50300	2.6
71.01389	1.5
74.83441	0.6
85.02972	1.3
86.29888	0.7
101.02406	1.6
101.56074	0.5
103.05520	1.3
109.02950	15.1
111.38710	0.5
113.02472	0.7
119.05028	2.6
123.04586	0.7
132.05826	1.3
133.02998	3.7
133.06596	100.0
134.06924	1.9
134.73450	0.6
137.06114	4.6
146.03761	0.8
147.04523	41.4
148.05304	6.4
161.04570	2.2
165.05576	19.1
166.05833	0.6
201.96631	0.7
237.12874	0.9
239.10767	1.6
271.08237	1.8
281.11826	30.7
282.12091	1.3
299.12860	11.3
452.11401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49918	5.9
59.01377	100.0
61.44923	5.0
61.98834	32.7
63.56380	5.0
67.65578	5.2
71.01382	48.2
73.02947	21.7
75.12534	5.6
83.01421	6.1
85.02941	16.6
87.00867	6.4
89.02438	52.1
101.02448	58.2
103.04006	14.9
113.02440	17.8
115.04016	6.7
119.03499	20.3
125.02460	10.0
131.03535	13.2
143.03482	9.3
158.50116	5.6
161.04611	12.8
163.06126	61.6
191.05629	8.6
205.07201	18.4
236.50311	5.9
251.48396	6.1
265.09366	5.7
371.20892	10.9
372.21051	33.0
461.23865	17.8
504.25406	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	4-O-Galloylchlorogenic acid
Peak:m/z	Relative Intensity
59.01395	0.9
65.75443	0.8
67.01888	1.4
69.75581	3.1
71.01373	0.9
82.82642	0.8
85.02940	5.1
87.00896	1.1
93.03464	9.8
96.96011	1.8
98.22576	1.4
107.01395	4.0
109.02937	1.2
111.04536	3.9
121.12715	0.9
122.93573	0.9
124.01800	1.0
125.02451	41.9
127.03988	1.0
135.04518	2.8
137.02451	3.1
155.03542	2.6
161.02487	2.2
169.01425	100.0
170.01770	1.8
173.04547	23.4
179.03508	2.9
191.05611	70.4
325.05701	6.6
339.24295	0.9
343.06705	75.3
344.06992	3.4
353.08740	13.3
419.36835	1.0
505.09900	20.0
506.10284	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	505.0987
Annotation	4-O-Galloylchlorogenic acid
Peak:m/z	Relative Intensity
59.01378	6.9
64.13838	0.5
67.01876	0.7
68.99541	0.7
69.03472	1.3
69.13790	1.4
69.14190	2.5
71.01381	3.8
72.76247	0.7
72.88387	0.6
72.99318	0.8
73.02950	0.7
75.00871	25.7
81.03471	1.1
85.02948	4.9
87.00886	1.1
89.02439	1.5
93.03447	9.5
96.95980	0.7
97.02958	0.8
99.92594	1.3
100.93343	1.0
101.02455	1.5
107.01392	4.8
109.02952	1.0
109.18002	0.6
111.00798	0.8
111.04533	2.6
113.02438	1.6
116.92851	4.9
117.92929	0.7
119.03522	1.6
124.01653	0.9
125.02448	45.3
127.04006	1.0
133.02899	0.7
137.02438	2.6
155.03496	2.8
161.02460	2.1
169.01425	100.0
170.01723	1.5
173.04553	21.8
173.44118	0.6
191.05611	65.2
192.06056	1.0
193.01367	1.0
274.88641	0.7
325.05743	3.7
343.06693	74.0
344.07074	2.6
353.08752	13.9
373.31339	0.8
445.17117	1.2
505.10406	9.2
505.26578	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	505.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.06181	0.7
56.80115	0.8
59.01379	29.3
61.98803	0.9
64.47694	0.8
71.01383	11.4
71.05017	0.9
72.99295	1.5
73.02933	2.0
79.95740	0.9
83.01384	1.2
83.93078	1.0
84.93852	5.0
85.02950	2.9
87.00860	3.5
89.02431	7.8
94.40473	0.8
95.01390	1.0
96.96004	10.9
98.95586	10.5
98.96403	2.8
99.00878	2.2
99.92583	51.6
100.92695	1.3
100.93358	31.8
100.94030	1.7
101.02439	7.4
101.93349	1.2
109.02940	1.0
113.02440	2.9
115.92072	32.7
116.92856	100.0
117.92845	2.8
119.03484	3.7
122.03745	1.3
123.04439	1.3
123.08138	1.1
125.02450	1.2
126.94915	5.4
131.03513	1.1
132.28693	0.8
134.03711	1.2
136.01649	4.1
137.02432	1.8
141.93698	2.2
142.94398	2.6
151.03954	5.4
154.94403	3.1
155.95164	1.0
156.95993	1.0
160.01640	3.1
161.02414	0.9
167.95207	1.8
168.96025	1.7
169.01389	1.9
171.94696	1.9
175.04021	3.5
179.05724	1.1
179.10751	1.0
181.12312	1.1
182.97473	1.9
184.95493	2.1
191.05629	2.2
196.95465	1.0
199.97733	1.0
201.11398	1.3
209.11688	1.7
225.11261	1.2
229.16025	1.2
233.02643	1.7
242.96017	2.9
244.97560	2.7
245.19012	1.1
251.03807	1.0
259.96359	1.7
261.97784	1.6
263.03815	2.4
265.05341	8.2
267.03375	1.6
280.04022	3.5
281.04837	5.6
293.04703	1.1
307.02802	2.0
307.06210	1.2
307.19211	1.6
308.03558	1.1
309.00940	1.8
309.04358	23.0
310.04675	1.4
325.03842	4.6
325.20111	4.3
335.05869	3.8
343.11746	7.1
343.21289	2.0
395.04486	1.3
433.20859	2.0
440.07083	1.2
445.12839	4.4
461.14514	2.2
469.08105	13.3
470.08676	1.1
487.09381	5.2
487.25049	4.1
505.10193	87.6
505.26434	64.1
506.10165	6.4
506.26855	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	505.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
59.70084	0.8
60.99303	14.9
61.98824	1.7
64.74429	0.8
64.80418	0.8
69.56107	0.8
70.80896	0.9
71.01389	1.7
85.02954	3.6
87.00867	2.1
88.98804	100.0
89.02443	41.4
89.03014	1.7
91.30251	0.8
93.03457	4.4
96.96033	1.5
107.01380	3.0
109.02966	1.0
111.04530	1.3
125.02446	17.8
127.04033	1.1
137.02446	1.6
155.03502	1.6
159.02921	1.0
161.02460	1.4
169.01418	38.7
173.04565	9.6
184.48923	0.9
185.04506	1.6
191.05606	69.6
192.05994	1.7
234.56345	1.1
325.05640	2.6
343.06683	26.5
353.08734	12.3
505.10059	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	505.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73893	0.2
53.22971	0.2
55.60527	0.2
59.01362	1.3
66.04826	0.2
68.80591	0.2
69.03459	0.2
69.48057	0.4
69.48460	0.7
69.85768	0.2
71.01370	0.8
73.02948	0.3
83.05025	0.4
85.02945	7.8
87.00862	1.3
93.03448	2.8
99.04546	0.4
101.02399	0.3
109.02924	0.6
111.04511	0.9
117.71085	0.2
125.02412	0.2
127.04005	1.8
128.93019	0.2
137.02486	0.2
163.02428	0.3
171.02943	0.5
173.04491	0.8
191.05602	100.0
192.05945	1.3
193.05940	0.3
236.38268	0.2
305.89993	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	505.2655
Annotation	Platanionoside H
Peak:m/z	Relative Intensity
56.32827	0.4
57.03456	0.7
58.51852	0.4
59.01377	57.6
61.98837	1.0
71.01379	17.8
71.45027	0.4
72.99308	1.1
73.02951	1.3
78.99214	0.4
82.95383	0.5
83.01408	1.6
84.60909	0.5
85.02955	4.8
87.00891	0.7
89.02442	16.1
93.03480	0.6
95.01334	1.0
96.96014	0.5
97.06595	0.7
99.00880	0.7
101.02440	11.1
109.02968	0.7
109.06600	0.5
113.02443	6.6
116.92853	1.1
119.03500	5.6
119.05012	0.8
123.12486	0.4
125.02440	0.5
131.03474	0.6
134.03752	0.6
137.02477	0.9
137.09727	0.6
160.01640	1.1
161.04546	0.9
171.10222	0.6
175.04022	1.1
179.05598	1.7
179.10864	0.7
181.05066	0.5
191.05612	0.5
205.04999	0.9
209.11800	1.1
215.12843	0.7
217.01263	0.5
221.69321	0.4
271.08292	0.4
292.72433	0.4
299.99310	0.5
307.19144	0.6
325.20081	1.5
343.11725	1.0
343.21530	1.9
389.25357	0.9
447.13058	1.2
487.25568	3.2
505.26526	100.0
506.26834	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	505.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.43744	0.5
57.03439	1.3
58.00581	0.8
58.48160	0.5
59.01377	35.4
61.98827	1.2
65.03953	0.7
66.92631	0.5
69.03449	0.7
71.01379	19.2
71.05007	1.4
72.99287	0.6
73.02927	2.0
74.25889	0.6
83.01357	1.5
83.05048	1.0
84.02164	0.6
84.95113	1.5
85.02945	5.4
87.00864	0.8
89.02443	12.4
90.19894	0.5
90.79675	0.5
92.14471	0.5
92.53935	0.5
95.01406	1.3
97.06589	2.6
101.02444	9.5
101.41966	0.5
109.02932	0.6
111.08141	0.8
113.02444	6.3
115.04002	0.7
116.92848	0.9
119.03553	3.0
119.05043	1.9
121.06619	0.8
122.06200	0.6
125.02422	1.0
125.09723	1.0
132.02185	6.0
133.02946	1.1
133.06580	0.7
134.03732	22.7
135.04091	1.3
145.02972	3.0
145.03905	0.6
147.04523	2.5
148.05281	1.1
149.06067	6.1
150.06424	0.7
151.04018	1.1
155.43480	0.6
160.01651	34.6
161.01988	2.3
161.04625	1.0
161.05931	1.0
162.02078	0.6
163.03987	1.3
163.07550	0.6
169.01390	0.7
171.10226	0.8
173.06047	1.1
175.03998	35.6
176.04720	7.2
177.01918	1.4
178.02663	3.3
185.11797	4.5
191.05602	1.2
191.07144	11.2
192.07381	0.9
193.05049	33.7
194.05385	2.8
195.05554	0.8
197.11832	2.1
198.02029	0.5
199.13412	0.7
205.05067	1.9
207.06609	2.1
209.11830	13.5
211.13399	0.9
217.05031	1.7
221.08133	0.6
221.11780	1.4
227.12999	0.7
235.06108	38.0
235.13315	1.5
236.06406	2.8
237.06676	2.0
239.12875	0.8
248.52637	0.6
259.15314	0.9
263.20078	1.2
265.07172	27.1
266.07495	2.3
267.07794	1.5
295.08224	32.5
296.08585	3.7
297.08774	2.9
307.19116	2.3
309.20828	0.6
325.09222	1.1
325.20126	4.3
327.21591	3.3
337.09143	0.9
343.21243	11.8
344.21616	0.5
355.10324	12.8
356.10648	1.0
357.10849	1.3
387.24142	0.6
467.15561	19.0
468.16019	0.9
469.16199	4.6
487.25461	1.2
505.26520	100.0
506.26761	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	505.317
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
57.03206	0.6
57.03448	7.9
59.01345	0.9
65.32714	0.7
69.03453	3.4
75.35469	0.8
81.01031	0.7
84.58398	0.8
106.67390	0.7
107.05020	3.2
109.06592	44.1
109.13328	0.7
112.82436	0.8
115.87616	0.6
124.18560	0.8
135.74507	0.6
141.81734	0.7
150.90135	0.7
183.73817	0.6
313.25397	7.3
327.26947	1.6
341.28366	3.8
355.30096	1.4
357.10364	0.8
357.28033	2.2
367.26492	1.7
381.28061	0.9
389.30640	7.8
443.31381	3.5
461.32733	34.8
462.33209	1.7
505.31693	100.0
506.32098	5.6
532.31464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10697	0.7
59.01376	4.9
60.52919	0.6
61.98827	5.0
69.33226	3.1
71.01376	2.4
73.55671	0.6
73.73784	0.6
86.31087	0.6
89.02443	1.1
89.31139	0.6
90.71301	0.6
92.82131	0.6
95.01395	0.8
97.02943	0.8
101.02441	0.8
107.01398	2.8
113.02498	0.8
123.00888	2.4
124.01652	11.8
125.02448	18.0
134.30109	0.7
135.43994	0.6
139.00366	1.1
140.01163	0.8
151.00386	1.7
167.03467	1.5
168.00630	10.9
169.01424	30.4
170.01747	0.8
191.05594	0.8
211.02469	55.9
212.02820	1.9
239.45566	0.7
241.03551	2.5
269.86865	0.8
271.04584	100.0
272.04950	3.1
325.15714	0.6
331.06686	30.8
331.10660	1.7
332.06592	0.9
344.06781	0.8
399.01538	0.9
443.11960	46.6
444.12125	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	507.1142
Annotation	Moghanin A
Peak:m/z	Relative Intensity
59.01379	12.1
60.99296	1.3
61.98823	3.7
67.06824	0.4
69.03462	3.0
69.73426	1.6
71.01379	6.1
73.02946	0.5
75.00896	0.4
81.03461	1.2
82.95417	0.7
83.01389	1.4
85.02953	1.6
87.00878	0.5
88.98806	7.6
89.02443	4.9
93.03436	0.5
95.01387	2.1
97.02940	2.2
101.02436	3.5
107.01387	1.3
108.02199	0.7
109.02946	1.0
113.02435	2.4
116.92867	4.1
117.03499	0.7
118.02386	0.4
119.03502	1.7
121.02953	1.0
121.68311	0.4
122.68100	0.5
123.00891	8.1
124.01662	19.9
125.02449	42.1
126.02749	0.7
132.02135	0.9
134.03749	6.6
135.99411	0.4
137.02484	2.9
139.04004	0.6
140.15648	0.5
149.02422	0.5
149.06071	1.2
149.99585	35.9
151.00386	2.6
151.03935	0.6
160.01648	9.3
161.02409	1.5
161.04507	0.8
165.01939	0.7
167.03503	1.0
168.00641	64.1
169.01404	6.0
175.04007	11.7
179.03535	0.6
179.05519	0.5
182.02202	0.5
190.02736	1.2
192.00580	1.0
193.01338	0.6
193.05052	4.2
205.05026	1.4
207.03024	0.6
234.01753	0.8
249.04015	1.2
274.32465	0.4
309.06137	1.3
313.05728	3.9
327.21759	1.8
331.06689	15.8
337.09302	0.9
345.22806	1.6
347.66025	0.5
389.25610	0.5
475.08911	0.6
489.10571	1.4
506.27197	0.7
507.11414	100.0
507.27921	27.8
508.11783	7.4
508.28467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01376	3.7
71.01371	2.1
71.45182	0.2
73.02935	0.3
82.95394	0.3
85.02930	0.4
89.02444	0.6
93.03443	0.5
101.02458	1.2
108.02162	0.9
109.02936	0.9
113.02449	0.7
121.02971	0.9
123.00883	0.7
123.01763	0.3
124.01745	0.3
125.02443	0.6
129.35954	0.3
133.02907	0.4
136.01663	1.7
137.02428	1.4
138.03220	0.9
149.02451	0.3
149.99452	0.3
152.01138	0.4
153.05589	0.4
155.03520	0.3
161.02466	1.6
161.04570	0.6
162.03209	1.7
163.00385	0.5
163.03960	0.3
164.01155	7.8
164.02548	0.5
165.01862	0.5
166.02731	0.5
166.99866	0.3
171.10214	0.3
177.01894	0.8
177.99007	0.3
178.99812	2.9
181.01419	1.0
182.02206	0.8
183.02962	0.6
189.01958	0.7
190.02701	2.1
190.99789	0.3
192.00632	100.0
193.01324	7.6
194.02148	2.9
195.02789	0.3
196.03783	0.3
197.04529	1.4
201.11357	0.4
205.01440	1.9
206.02197	1.9
207.02966	65.3
208.03293	2.0
209.04713	0.3
221.00749	0.4
222.01659	0.9
224.03317	0.8
225.04076	0.4
234.01672	7.2
235.02281	0.8
237.04063	0.8
239.05589	1.9
249.04008	4.4
255.02997	0.8
284.03125	0.7
285.04077	1.3
294.03656	0.6
299.07693	7.6
309.06073	1.0
312.04822	0.8
327.07297	0.7
345.22723	0.5
411.46127	0.3
431.09964	1.9
448.46994	0.4
492.09082	1.1
506.28534	0.3
507.11423	6.8
507.28125	8.1
508.11581	0.4
508.28641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01377	100.0
60.01714	1.9
61.98825	7.9
69.29929	11.4
71.01385	32.0
71.33229	1.9
73.02949	28.0
81.93073	2.3
82.95417	4.6
83.01392	5.5
85.02938	14.2
87.00877	5.2
87.04530	2.6
88.98812	2.3
89.02447	30.1
98.27676	2.1
101.02439	51.7
103.04006	18.8
108.02203	2.9
109.02937	6.5
113.02445	11.8
115.04021	7.8
119.03471	12.9
123.04540	2.8
125.02441	6.5
131.03503	7.0
143.03528	10.1
145.05049	7.0
158.33597	2.1
161.04547	4.3
163.06119	61.0
169.53128	2.0
177.01945	6.6
179.05655	2.8
183.02452	2.0
189.01971	7.9
205.07156	20.2
217.01384	6.3
247.20624	2.6
253.14377	5.6
265.09192	4.1
301.16577	6.5
315.18002	3.5
327.21637	5.2
341.06592	18.4
344.18375	2.3
345.22757	32.4
357.06189	2.3
387.24030	3.0
397.05463	2.4
447.22375	21.4
507.15402	3.6
507.27438	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56914	0.7
59.01383	0.7
64.10110	0.7
69.12707	0.7
78.95901	22.0
80.71754	0.6
96.96959	1.2
134.98503	0.7
150.55214	0.7
152.99586	37.8
171.00641	1.7
194.82573	0.8
227.03181	4.4
238.69232	0.6
244.19778	0.7
245.04309	1.4
263.49261	0.6
279.23285	100.0
280.23602	3.9
306.55075	0.7
401.19379	0.9
415.22614	0.8
507.27222	71.1
508.27341	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	508.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28563	0.2
55.41743	0.2
56.42045	0.2
59.01380	1.3
61.98828	100.0
71.01382	0.7
72.01192	0.3
74.99097	0.3
85.02981	0.3
85.80584	0.3
89.02450	0.7
90.87646	0.3
93.03456	4.1
101.02466	0.7
107.01434	0.3
109.02943	0.3
113.02481	0.4
118.97504	0.3
121.02968	0.3
123.00863	0.6
123.04532	0.5
125.02454	4.0
126.02796	0.5
137.02446	10.6
137.03502	0.6
137.71931	0.3
138.02808	0.3
138.05655	0.3
151.04031	0.9
158.87668	0.3
161.02486	1.1
165.01875	0.4
169.01454	2.1
170.01733	0.4
171.01868	0.3
173.04729	0.3
179.03455	0.4
190.65082	0.3
191.05687	0.8
237.86545	0.3
277.42703	0.3
289.07385	0.4
290.84369	0.3
300.99850	0.6
344.07126	0.3
345.07257	0.4
346.07440	0.5
346.16022	0.5
463.12497	0.3
464.12817	1.6
508.11154	0.7
509.12991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
57.76632	0.6
59.01368	2.6
60.99302	0.8
61.74528	0.6
65.43085	0.7
67.01884	4.3
69.03445	1.8
71.01382	3.3
81.03478	1.1
83.05024	1.3
84.95111	1.2
85.02956	2.0
93.03460	26.7
98.22665	1.6
105.01938	1.3
107.01392	12.6
109.02934	1.0
111.00872	1.5
111.04520	7.1
113.02457	0.6
121.03025	0.7
123.00925	0.9
124.01669	6.1
125.02441	29.1
126.02786	0.6
137.02437	7.6
139.04015	9.5
143.03433	0.8
155.03494	6.3
168.00613	9.4
169.01422	52.8
170.01767	1.4
173.04544	100.0
174.04933	1.2
183.02983	35.6
184.03293	0.7
191.05606	24.7
211.02475	0.9
225.03979	0.8
325.05573	6.3
339.07135	1.7
343.06683	25.5
357.08264	53.2
358.08664	1.8
446.12338	0.8
469.60953	0.7
509.02551	1.0
509.09427	10.6
510.10083	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	509.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87874	1.7
53.82817	1.7
56.94468	1.8
59.01374	3.2
60.05555	1.7
70.92989	2.0
75.00895	2.5
81.21706	1.9
82.95419	11.0
84.95119	100.0
87.91171	2.2
91.72337	2.1
93.03429	2.6
97.02951	5.3
105.69927	2.0
107.69028	1.9
109.02948	31.5
123.00885	3.2
125.02428	5.7
133.03004	2.0
135.04518	67.6
143.05022	5.8
147.04584	2.4
148.05334	3.6
149.06085	38.9
156.90024	2.1
161.02538	4.1
161.06050	17.1
163.07614	3.5
165.05566	3.5
169.01413	8.7
171.04489	6.9
173.04543	8.3
173.06017	3.7
174.03224	6.1
177.05611	15.6
179.03499	5.0
181.50279	1.9
183.03003	5.9
189.05553	67.6
191.03520	4.4
191.05579	9.3
191.07097	3.8
207.06616	60.1
219.06595	3.0
221.04491	19.3
221.06155	1.8
231.06607	8.0
235.06140	8.9
239.05644	5.0
249.07674	4.1
251.05586	4.3
253.06859	2.1
269.37415	2.1
275.05478	2.1
297.09521	2.7
300.99609	2.5
305.90768	2.3
311.07718	21.3
311.11133	3.6
343.06641	2.0
357.08231	4.3
369.11862	8.9
383.09995	5.6
401.10950	10.2
409.83328	1.9
413.10852	60.5
414.10962	3.7
415.12524	5.4
423.09381	13.6
424.09293	3.2
443.12289	9.5
455.11761	5.7
473.13004	49.8
474.13181	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	509.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78205	2.2
58.91151	2.1
59.01377	66.3
116.52913	2.2
132.98206	2.2
169.01460	3.0
174.99232	26.6
187.10851	2.7
191.05635	3.0
217.00285	100.0
217.11852	5.0
235.36945	2.4
252.19403	2.5
277.00156	2.7
434.00946	2.3
509.05972	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	509.1295
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
58.31740	0.2
59.01383	1.7
61.98817	0.5
65.92608	0.2
67.01891	0.3
69.03462	1.6
69.12902	0.9
69.13302	0.4
71.01376	0.8
73.02943	1.1
75.00875	0.4
79.01902	0.5
81.03464	1.8
83.01415	0.2
89.02447	0.3
95.01421	0.3
97.02957	1.8
101.02442	0.5
103.04034	0.8
107.01376	4.5
108.02185	0.9
109.02987	1.1
111.00892	0.3
113.02454	0.2
121.02966	0.3
123.00882	1.7
123.04535	0.4
124.01674	1.2
125.02441	80.3
126.02789	1.2
130.37773	0.2
139.00375	0.3
139.04001	0.3
151.00313	0.3
161.04547	0.3
166.99745	0.4
167.03423	0.6
168.00636	1.3
169.01416	100.0
170.01767	2.1
175.02689	0.3
176.71877	0.2
181.05034	0.7
183.02992	0.6
193.01381	0.3
208.57951	0.2
255.05103	0.8
287.18558	0.4
296.05365	0.3
297.06158	0.6
327.07242	0.7
339.06610	0.2
348.69330	0.3
372.87991	0.3
399.09314	4.1
449.20142	0.3
508.31305	1.3
509.12943	53.0
510.13235	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	509.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
57.03441	2.6
59.01378	53.1
64.05541	0.8
69.03448	1.9
69.47073	3.9
71.01377	41.4
72.99318	1.1
73.02943	20.3
75.00880	1.6
81.03445	1.6
83.01388	12.1
85.02950	18.4
87.00867	2.6
89.02447	7.3
95.01385	2.7
96.96001	1.2
97.02935	3.3
99.00331	0.8
99.00857	4.8
101.01783	1.9
101.02438	32.0
101.03097	2.1
103.03989	5.5
109.78797	0.8
113.02451	13.4
119.03512	2.4
123.00862	1.2
125.02454	9.9
141.79199	1.0
143.03488	2.3
145.05031	1.3
152.07146	1.1
159.02985	3.3
161.04541	19.2
163.06096	5.5
169.01390	4.1
175.02388	0.9
219.39824	0.9
229.07083	1.6
247.08351	2.3
284.03201	1.4
285.04221	2.1
303.06390	39.8
307.10333	3.8
399.72479	0.9
407.73230	0.8
447.09171	2.6
449.12183	100.0
450.12897	4.9
509.16083	1.7
509.29684	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	509.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07028	0.5
57.03431	0.9
57.28722	0.6
59.01382	4.2
61.98830	11.5
63.01994	0.6
65.00362	0.6
68.36687	0.6
69.03474	0.8
69.35651	2.4
71.01376	12.1
72.02138	0.7
73.02943	46.9
81.03487	0.8
83.01391	1.0
85.02943	3.1
87.04498	2.3
89.02456	2.2
92.72626	0.6
95.01383	1.1
97.02950	1.5
101.02417	3.8
108.02176	25.9
109.02955	28.9
110.64589	0.7
113.02427	4.3
119.03510	1.1
123.00899	1.1
125.02454	3.2
138.83745	0.7
161.04565	1.1
163.06143	0.7
163.11302	0.7
175.14923	1.4
181.12321	4.2
193.15915	1.4
207.07352	0.7
237.14972	0.8
255.16000	100.0
256.16339	2.9
269.17523	2.2
271.02548	1.1
285.03903	0.7
297.17096	4.4
300.02707	2.5
301.03415	1.9
303.18268	1.3
309.17065	1.7
321.16956	0.9
339.17886	0.7
351.18152	1.6
379.17596	0.8
399.20151	2.1
405.73395	0.7
447.09012	4.1
449.23755	3.2
493.69574	0.7
509.25122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	34.0
61.98818	100.0
71.34258	26.8
73.09456	30.0
101.70467	30.7
118.02056	35.1
174.60506	32.5
226.18816	35.8
300.02875	48.3
447.09259	44.5
509.25107	37.5
509.34961	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.00590	1.1
59.01377	100.0
61.98843	1.2
66.74232	0.7
69.03460	1.0
69.27652	4.1
71.01379	22.8
72.99315	1.8
73.02943	30.5
83.01392	2.9
85.02946	13.4
85.61988	0.7
86.00108	1.2
87.00877	8.0
87.04516	4.8
89.02439	26.4
98.22619	1.4
99.00944	0.9
101.02440	48.6
103.04010	19.7
109.02969	0.8
113.02459	3.3
113.29314	0.7
115.04008	9.8
119.03490	10.9
125.02443	2.3
127.04020	1.3
131.03477	8.7
136.07692	2.7
137.08009	1.3
143.03516	11.9
145.05051	5.9
157.10262	3.0
161.04631	1.0
163.06114	74.3
179.05600	1.4
196.90247	0.7
201.09251	8.7
205.07169	25.0
265.09225	7.9
284.11401	0.8
307.10513	1.2
433.19519	1.0
447.09363	1.1
449.23810	22.5
477.18884	2.8
509.21219	1.5
527.70013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03436	0.8
58.10350	0.7
59.01378	42.0
61.30396	0.8
61.98819	3.5
64.39211	0.8
69.55271	2.8
71.01379	7.7
72.99310	2.2
73.02945	4.1
83.01381	4.0
85.02957	4.5
87.00874	1.5
88.44273	0.8
88.98817	1.8
89.02453	1.3
95.01402	1.0
98.22601	0.8
99.00878	2.2
101.02440	10.0
107.01386	1.0
109.25323	0.8
111.00893	2.5
113.02457	4.5
115.00298	0.8
121.02949	1.4
123.00928	1.5
124.01684	1.2
125.02444	1.4
129.94307	0.9
134.71486	0.9
151.00322	2.8
161.04494	1.1
163.00446	1.2
169.01378	0.9
175.02489	2.0
178.99863	1.7
183.66707	0.8
224.76402	0.8
255.02986	3.5
271.02448	6.1
285.03958	2.2
287.22180	1.7
300.02734	14.6
301.03546	7.9
315.54538	1.1
316.04529	0.9
329.23276	1.1
347.24371	2.1
447.09354	19.4
449.27438	3.0
491.28668	2.9
509.16983	3.2
509.29636	100.0
510.29962	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	509.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03431	0.8
59.01380	47.9
60.01732	0.7
61.98830	27.7
71.01382	10.6
73.02932	5.3
75.00827	0.6
79.92231	0.6
81.54150	0.7
83.01387	3.0
85.02953	6.9
87.00879	2.3
89.02439	3.4
94.97192	0.6
95.01387	1.3
99.00852	1.4
101.02441	12.3
111.00901	3.0
113.02450	4.3
119.03510	1.0
125.02427	0.9
139.98582	0.6
151.00317	0.9
159.02971	1.4
161.04591	1.0
169.01390	0.8
271.02493	1.9
287.22299	2.6
300.02820	4.3
301.03500	2.2
329.23154	0.9
347.24387	1.6
378.12387	0.6
447.09323	5.5
449.27676	5.4
491.28561	3.1
509.20932	8.5
509.29596	100.0
510.29941	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68136	0.8
56.59080	0.9
59.01387	4.9
61.35652	0.7
61.98826	24.5
71.01367	2.4
71.45421	0.8
73.02948	1.1
81.15958	0.9
83.01382	1.1
89.02457	1.1
94.59254	1.0
95.71459	0.8
101.02426	2.5
107.01413	2.0
108.02180	0.9
109.02917	1.0
116.74175	0.8
121.02955	2.9
123.04490	0.8
125.02449	2.0
137.13522	0.9
143.05000	2.9
148.01700	1.1
151.00366	11.5
163.00345	2.2
169.01242	1.0
178.99847	5.1
211.04053	1.0
227.03423	1.6
243.02951	5.9
245.04526	2.0
254.02213	1.2
255.02992	16.3
266.30887	0.9
271.02469	27.8
272.02945	2.2
283.02417	1.7
285.04050	11.7
300.02734	66.2
301.03500	48.9
302.04034	2.0
447.09293	100.0
448.09671	5.1
456.03897	1.0
509.29532	6.7
510.13623	1.2
510.29935	4.8
511.26395	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96323	0.7
59.01378	2.2
61.98829	15.9
65.00332	0.9
69.16306	2.3
69.16721	1.9
71.01363	0.8
73.02912	0.8
79.30843	0.6
83.01414	0.8
101.02457	1.3
107.01385	2.4
112.85004	0.8
119.89142	0.7
121.02937	0.8
122.09819	0.7
125.02438	1.0
133.02946	4.6
140.75764	0.7
149.02426	1.7
151.00380	6.5
163.00401	0.9
169.01306	0.7
175.03993	2.1
178.99817	1.7
199.03960	1.6
201.01917	1.0
217.04994	1.1
241.04884	0.8
243.03001	2.5
255.02914	4.9
256.03674	1.8
271.02469	9.3
284.03305	4.1
285.04025	100.0
286.04361	4.5
296.95343	0.7
300.02731	21.5
301.03494	12.9
302.03995	0.9
447.09286	83.6
448.09579	5.4
509.29611	2.8
510.29907	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87872	0.3
59.01367	0.4
61.77154	0.5
61.98827	14.1
65.00330	0.7
67.13478	0.3
67.39812	0.3
69.29324	1.7
83.01383	0.7
101.21542	0.4
107.01377	2.9
108.02168	0.9
109.02952	2.1
121.02940	2.7
135.00871	1.0
148.01697	1.3
150.99141	0.7
151.00366	13.0
160.80725	0.4
163.00342	2.8
164.01106	0.8
178.99837	6.7
183.04523	0.7
211.03979	1.3
216.04434	0.5
226.02724	0.9
227.03468	1.6
229.05028	1.1
243.02948	5.2
244.03613	0.5
245.04468	2.0
254.02277	1.4
255.02974	17.2
256.03561	1.1
257.04230	0.4
271.02460	34.9
272.02908	2.6
273.03986	1.2
283.02536	1.6
299.02032	0.7
300.02734	67.4
301.03491	47.5
302.03806	1.9
333.08347	0.5
447.09296	100.0
448.09628	5.7
509.29782	1.1
510.29962	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.98828	9.1
65.00343	0.6
73.02946	1.0
79.06483	0.5
85.02938	0.9
89.02448	1.0
101.02452	1.2
107.01388	1.1
113.02465	0.6
119.03564	0.4
124.01190	0.4
124.54836	0.4
125.02378	0.6
133.02945	2.7
142.60538	0.5
149.02428	1.2
151.00371	3.2
160.32886	0.4
161.04494	0.6
169.01399	0.6
175.03998	1.3
198.46893	0.4
199.04022	1.3
201.02026	0.7
211.04030	0.9
213.05388	0.6
215.03529	0.5
217.05212	0.8
241.05081	0.6
251.14406	0.5
256.03793	2.0
284.03253	48.0
285.04034	97.5
286.04352	3.3
297.03592	0.5
303.06427	0.6
327.05038	0.9
389.77338	0.5
447.09305	100.0
448.09616	5.5
450.12564	2.6
451.32944	1.0
467.25046	1.1
539.94714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94450	0.3
59.01377	0.8
61.98828	100.0
62.35812	0.2
62.98494	0.3
98.21902	0.8
107.01402	0.5
109.02911	0.3
121.02955	0.3
135.95091	0.2
141.09164	0.3
151.00368	1.2
163.00404	0.4
166.40742	0.3
175.04034	0.4
178.99901	0.5
197.63446	0.3
218.84827	0.3
238.07196	0.3
243.02910	0.4
255.02919	1.4
265.97525	0.3
271.02487	3.0
285.04138	0.8
300.02747	6.2
301.03531	5.2
341.02097	0.2
347.24307	0.3
393.25497	0.3
447.09259	10.3
448.09775	0.7
509.29370	1.5
510.30005	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	510.9061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61202	0.4
59.01376	2.5
64.03989	0.4
64.79470	0.4
68.97350	0.4
83.61268	0.3
96.96017	2.9
122.82471	0.4
136.93991	1.5
150.93811	0.4
152.91754	38.4
154.63203	0.4
167.90421	2.7
170.92749	0.7
178.95012	0.4
194.92792	61.2
196.39114	0.4
201.02570	0.7
212.93852	4.0
217.00441	1.8
226.88554	12.1
266.91675	1.0
268.89603	19.6
308.92691	0.6
310.90656	45.4
332.82376	0.8
352.91702	100.0
353.92099	1.6
363.79584	3.4
364.29651	1.3
364.79422	0.9
368.78976	1.1
408.76758	1.3
409.77115	0.4
412.78168	1.9
413.27969	1.0
413.77716	0.7
439.74130	4.2
440.24091	0.8
440.74289	0.6
448.74631	4.8
449.74753	0.8
450.77759	1.6
457.75211	2.0
458.25327	0.7
458.75024	0.9
488.72708	0.6
510.20660	0.7
510.90582	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	511.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09001	1.2
53.17497	1.4
59.01373	4.9
62.72953	1.1
71.01375	5.9
73.02932	2.1
75.00874	2.9
79.95732	1.5
83.41844	1.2
85.02944	2.2
87.00869	1.3
89.02459	2.4
94.97184	3.7
94.98072	10.2
95.01369	1.7
101.02454	3.4
107.01385	13.3
110.08629	1.3
111.00889	2.9
113.02453	2.1
121.02947	2.5
123.00866	8.2
124.01659	39.2
125.02445	31.5
137.02426	3.2
138.03204	2.9
139.00385	3.7
139.04001	19.9
140.01143	1.5
162.34459	1.4
166.99850	4.0
168.00642	97.8
169.01424	48.8
170.01759	1.7
182.02190	3.9
183.02982	88.4
184.03381	1.5
197.04559	5.4
210.01704	1.5
211.02444	1.9
225.04034	4.3
285.06158	1.6
312.04935	3.7
313.05518	2.4
327.07202	81.0
328.07651	2.7
331.06671	6.5
345.08362	1.6
356.45615	1.3
359.07962	1.4
437.11282	1.9
451.21878	4.6
467.12045	1.9
511.10916	100.0
512.11322	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	511.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
67.01888	1.1
69.03475	1.8
70.72057	0.9
71.01372	3.0
73.02937	1.4
75.00874	2.7
79.01900	1.4
81.03442	2.2
82.00594	1.0
83.01393	1.5
85.02937	1.7
87.00866	0.9
89.02461	0.9
93.03448	1.7
95.01424	2.1
96.96010	1.7
97.02952	2.3
101.02429	2.8
107.01379	13.8
109.02943	3.2
110.10194	0.9
111.00889	4.7
117.11249	0.8
121.02961	1.7
123.00868	5.3
123.04485	1.4
124.01664	21.4
125.02447	64.3
126.02774	1.3
126.18836	0.9
127.00554	1.0
135.04547	1.1
136.98779	1.2
137.02438	19.4
138.03236	4.9
139.00375	3.7
139.04007	3.4
140.01175	2.4
141.01903	0.8
143.58495	1.0
147.00888	1.1
148.01625	1.4
151.00377	3.5
151.03975	1.7
152.01183	1.4
152.04794	1.5
153.01933	5.6
154.02660	1.4
155.03494	3.5
164.01180	1.2
165.01929	2.9
166.02701	5.0
166.99870	3.3
167.03510	5.5
168.00633	19.6
169.01421	91.8
170.01772	2.0
177.01936	1.9
178.99876	1.6
179.03539	2.5
180.00662	0.9
180.04262	1.6
180.99895	1.7
181.01422	26.7
181.05011	1.2
182.02208	19.2
183.02977	24.2
184.03380	0.8
190.02748	1.2
190.99886	2.2
192.00633	13.3
193.01439	11.9
194.02132	3.7
195.03038	6.3
196.03755	44.3
197.04402	3.1
205.01428	1.4
206.02208	4.9
207.02979	12.4
209.04510	1.5
211.02478	82.8
212.02771	2.2
221.04547	3.8
222.01656	3.8
223.02499	3.4
224.03279	28.4
225.04042	33.9
228.02774	2.6
230.51822	0.9
234.01607	3.2
235.02461	1.3
236.03253	2.1
237.04016	3.2
239.05603	23.2
241.03568	21.7
249.03992	2.5
251.05708	1.3
254.04309	10.0
255.05075	6.0
258.48035	1.1
269.06683	12.5
271.04587	100.0
272.04889	3.4
285.06177	4.1
305.16003	2.0
309.05862	1.5
312.04782	4.9
313.05603	3.9
327.07227	9.3
331.14072	0.9
341.09195	1.0
344.07303	4.3
345.08224	7.7
359.09827	33.8
451.21805	2.6
453.58972	1.0
461.23117	1.0
479.08023	2.6
511.10922	70.0
511.31265	2.6
512.11182	3.9
520.50531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	13.8
61.98829	3.6
64.18076	2.4
66.25113	2.2
67.01887	2.3
69.70798	5.9
69.71185	4.2
71.01360	7.5
72.19407	2.1
75.00870	3.6
84.81594	2.4
85.02930	3.8
89.02430	3.0
101.02450	2.2
107.01395	4.5
123.00875	7.1
124.01647	13.2
125.02460	25.2
137.02411	2.7
139.03973	2.8
148.55121	2.5
151.00339	2.5
153.01828	2.4
160.01761	2.3
165.01924	2.4
168.00642	16.0
169.01427	45.6
169.97334	2.3
170.01709	2.8
174.71977	2.3
183.02959	3.7
191.05530	4.3
211.00609	4.5
211.02489	67.9
225.04030	4.4
271.04584	100.0
275.01892	2.2
285.06119	4.4
300.99896	3.8
331.06674	31.0
361.15506	2.3
380.96292	2.5
409.03195	2.3
475.08136	4.7
475.14560	63.0
476.15204	4.7
511.11108	5.9
511.22150	3.1
511.31128	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	511.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	38.9
61.98830	90.0
69.22510	85.4
73.02920	23.6
133.06619	20.4
135.50209	15.9
139.65205	14.0
167.10725	92.2
168.30290	14.7
224.99741	14.8
225.02289	14.4
343.07864	86.8
511.19534	100.0
511.26089	18.6
529.72064	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	511.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19860	0.5
54.74094	0.5
59.01379	32.3
59.40673	0.5
61.98828	2.7
62.21832	0.4
63.56470	0.4
63.83085	0.4
69.03452	1.7
69.19199	1.1
69.19601	2.0
71.01377	11.2
72.99307	0.7
73.02944	9.2
81.03449	1.2
83.01388	1.2
85.02943	5.2
87.00869	1.8
87.04503	0.8
89.02450	9.1
94.27623	0.5
95.11094	0.5
97.02939	2.6
99.00851	0.6
101.01788	0.8
101.02449	15.4
103.04015	9.8
103.04646	0.9
108.02166	1.2
109.02975	0.9
113.02465	1.3
115.03983	1.2
119.03498	5.6
119.04979	1.1
124.01710	0.7
125.02448	13.3
127.04009	1.2
131.03481	1.5
143.03488	2.1
143.10776	100.0
144.11147	1.2
145.02945	1.6
145.05048	2.4
149.99515	0.8
163.04053	1.0
163.06129	16.9
168.00623	1.2
192.00667	0.5
200.24026	0.5
205.07130	3.6
221.07965	1.1
247.08215	2.0
247.21637	0.5
250.83052	0.4
264.46170	0.5
272.03009	0.6
289.09378	0.7
300.02722	0.6
301.03174	1.2
302.04031	0.5
307.10349	11.1
307.13635	0.9
343.07892	0.6
349.16608	2.0
434.58240	0.5
448.09818	1.8
451.21973	5.3
475.15939	1.8
511.14191	1.7
531.37482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
57.03436	2.9
59.01377	54.7
61.85949	0.9
69.03446	1.3
69.27113	3.8
71.01380	26.2
73.02937	17.2
81.79205	0.7
83.00912	1.2
83.01388	13.4
83.30227	0.6
84.37603	0.8
84.54568	0.7
85.02943	18.0
87.00883	2.0
89.02434	4.2
95.01360	2.7
97.02959	1.6
99.00855	3.7
101.02438	43.6
103.04024	1.3
111.00905	1.2
113.02443	12.7
119.03524	1.4
122.50528	0.8
125.02412	2.1
129.01915	1.0
133.72754	0.8
143.03516	1.2
159.02974	3.2
161.04541	9.1
163.06058	0.9
209.11812	2.7
257.17538	0.8
305.19693	63.2
306.19968	2.7
385.40869	0.8
451.25458	100.0
452.25897	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67500	0.5
57.03413	0.5
57.18150	0.4
58.34924	0.5
59.01368	1.1
65.03944	0.6
80.02680	1.5
81.03458	1.3
83.05033	6.1
84.02163	1.2
93.03471	0.6
95.05005	1.7
97.06591	1.0
98.95578	0.5
109.06601	1.1
123.08156	1.0
125.09728	3.0
127.11242	0.6
135.08179	1.5
149.09760	1.3
163.11278	4.6
165.12805	2.3
171.10263	29.5
181.12262	0.9
185.11847	1.8
189.36472	0.5
191.10739	0.9
203.14355	0.6
209.11823	100.0
210.12135	3.0
219.13931	0.7
221.11787	1.7
223.13437	1.4
227.12903	8.9
229.12318	0.7
231.13863	0.7
247.13382	7.9
249.15073	0.5
265.14362	2.3
301.07687	0.5
318.01062	0.5
321.16992	0.8
357.20172	0.6
373.23914	0.7
375.21371	1.1
375.25409	1.4
401.22995	1.0
419.24304	1.1
437.25388	0.8
448.09665	0.6
449.25549	2.6
475.26968	3.5
493.28088	3.1
511.28992	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	513.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08146	1.9
59.01381	19.9
60.88912	1.7
71.01375	26.6
72.99306	51.0
81.28305	2.2
89.02438	19.1
95.87698	2.4
96.96017	6.5
101.02462	6.1
102.30440	2.1
113.02436	6.1
115.00369	26.6
119.03510	5.7
123.00885	3.1
125.26979	1.9
133.01434	100.0
152.95952	46.3
161.04572	2.0
166.83430	1.7
170.89223	2.4
170.97012	93.2
179.05585	4.8
191.05606	5.0
230.98174	5.3
275.02045	6.0
300.99890	4.4
341.07004	3.4
341.10849	46.5
354.58746	2.2
375.52094	2.4
414.41370	2.4
513.08594	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	513.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71072	0.9
60.99305	13.1
69.27987	4.8
71.01379	1.8
83.01378	1.2
83.73508	0.9
85.02969	0.9
88.98807	67.9
91.32459	0.9
101.02432	1.6
102.92761	0.9
107.01395	2.6
108.02205	1.9
109.02949	7.8
123.00883	8.0
124.01652	5.6
125.02450	17.0
140.01129	1.2
151.00418	5.8
168.00647	2.4
169.01416	25.2
190.75139	1.0
313.05606	7.6
360.64819	1.1
423.09326	100.0
424.09625	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	513.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
60.99308	12.6
69.03446	0.7
69.99168	2.0
71.01371	2.7
73.02967	0.7
76.50256	0.6
84.79142	0.7
85.02931	0.8
88.98809	69.5
101.02440	1.2
107.01411	2.4
108.02184	2.4
109.02962	8.1
113.02438	1.7
123.00885	7.4
124.01672	5.5
125.02447	18.1
129.10474	0.7
139.00389	0.7
140.01167	1.1
141.01929	1.4
151.00389	6.5
168.00616	2.8
169.01424	27.5
190.73105	0.6
211.02354	1.2
253.03592	0.8
313.05673	8.4
423.09326	100.0
424.09692	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	513.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77605	1.1
59.01368	2.3
59.61884	1.0
60.99301	15.8
67.01906	1.6
69.59876	4.7
71.01378	3.2
79.51740	1.0
85.02963	1.5
88.98807	100.0
95.01402	2.8
98.22704	2.2
101.02455	2.5
103.01559	1.2
108.02171	23.2
109.02929	6.7
111.20589	1.0
113.02440	2.9
123.00888	29.1
123.04562	1.2
125.02399	1.4
133.02963	1.3
139.00374	2.7
141.01921	6.5
143.80499	1.0
144.33134	1.1
146.41887	1.1
151.00366	28.8
151.04060	1.1
161.04555	2.2
169.01422	3.3
261.04059	4.1
266.66022	1.2
337.74854	1.1
346.52014	1.4
347.68140	1.2
363.60825	1.1
423.09299	91.7
424.09824	6.3
513.17255	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	513.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17245	0.5
59.01371	1.4
60.66476	0.4
61.98833	3.7
67.56423	0.4
73.02937	0.4
77.98158	0.4
78.91862	1.0
80.91679	24.1
88.98752	0.4
93.03448	1.7
98.94627	0.4
101.02401	0.5
107.01371	1.5
108.02177	1.0
109.02941	2.2
123.00899	1.1
124.01643	0.9
125.02422	4.4
132.02219	0.7
135.00871	1.0
137.02419	0.8
143.05042	0.6
145.02905	1.0
151.00362	2.0
157.06572	0.7
159.04462	1.0
163.00357	2.4
165.01927	0.7
169.01445	1.7
169.06599	1.1
171.04498	0.5
185.06075	1.6
187.04012	2.5
189.05597	1.3
195.04602	0.6
196.05533	0.5
197.06009	1.1
199.04056	0.7
199.09641	0.8
201.05528	1.0
207.74132	0.5
211.03951	1.8
213.05536	1.4
227.03502	16.6
228.03896	0.5
229.05035	11.8
239.03592	2.2
240.04243	1.1
241.05122	1.3
255.02972	33.6
256.03632	2.8
257.04639	6.1
267.02795	0.5
284.03259	45.0
285.04031	100.0
286.04297	3.5
297.02502	1.3
307.02170	5.3
325.02121	1.9
326.02164	0.5
367.03058	6.8
415.58081	0.5
431.09811	78.1
432.10184	3.1
513.09180	0.8
513.20099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32055	0.3
55.98899	0.3
59.01360	0.9
63.52082	0.4
66.29733	0.3
66.61323	0.4
69.48669	1.4
71.01368	0.4
75.00873	0.3
78.95904	9.3
79.95734	3.2
85.84983	0.4
88.98796	0.4
96.96011	100.0
96.96929	16.9
98.21886	0.8
113.02464	0.4
122.77853	0.4
125.02445	0.6
130.91821	0.4
140.05875	0.4
142.10225	0.4
147.34839	0.4
161.24265	0.4
168.00706	0.4
169.01416	0.8
183.02957	0.5
192.26958	0.4
230.18721	0.4
296.74640	0.4
309.07999	0.3
337.07715	0.6
453.23715	0.7
455.97461	0.4
459.04614	0.5
507.87515	0.4
513.12598	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.3
59.86095	0.5
61.98830	6.9
69.03463	4.3
69.35001	2.4
71.01385	1.0
73.02945	2.0
79.01874	1.1
81.03465	1.6
82.95414	25.7
83.01396	3.0
83.45825	0.5
85.02934	1.0
89.02478	0.8
94.89671	0.5
95.01403	0.9
97.02963	4.4
99.04543	0.5
101.02472	1.7
107.01401	2.2
109.02922	0.9
123.00891	6.7
124.01659	20.1
125.02448	100.0
126.02797	1.3
130.23248	0.7
135.04524	1.5
136.04916	1.2
137.02457	1.3
139.11290	2.4
149.02434	1.3
151.00410	2.8
151.04034	0.8
152.00729	1.2
155.60313	0.6
167.03477	1.0
169.01395	1.1
181.12361	1.5
183.10263	3.1
191.05577	0.5
196.82541	0.6
197.06042	0.7
221.08464	0.6
225.11327	2.8
225.98030	0.5
241.05153	1.3
243.12315	3.7
272.81754	0.5
275.30923	0.5
285.13388	1.7
288.05920	1.7
304.25323	0.5
340.32343	0.6
345.15451	0.7
374.53207	0.6
387.16614	1.7
405.17657	0.8
416.19089	0.6
450.11240	3.0
453.17886	5.1
495.18582	3.7
513.19757	66.8
514.19971	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	513.2106
Annotation	Gomisin E
Peak:m/z	Relative Intensity
59.01374	38.6
59.20378	5.3
61.98827	100.0
69.19961	17.2
69.20373	13.7
71.01382	12.8
73.02947	9.7
85.02953	5.2
89.02415	7.9
98.21870	12.1
101.02466	12.2
127.03987	7.0
130.54807	6.1
163.06094	10.5
169.12350	79.7
230.15398	5.9
259.19412	5.9
287.81955	5.3
307.10565	8.8
343.07977	60.7
513.21027	93.2
513.27948	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	513.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03448	2.8
59.01374	36.2
61.98832	7.1
69.27636	8.8
71.01379	46.5
73.02943	20.9
83.01375	7.6
85.02946	23.0
85.41618	1.6
87.00891	3.0
87.04550	1.5
89.02454	8.6
89.62170	1.6
95.01397	2.5
98.21882	3.2
99.00891	7.1
101.02436	39.7
101.54523	1.5
112.95977	1.4
113.02458	20.9
119.03506	3.6
119.05005	1.8
125.02428	6.0
133.60335	1.8
136.90460	1.4
143.03534	2.7
159.02972	4.0
161.04553	21.6
163.03998	3.2
169.01477	3.2
179.05536	2.4
211.19182	1.4
270.73120	1.7
291.18188	21.4
351.21771	2.2
453.23410	100.0
513.20343	2.0
513.27533	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	513.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21685	0.7
55.01859	2.6
57.03448	1.2
58.78440	0.8
59.01379	45.9
59.91101	0.8
67.01852	0.7
67.76290	0.7
69.03458	1.6
69.62268	2.4
71.01376	23.5
72.99287	1.1
73.02945	17.3
75.51096	0.7
83.01382	9.3
85.02955	16.1
87.00884	1.3
89.02451	3.3
93.54259	0.7
95.01394	2.2
96.94254	0.7
97.02929	2.0
99.00884	4.8
101.02442	36.3
103.04015	1.0
111.00867	2.1
113.02457	11.6
123.00887	1.4
125.02431	2.6
129.01880	0.9
139.00468	0.8
141.01888	0.9
143.03447	1.2
145.05136	1.0
158.91666	0.8
159.02974	3.3
161.04564	10.1
163.06133	1.3
169.01353	1.0
192.00607	0.7
193.01192	0.7
263.41556	0.7
307.17606	54.1
308.18076	1.3
389.75714	0.8
436.86490	1.0
453.23401	100.0
454.23672	4.9
477.06720	1.2
506.98654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99911	5.6
59.01363	16.8
61.98831	81.3
63.04456	6.0
68.48893	5.7
69.42683	29.1
81.22293	6.4
82.95392	24.2
90.23995	5.8
92.34284	5.8
98.22608	11.0
109.02950	23.7
118.80882	6.4
123.04494	12.4
125.02408	9.1
128.29364	5.5
151.04002	6.7
161.02356	7.9
169.01375	8.0
177.01923	22.9
189.01921	57.9
190.02681	16.4
191.03479	11.7
216.00618	10.8
217.01454	51.5
219.02957	14.5
231.02989	14.3
274.86804	5.7
341.06619	95.7
442.79095	6.3
451.10294	100.0
478.33755	11.7
479.08057	8.2
514.20782	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	514.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98829	100.0
65.78076	0.4
71.01389	1.4
71.44956	0.4
73.02945	0.5
73.19240	0.4
78.91889	1.5
80.91700	1.2
82.95404	0.5
89.02464	0.9
101.02417	0.7
108.02219	0.4
109.02976	0.7
109.05633	0.4
117.98715	0.4
122.18198	0.4
123.00912	0.6
125.02464	1.6
126.28757	0.4
133.03032	0.4
138.50998	0.4
161.02483	1.5
169.01361	1.8
189.02075	0.7
192.00623	1.9
193.01469	1.7
203.33333	0.4
211.02542	0.6
270.60968	0.4
297.40729	0.5
304.38983	0.4
400.52783	0.4
433.11481	0.8
453.23734	0.7
454.23819	0.8
479.08319	3.7
514.20850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23416	0.2
59.01384	1.3
60.01696	0.3
61.79279	0.2
61.98828	100.0
69.39574	1.1
70.72736	0.3
71.01384	0.9
77.33228	0.2
82.95375	0.2
89.02433	0.3
101.02483	0.5
108.02190	0.6
109.02953	3.6
120.99666	1.1
125.02428	0.4
126.02837	0.3
131.78639	0.3
137.02486	0.3
150.06874	0.4
153.09222	0.9
168.00659	0.3
169.01434	0.4
180.46739	0.3
182.14928	0.2
192.00615	0.2
245.89392	0.2
281.12262	0.2
300.99716	0.3
309.16888	0.3
352.21942	0.2
402.20670	0.2
426.12939	0.6
451.16095	3.9
478.33868	0.3
514.16302	0.9
514.27338	1.2
540.34979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91772	0.2
59.01374	0.5
61.98828	100.0
62.46982	0.2
69.27151	0.4
69.27556	0.6
78.66400	0.2
82.15939	0.2
93.45256	0.2
98.80842	0.2
102.53071	0.2
112.86803	0.2
143.18613	0.2
148.55096	0.2
308.20651	0.2
339.44940	0.2
365.57471	0.2
392.14075	0.2
454.26111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47214	0.1
59.01385	0.2
61.98829	100.0
65.89122	0.1
69.13170	0.4
69.13570	0.2
98.21941	0.2
115.62654	0.1
123.82458	0.1
125.61481	0.1
219.74022	0.1
233.38211	0.1
452.33450	0.1
454.24121	0.1
454.34024	0.4
514.32550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45337	1.2
55.55023	1.2
66.24414	1.3
69.10468	7.1
101.12677	1.3
116.19661	1.5
123.00877	1.3
124.01694	2.6
125.02428	4.9
137.02473	1.7
145.48639	1.3
149.02478	1.9
165.01949	1.9
166.02666	1.8
168.00658	3.2
169.01372	6.2
190.02718	2.3
192.00647	26.7
193.01399	37.7
194.02223	4.0
195.02950	1.4
207.02908	9.3
211.02505	4.6
234.01668	3.0
235.02417	5.6
249.04144	2.3
271.04550	2.2
312.05032	2.8
313.05664	1.6
313.81265	1.5
479.08313	100.0
480.08618	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	515.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66100	1.5
58.71905	1.7
59.01376	49.6
69.27209	1.5
71.01379	40.2
72.99285	8.0
73.02944	13.2
75.00888	1.5
83.01381	2.9
83.05021	3.0
85.02938	9.6
87.00877	5.2
89.02441	41.3
93.03446	30.2
95.01389	3.0
99.00861	7.0
99.04543	2.7
101.02431	15.7
111.04523	9.6
112.98817	4.3
113.02460	13.0
115.00381	6.5
118.44803	1.5
119.03500	16.0
119.04978	1.7
125.02444	2.9
129.01968	2.9
133.01433	15.5
135.04552	2.5
137.02478	8.2
142.71204	1.4
142.99867	8.9
143.03479	6.9
145.01465	1.7
145.02917	1.7
152.95921	2.7
154.95728	3.3
155.03500	6.1
161.04547	5.6
169.01375	3.6
170.97060	2.4
172.96768	7.5
173.00851	5.2
173.04536	47.3
173.05995	3.1
175.04045	2.3
179.03430	1.9
179.03918	1.9
179.05603	21.8
185.99788	1.4
189.01988	1.7
190.02840	1.7
191.03561	5.9
191.05609	14.9
217.01450	3.9
219.03014	2.1
229.01343	2.5
245.00925	4.4
247.02454	31.7
273.00400	16.7
291.01523	6.0
305.12680	1.5
332.30682	1.6
341.10876	100.0
342.11069	1.8
380.90573	2.2
381.02240	4.0
453.06497	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	515.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68257	1.1
57.03450	1.1
59.01373	2.4
60.99296	3.3
65.11208	1.0
67.01903	5.5
71.01386	4.5
71.67062	1.1
81.65089	1.0
83.04973	1.4
85.02969	5.8
87.00883	3.1
88.98805	14.8
89.02467	1.1
89.99160	2.4
90.99230	3.4
93.03455	31.0
107.05013	2.1
109.02956	2.7
111.00880	1.8
111.04520	6.8
113.02441	1.2
123.00877	2.9
125.02434	5.1
133.02937	2.0
134.03795	2.6
135.04527	96.9
136.04877	1.4
137.02483	5.5
139.00330	1.3
152.67668	1.3
155.03484	4.9
161.02443	8.7
169.01440	7.4
170.01797	1.4
173.04556	60.0
179.03500	100.0
180.03812	2.5
183.17915	1.3
191.05620	80.4
230.40857	1.4
300.99805	2.1
313.05640	1.6
323.07770	1.3
335.07596	1.3
341.08752	52.6
342.09119	1.8
353.08679	12.9
395.09637	2.9
423.09366	9.5
424.09778	2.7
425.09857	24.1
515.14032	69.9
516.14270	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	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24578	0.3
59.01381	1.9
65.94862	0.4
67.01880	1.2
70.00160	0.3
71.01383	1.1
71.44845	0.3
73.02947	0.4
74.93216	0.3
76.00879	0.3
78.50484	0.3
78.80368	0.3
80.32089	0.3
81.03452	0.5
85.02951	9.8
87.00871	2.5
88.98814	0.4
93.03460	6.6
95.28263	0.3
99.04507	0.4
106.08526	0.4
109.02947	0.7
111.04515	1.0
117.03477	0.9
123.00888	0.9
125.02496	0.7
127.04037	2.7
132.02138	1.0
133.02963	5.4
135.04536	7.3
145.02946	0.3
155.03510	0.4
160.01675	2.6
161.02440	46.7
162.02837	0.7
169.01381	0.6
171.02995	0.5
173.04555	2.2
175.03941	0.4
179.03493	6.2
191.05605	100.0
192.05908	2.0
300.99997	0.6
323.07700	42.7
324.08060	1.5
341.08655	3.3
353.04626	0.6
353.08627	4.0
361.02911	0.4
383.79318	0.3
403.20294	0.3
425.09897	1.0
515.14038	36.3
516.14398	1.7
525.10974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01369	1.6
60.25148	0.5
67.01862	0.7
69.23783	2.6
71.01357	0.8
76.92950	0.4
85.02950	10.4
87.00862	1.5
93.03463	3.6
109.02937	1.1
111.04531	1.2
117.03465	1.1
125.02430	0.6
127.04034	2.5
132.02194	1.4
133.02965	7.6
135.04514	3.4
155.03462	0.5
156.99901	0.7
160.01740	2.4
160.85135	0.5
161.02443	52.9
162.02797	0.7
171.02986	0.6
173.04492	1.0
179.03500	3.7
191.05608	100.0
192.05927	1.7
249.14363	0.5
271.24316	0.5
301.55930	0.5
323.07706	44.8
324.07932	2.1
341.08722	1.9
353.08743	4.3
359.86215	0.5
472.61166	0.6
515.13989	52.0
516.14679	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01382	3.6
61.98816	0.9
63.53965	0.4
67.01894	0.6
69.96996	0.5
71.01387	3.1
71.80725	0.4
73.02948	0.6
74.87219	0.5
80.06119	0.4
85.02949	10.1
87.00884	2.6
88.98829	0.5
89.02470	1.4
93.03452	4.6
95.01374	1.2
96.96024	0.6
101.02422	1.1
107.01395	0.6
109.02947	0.8
111.00892	0.4
111.04511	1.4
111.85191	0.6
113.02449	0.7
117.03453	0.9
123.00883	3.4
123.04457	0.5
124.01664	1.5
125.02449	6.0
127.04009	2.5
132.02196	1.4
133.02956	8.0
135.04521	3.8
139.03987	0.6
151.00354	1.1
157.90532	0.4
160.01646	3.4
161.02444	51.9
162.02783	0.8
166.99826	0.8
168.00598	0.6
169.01448	7.9
171.02971	0.7
173.04518	2.1
177.01920	1.2
177.92712	0.4
179.03493	3.6
189.01881	0.4
191.05609	100.0
192.05963	1.4
203.10802	1.0
219.02588	0.6
221.11797	2.5
247.02553	0.8
273.00406	0.6
275.01877	1.1
290.43976	0.5
300.99829	3.2
302.00266	0.6
313.05545	0.6
323.07706	37.5
324.07996	1.5
341.08746	1.5
353.08627	3.9
366.46347	0.5
390.02005	0.5
394.99905	0.5
402.60913	0.6
425.09863	0.8
443.52380	0.5
453.10388	6.9
455.20364	0.5
472.18832	0.6
515.13995	39.7
516.14014	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	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56597	0.2
56.97889	0.2
57.34206	0.2
58.74088	0.2
59.01372	1.8
61.98816	0.9
65.03957	0.7
69.20449	1.1
71.01382	1.4
73.02931	0.9
85.02953	0.3
89.02442	1.2
93.03458	53.9
94.03815	0.7
96.96012	0.2
101.02446	0.6
113.02442	0.3
119.03534	0.2
121.02954	0.5
131.03511	0.4
137.02449	100.0
138.02797	1.1
141.09233	0.4
149.04556	0.5
193.01466	0.3
200.37895	0.2
263.75992	0.2
300.99857	0.2
303.87134	0.2
335.22409	0.2
479.08527	0.4
515.01074	0.2
515.17657	4.9
515.28522	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	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.66921	0.6
58.20435	0.5
59.01376	13.5
61.67915	0.5
61.98826	13.7
62.76366	0.6
65.68472	0.5
67.05505	0.7
70.58508	0.5
71.01379	8.1
73.02932	1.4
83.01390	0.9
85.02951	18.0
88.98803	0.6
89.02444	4.6
89.35685	0.6
91.05535	0.7
93.03456	0.6
95.01376	0.8
99.00894	0.9
101.02434	2.4
106.14059	0.6
106.18939	0.7
107.05019	0.9
109.02962	0.6
111.04518	0.9
113.02437	4.2
116.72665	0.6
117.03426	0.7
119.03513	0.9
121.02934	3.3
123.00810	1.1
125.02454	2.3
129.05576	10.4
129.06525	0.6
132.02150	0.6
133.02957	1.0
134.03722	2.4
135.04504	4.8
147.04520	2.3
149.02444	26.4
149.06038	0.5
150.03166	0.8
151.04015	1.0
157.21587	0.6
161.02423	3.7
161.04500	0.9
162.03223	1.3
163.03992	10.8
164.04791	28.6
165.01950	0.9
165.05565	3.5
166.02730	1.3
168.00626	0.8
169.01413	1.9
173.02414	2.5
175.00365	4.4
176.01181	0.6
177.01891	1.2
177.05513	3.8
178.06334	2.4
179.03511	4.5
179.05632	1.4
179.07086	7.7
181.05045	1.4
188.04788	2.5
189.01935	0.7
190.02710	19.6
191.03494	12.2
191.05334	1.2
192.00641	4.1
192.04187	1.9
193.01373	6.8
193.05080	1.4
193.08704	1.0
194.02213	0.6
203.07112	4.4
204.04274	1.3
205.05043	24.9
206.05836	24.1
207.02997	10.7
207.06476	1.9
208.03752	10.3
209.04477	1.6
221.04694	1.4
221.08176	27.2
221.11630	1.2
222.05330	3.4
222.08618	0.7
223.06105	53.9
224.06245	1.1
232.03825	0.7
235.02458	3.0
237.07658	13.1
238.08090	0.7
244.17052	0.6
247.06143	2.6
250.04788	10.4
251.05560	2.1
261.69980	0.5
265.07156	100.0
266.07520	2.7
276.02527	0.6
277.07379	1.0
281.06723	2.9
295.08231	36.8
296.08591	0.7
300.99753	0.6
309.11926	2.6
311.07715	2.2
325.09268	47.3
326.09692	1.1
338.43915	0.6
341.08746	1.2
367.10251	1.5
385.11359	19.6
386.11795	1.1
408.41086	0.6
453.13919	2.0
479.08267	8.6
479.19189	1.2
480.08746	1.2
515.17249	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	515.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.2
59.01376	28.7
61.98831	8.7
67.87439	0.9
69.03456	2.1
69.14727	3.7
69.15141	2.4
71.01379	3.2
73.02943	2.9
76.89488	1.1
81.03441	1.8
82.95384	1.3
83.01385	7.5
83.05023	2.4
85.02956	1.4
89.02430	3.4
93.03458	2.3
95.05044	1.9
97.02951	3.2
101.02470	1.9
101.95839	1.0
109.02943	11.1
111.00886	3.8
113.02425	1.2
121.02923	1.7
123.04494	3.3
125.02441	86.1
127.04030	3.1
135.04492	1.0
137.02440	56.0
139.04007	1.7
139.07625	0.9
139.11292	17.6
145.02936	18.7
145.55476	1.0
146.03754	2.8
149.02428	5.8
150.03262	1.2
151.04001	3.4
157.06590	1.1
159.04518	10.7
160.05058	1.4
161.02434	3.1
161.06044	6.5
162.03217	1.3
164.00967	1.1
165.01927	1.6
166.12270	1.2
179.03468	2.8
181.12321	10.9
183.04478	2.7
183.10263	22.7
184.05244	1.2
184.71469	1.3
185.06088	7.2
187.04027	4.1
188.04916	1.3
192.00670	1.7
193.01437	1.7
199.07657	1.3
199.13416	3.2
201.05618	4.6
203.07147	9.5
203.10822	1.3
205.05081	1.8
211.03975	2.5
212.04749	1.3
219.13850	1.2
225.05603	1.4
225.11276	5.4
227.07120	5.4
229.05029	3.5
230.02176	2.0
243.12349	100.0
244.12625	2.6
245.08226	8.1
249.33417	1.0
253.05032	15.8
265.47806	0.9
271.06110	57.5
272.06451	1.5
289.07162	32.5
301.00110	1.9
305.13852	2.4
353.23218	1.2
365.16086	13.3
367.19235	1.2
369.17038	1.7
377.15982	12.7
398.03067	1.0
411.18158	4.0
434.60788	1.0
453.19180	2.5
471.20392	8.8
479.08109	2.5
497.18405	1.4
515.19263	53.3
515.28503	8.5
516.19543	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	516.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89873	1.3
57.82612	1.7
59.01380	15.9
61.98829	100.0
71.01367	8.7
71.45275	1.6
82.95410	4.1
85.02941	4.5
89.02456	8.7
101.02454	7.3
102.15967	1.6
109.02956	2.2
113.02451	3.8
114.17518	1.3
115.45173	1.5
125.02380	2.5
131.03497	3.5
133.02937	21.6
134.03775	2.9
135.04526	44.1
137.02525	2.0
140.87881	1.5
149.02420	3.9
149.04628	7.5
149.06081	6.8
161.02444	78.0
162.02707	2.0
164.04730	3.8
165.05151	2.2
170.12733	1.4
177.05545	20.9
179.03494	72.2
190.02542	1.6
191.03624	1.8
191.05518	1.9
203.03549	2.1
205.04984	2.3
206.05632	2.8
207.06161	3.3
221.04561	31.1
221.08035	2.1
222.04948	2.6
222.08449	2.1
223.06081	7.0
224.06404	4.9
251.05589	29.8
265.07132	9.9
266.07501	9.1
281.06659	56.1
295.08206	2.5
296.08582	3.9
301.03308	2.0
323.07623	2.4
325.09332	3.3
326.09637	4.6
341.08734	53.1
347.74023	1.8
386.11530	4.3
453.13968	60.0
454.14194	3.2
497.40897	1.8
510.80249	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	516.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98829	100.0
69.27772	2.1
71.01383	0.4
87.04516	1.1
89.02448	0.4
101.02437	0.4
108.02193	1.0
109.02943	3.4
125.02452	0.6
137.09755	1.1
155.10767	5.0
171.07428	0.3
176.11882	0.4
179.10783	0.8
181.08736	0.7
186.13911	0.4
199.09723	2.3
241.10802	0.5
260.55615	0.3
283.11954	1.0
453.17648	22.5
454.18210	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	517.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	76.1
60.14790	0.3
61.98793	0.4
69.76342	1.1
71.39783	0.4
72.70691	0.4
73.47134	0.3
76.26370	0.4
88.13506	0.4
98.21758	0.4
111.15242	0.3
114.53928	0.4
132.98204	2.5
157.03581	0.9
159.01514	0.5
174.99243	33.7
175.99554	0.4
189.20436	0.3
189.34741	0.4
201.02547	7.6
202.02739	0.6
217.00287	100.0
218.00650	1.1
225.06779	0.3
302.17435	0.4
359.01483	13.2
360.01764	0.7
374.99207	56.8
375.99646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72149	3.0
57.03441	4.4
59.01376	39.0
61.98834	16.1
71.01382	49.6
71.27790	2.8
73.02935	20.9
81.87034	3.0
83.01379	8.1
85.02946	25.5
89.02427	8.8
93.03418	3.0
93.07055	3.3
95.01378	8.5
97.02932	3.4
98.01007	3.5
98.22683	6.7
99.00852	6.2
101.02428	32.6
108.02172	54.1
109.02209	5.8
109.02945	99.5
111.04533	6.6
113.02442	25.3
123.00875	3.2
125.02439	5.7
125.06061	11.3
139.07632	8.9
151.07629	13.4
152.08418	5.4
159.02972	6.2
161.04539	49.4
161.05844	4.8
161.09656	3.7
163.07607	7.3
177.01961	15.1
178.02269	7.7
183.10274	4.8
185.09695	4.2
186.10405	4.3
189.09238	6.3
201.09207	3.0
201.12833	52.0
203.10773	13.5
204.11613	19.2
219.11850	4.8
219.13904	74.1
220.14268	3.0
225.11342	3.3
227.10806	4.5
230.09404	8.9
236.53575	3.3
245.11829	54.5
263.12860	100.0
271.08252	13.4
350.18420	3.3
355.24826	3.7
407.17169	7.1
479.08783	4.3
517.09326	3.5
517.21307	20.2
517.29736	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	517.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90532	0.5
51.12655	0.5
55.01874	2.2
57.03448	2.6
58.00586	2.0
59.01376	95.7
59.73363	0.5
67.05775	0.4
69.03448	4.2
69.98883	0.5
71.01379	89.1
72.94887	0.5
72.99318	1.4
73.02944	19.1
78.91885	3.1
81.03456	2.1
83.01385	5.9
85.02948	21.7
87.00865	4.9
89.02441	100.0
90.02777	0.8
93.03453	0.5
95.01380	2.4
95.05045	0.8
96.87129	0.5
96.96003	1.0
97.02949	6.1
99.00882	4.2
99.68323	0.5
101.02440	41.7
102.02797	0.6
108.05832	1.1
109.02974	0.5
109.06582	1.0
111.00890	1.4
111.04552	0.6
113.02443	19.3
113.06071	1.2
115.03992	0.8
115.76756	0.5
119.03495	7.2
122.03757	0.5
123.08155	2.4
125.02442	14.1
125.06081	2.2
129.01906	0.5
131.03502	31.5
133.01379	0.6
134.03743	1.5
136.05293	1.8
137.06064	0.6
138.06860	11.5
139.03978	0.7
139.07692	3.4
143.03523	3.6
147.08206	0.8
149.04550	52.8
151.07643	8.3
152.04805	1.0
152.08427	28.7
153.09207	45.2
154.09521	0.8
159.02965	1.0
160.01657	0.6
161.04541	9.2
163.11250	5.6
165.09186	1.1
167.07152	0.5
169.01437	0.8
173.04527	0.5
175.04022	0.5
179.05632	1.8
187.11320	1.0
189.01791	0.7
189.09274	0.6
190.02757	1.3
190.10011	2.0
191.03703	0.9
191.05597	18.4
193.05038	1.1
205.12315	58.3
206.12714	1.5
216.08546	0.5
219.03104	0.6
223.13391	10.0
233.06697	5.0
233.10349	2.2
281.71426	0.5
293.08759	9.9
342.43951	0.5
365.14532	0.9
385.18628	20.8
386.18994	0.9
517.09967	4.7
517.22858	68.6
518.10193	0.8
518.23169	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19197	0.6
57.03454	2.2
58.00596	0.9
59.01376	100.0
59.79053	0.7
59.87681	0.6
61.98828	5.6
69.03458	1.9
69.20500	4.2
71.01372	5.8
71.05077	0.8
73.02951	2.5
75.00879	1.4
81.07142	0.9
85.02961	2.7
87.04517	1.4
89.02459	3.2
90.00540	0.7
93.07098	1.3
99.08215	1.0
101.02446	4.6
109.06594	2.0
111.08154	1.6
113.02479	2.4
113.06106	0.7
119.03512	1.3
119.05051	0.8
123.08182	2.0
125.06036	0.9
127.07652	8.7
137.06071	7.7
138.10805	0.6
139.11281	7.1
151.11232	1.4
155.07124	6.2
161.04564	1.5
165.09219	2.4
179.10828	1.0
181.12350	3.2
183.10249	39.3
197.11827	27.5
199.13411	2.2
205.41324	0.7
207.10228	1.7
225.11314	43.5
243.12357	18.4
255.12361	4.1
285.13428	12.4
315.14691	1.5
336.45123	0.7
345.15469	10.3
345.19070	1.0
353.19620	0.9
405.17648	5.8
454.17633	0.9
457.77499	0.7
502.30811	0.8
517.22595	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	518.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.3
60.76748	1.5
61.98819	7.0
69.03444	2.6
69.16151	10.8
71.01377	21.6
73.02943	15.1
83.01379	2.1
85.02946	8.9
89.02451	19.7
97.02971	2.0
98.21834	3.3
101.02444	27.7
103.04008	19.6
113.02467	2.5
114.71339	1.8
115.03991	2.5
119.03526	11.5
120.73507	1.5
125.02456	22.4
127.04004	1.9
143.03499	4.2
145.05074	5.9
163.06126	34.3
167.10774	100.0
181.86572	1.7
204.04353	2.0
205.07138	7.1
213.59000	1.7
218.94131	1.9
218.98328	1.7
247.08223	5.0
307.10361	25.3
316.81754	1.7
413.30173	1.9
475.21567	6.3
518.30237	2.3
519.31683	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	519.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40294	1.3
59.01350	1.3
61.31431	1.1
69.03455	2.2
69.71703	1.6
69.72042	3.4
71.01384	3.0
72.55190	1.1
81.03474	1.7
83.61694	1.2
85.02956	4.1
95.01366	13.5
101.02420	3.0
107.01395	5.2
113.02455	4.6
123.00886	33.7
124.01672	7.0
125.02437	63.9
125.35346	1.2
126.02791	1.7
141.01891	1.6
145.02933	2.0
147.04445	1.7
151.00381	4.6
152.01141	1.2
159.04547	1.7
161.02399	2.7
163.04024	3.2
168.00558	1.7
169.01422	93.5
173.02431	2.7
175.03938	1.8
177.01874	1.8
189.01915	2.1
190.02684	3.0
191.03740	2.2
191.05595	15.7
193.01378	2.0
201.01843	4.3
202.02498	1.8
203.03459	4.7
211.02458	3.6
213.01947	1.3
216.00618	1.5
219.02875	2.3
227.03485	1.7
229.01480	7.5
230.02124	2.2
231.02946	4.4
243.99838	1.5
245.00888	4.9
247.02397	2.6
247.12914	1.5
248.03099	2.0
249.03943	6.8
255.02927	1.9
257.00830	7.4
258.01712	2.3
271.04846	1.9
273.00418	4.6
274.01166	6.9
275.01984	31.0
276.02283	2.3
287.01941	1.8
288.02643	4.4
291.01263	1.4
293.03928	1.5
299.01767	3.2
299.99246	2.0
300.99976	13.8
301.03293	2.3
309.04086	2.0
309.79941	1.6
313.05664	8.5
314.00598	6.1
315.01208	2.0
327.01572	9.0
327.05023	2.1
328.02371	1.5
329.03119	1.9
330.03714	3.6
331.07019	12.7
338.04132	1.5
341.07031	1.5
343.00562	1.7
344.03552	7.5
352.53531	2.1
353.03629	5.9
361.03659	2.1
365.02112	2.2
365.52316	2.0
366.02972	5.8
366.53226	2.9
374.02878	1.8
374.53036	2.0
375.03555	5.6
381.03262	1.8
382.02814	1.7
390.04117	3.6
395.03452	1.7
404.04636	2.3
413.04953	2.7
435.05722	6.7
483.07770	100.0
484.08044	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62310	1.0
59.01375	2.0
61.98827	2.5
68.43346	1.1
69.36106	1.7
69.36454	4.8
71.01373	1.3
85.02950	8.8
87.00870	2.0
93.03460	3.1
94.98086	2.1
95.01389	1.6
96.95999	3.3
98.22598	2.2
105.26758	1.0
106.22607	1.0
109.02935	2.0
121.02952	82.4
123.00858	1.5
125.02431	1.8
127.03989	1.5
165.01926	96.1
166.02219	1.5
169.01396	3.6
171.03014	1.5
191.05598	100.0
192.05914	1.6
215.28976	1.0
271.04550	1.3
298.20517	1.0
300.99789	0.9
303.04913	1.5
351.14215	1.1
367.59341	1.3
383.10132	1.2
465.10410	1.3
483.07639	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	519.1869
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01371	1.7
59.68598	0.3
67.01863	0.4
69.03452	0.4
69.74106	0.9
71.01377	3.2
73.02922	1.1
83.01383	0.6
84.95110	0.5
85.02946	1.9
89.02455	0.5
93.03459	1.4
95.01384	0.4
98.21795	0.4
99.00900	0.3
101.02441	2.3
107.01315	0.3
108.02165	1.0
109.02985	0.5
113.02467	1.6
113.83720	0.3
117.77620	0.4
119.12866	0.3
121.02946	4.2
122.03725	3.6
123.04482	0.3
125.02472	1.6
131.03452	0.3
134.03691	1.0
135.04521	0.6
136.01656	70.8
137.02455	1.9
140.86043	0.3
149.06026	0.3
150.03104	0.4
151.03999	100.0
152.04349	1.4
156.52048	0.3
159.04504	1.0
160.05228	1.1
161.04550	2.0
162.03185	1.4
163.04007	1.1
169.01416	2.8
173.04619	0.5
175.04079	0.6
175.07561	1.6
176.04811	0.5
177.05618	1.0
179.03503	0.7
189.05632	0.5
191.05621	1.8
203.01385	0.3
203.07097	0.4
315.88791	0.4
342.11044	5.2
343.07013	1.6
343.10739	0.5
357.13412	95.8
358.13739	3.5
447.14426	1.3
450.26016	0.3
519.12213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3171
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.61823	0.2
55.01870	0.6
57.03429	1.3
59.01377	16.1
61.98807	0.6
68.09846	0.3
71.01378	8.0
72.99265	0.4
73.02943	2.0
83.01385	1.1
85.02950	3.3
87.00873	0.9
89.02447	3.0
95.01378	1.0
99.00857	0.4
101.02448	4.8
113.02460	2.2
119.03484	1.2
139.11270	0.9
162.83899	0.4
293.21561	0.3
311.22372	1.9
339.25375	4.2
357.26456	18.0
358.26785	1.0
441.28857	0.4
483.92386	0.5
501.30893	1.6
519.31708	100.0
520.31964	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28392	0.3
59.01388	2.0
60.01711	0.3
61.98830	100.0
70.67534	0.5
71.01396	0.8
82.95402	0.3
85.02969	0.4
89.02437	0.4
89.09718	0.2
96.96015	0.5
101.02479	0.5
109.02950	0.8
114.99528	0.2
118.68471	0.3
124.01627	0.3
125.02477	0.8
153.09181	0.4
169.01463	1.0
177.01962	0.4
184.76894	0.3
226.11501	0.3
227.11897	0.3
380.67859	0.3
423.09348	0.6
433.57907	0.3
520.32715	0.5
521.33112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17667	1.3
59.01377	42.2
61.98824	6.8
67.69318	1.3
71.01374	16.7
71.45148	1.8
73.02947	15.7
81.03457	1.8
85.02953	7.6
87.00854	2.2
87.04514	1.7
89.02448	13.8
95.34862	1.1
97.02961	2.2
101.02441	23.7
103.03994	13.3
113.02495	1.3
115.03994	2.2
118.22353	1.2
119.03516	8.1
125.02435	15.3
127.04044	1.6
130.87010	1.3
131.03473	1.6
143.03484	2.8
145.05045	4.1
163.06125	28.8
169.12334	100.0
170.12646	1.5
205.07109	7.2
206.30742	1.2
247.08186	3.4
267.65549	1.4
307.10349	15.3
357.26346	1.5
358.26859	1.3
359.28036	1.6
477.23276	6.6
519.31433	3.1
520.31964	14.0
521.20093	2.9
521.33282	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.3
71.01388	0.3
71.26951	0.2
79.95741	2.0
82.53537	0.2
87.01929	0.2
90.97137	0.2
96.96012	100.0
103.35062	0.2
107.01388	0.2
108.02172	0.7
109.02936	0.5
113.02507	0.3
123.00880	0.9
124.01636	0.4
125.02440	1.6
141.59045	0.2
151.00371	0.4
168.00648	0.5
169.01422	2.6
180.98184	0.6
182.99736	0.5
183.02994	0.2
196.97707	0.3
211.02452	0.4
224.97276	0.6
233.01270	0.2
234.99275	0.4
260.60837	0.2
266.98257	0.9
269.43588	0.2
271.04526	0.3
278.98227	0.4
298.98730	0.7
302.98495	0.2
310.19876	0.2
313.05743	0.7
316.99893	0.3
323.00854	0.4
342.20071	0.2
359.14932	0.4
423.09332	6.3
424.09549	0.3
461.04053	2.3
470.58502	0.2
479.05179	1.8
483.07932	0.7
521.06061	4.1
522.06201	0.2
523.04327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03681	0.9
59.01376	5.3
65.00328	2.2
67.01895	1.0
69.51877	3.6
71.01373	8.1
78.57364	0.9
81.03470	0.8
85.02950	2.3
87.00874	1.4
89.02461	3.5
90.97153	2.0
95.01396	2.5
96.95994	4.8
97.02934	1.2
101.02411	1.2
102.65469	0.8
107.01398	1.3
108.02177	13.9
109.02927	4.5
110.00128	2.9
111.00883	1.0
113.02441	3.5
118.96641	2.0
119.03569	0.9
123.00899	9.9
124.01678	2.3
125.02451	10.1
130.35030	0.9
132.98235	1.7
135.04523	2.5
137.02437	2.4
137.99585	1.2
140.01256	0.9
140.98740	1.8
144.06911	0.8
144.98189	1.0
150.97076	1.2
151.00380	3.4
155.03439	1.1
156.98193	1.0
158.99799	1.3
160.97694	1.4
164.98666	1.6
165.01976	1.9
166.96558	1.5
167.00319	2.0
168.00688	2.2
168.98134	1.9
169.01442	15.5
170.99776	1.4
179.03513	2.1
179.05656	1.8
180.98187	8.9
181.01477	2.0
181.99051	1.0
182.99721	12.7
191.05630	1.1
192.00771	1.3
192.98184	1.1
193.01424	1.6
194.96072	6.3
194.99788	2.3
195.96924	3.7
196.03815	5.1
196.97679	7.6
204.81218	0.9
204.98158	2.2
206.97031	1.0
206.99866	2.9
208.97711	1.9
210.99327	1.5
211.02489	5.7
212.97203	2.8
216.98340	1.0
217.00208	1.2
220.97748	3.3
221.98521	3.1
222.99281	4.0
223.96516	1.1
224.03300	6.1
224.97177	11.4
226.95187	1.4
226.98735	1.3
229.00246	2.4
230.99883	1.5
232.97719	2.4
233.01355	3.3
233.98460	2.1
234.99258	7.4
238.98807	1.7
239.05612	11.5
246.99338	1.6
248.97287	1.8
249.00743	1.6
250.98866	1.1
258.99261	2.1
262.98834	3.2
263.02420	3.3
265.97461	3.0
266.98212	17.4
270.99323	2.0
272.00143	1.3
273.00946	2.2
274.98947	1.9
278.98221	8.9
281.33182	0.9
289.00345	2.1
294.97699	1.9
295.00970	1.1
298.98703	11.5
299.01736	1.2
302.98215	3.4
303.99097	4.1
304.99734	2.1
308.99564	3.6
313.05750	2.8
315.99182	1.2
316.99765	10.5
323.00818	5.4
330.97757	2.1
341.00046	1.4
341.11102	5.2
351.00558	2.6
359.09982	1.5
367.88568	0.9
401.11057	2.2
423.09399	11.8
444.04001	1.6
461.04041	38.6
462.04355	1.7
479.05093	42.6
480.05661	2.9
493.03418	3.3
521.06250	100.0
522.06427	4.6
523.04047	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	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
60.99305	13.2
66.92067	0.3
71.01374	0.6
71.44553	0.3
88.98804	100.0
89.99156	0.7
116.22940	0.3
121.42727	0.3
125.02477	0.4
127.71616	0.4
158.42239	0.3
169.01405	0.5
227.03526	0.9
237.70482	0.3
255.03014	1.4
284.03149	1.3
285.04053	1.9
359.20633	0.4
374.93057	0.4
431.09698	2.1
521.19861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01378	44.3
61.98829	6.3
71.01380	15.7
71.44626	1.2
72.99299	0.9
73.02946	4.2
78.26743	0.8
83.01361	1.4
85.02946	5.9
87.00878	1.5
89.02438	3.8
95.01373	2.2
96.96008	18.2
97.02945	1.0
97.06601	0.9
101.02437	5.9
106.71043	0.8
109.02895	1.0
109.06600	1.0
113.02470	9.3
115.00367	11.6
119.03494	1.8
125.02456	1.9
128.18100	0.8
133.01430	3.6
139.11288	19.0
163.06062	1.1
163.11275	1.5
165.09071	1.2
175.02463	4.1
181.12347	12.2
183.10266	23.5
184.10460	1.1
191.05653	2.1
199.13297	2.7
225.11295	16.6
243.12360	100.0
244.12675	2.5
257.13757	1.8
273.49182	1.0
285.05914	1.1
285.13419	20.6
297.12567	1.0
315.14346	1.7
341.19440	1.4
344.38467	0.9
345.15549	3.0
363.18579	1.0
387.16617	2.9
390.47330	1.1
405.17618	50.7
406.17807	2.5
431.14557	1.3
469.13461	0.9
521.18433	2.9
521.25909	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	521.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01378	31.8
59.70584	0.7
61.98820	1.2
65.68073	0.6
69.25787	3.4
71.01381	26.7
72.99313	0.9
73.02941	4.4
78.94277	0.6
82.73071	0.6
83.01368	0.9
85.02959	3.6
87.00878	1.4
88.98834	0.8
89.02442	11.3
95.01393	1.8
95.05041	1.4
96.95999	1.8
97.02936	0.6
99.04501	1.3
101.02429	6.4
108.02153	1.3
109.02969	1.8
113.02449	5.3
115.00372	15.7
119.03503	4.1
123.00907	1.2
125.02447	3.2
134.03789	0.7
149.04633	0.7
151.00378	0.9
151.03928	1.1
153.09227	1.1
160.01694	1.6
161.02412	1.1
161.04532	0.8
163.11279	3.2
169.01442	4.4
173.53169	0.6
175.02473	4.4
175.03998	1.8
176.69885	0.6
177.02052	0.8
179.05606	1.1
181.12338	30.4
182.12715	1.1
191.05577	1.2
207.10237	1.2
225.11314	76.7
226.11693	1.5
243.12317	2.6
267.08362	0.8
289.07220	1.1
327.03424	1.3
341.19702	2.1
359.15305	1.2
359.20685	2.6
375.59442	0.7
405.17636	100.0
406.17984	3.9
447.12805	1.2
475.72903	0.6
509.28763	0.7
521.12152	1.0
521.19037	9.3
521.26178	4.6
538.50104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14175	0.3
54.15601	0.4
59.01370	1.6
69.29699	1.9
71.01382	2.1
73.02948	0.8
81.74622	0.3
85.02932	0.7
87.11852	0.4
89.02428	0.5
92.86457	0.3
96.96011	1.7
98.22701	0.6
99.00864	0.5
101.02416	0.9
108.02181	0.8
109.02943	13.5
113.02470	0.7
123.04517	0.9
125.02330	0.4
151.11792	0.3
159.04500	6.4
161.04509	0.7
161.06055	0.5
162.71678	0.4
173.06059	4.1
185.06071	0.3
189.05539	3.9
191.07094	1.8
195.04524	0.4
201.05566	0.7
203.07135	2.2
205.08676	0.5
211.04025	0.3
212.04759	0.4
213.05522	0.4
239.07039	0.4
240.04181	1.7
241.05028	9.4
251.07039	0.4
255.06604	6.4
256.07275	0.4
265.08710	0.9
267.06631	0.9
269.08231	2.0
281.08060	1.1
283.09821	0.4
295.09763	0.9
296.10352	0.4
298.08392	1.1
299.09210	7.2
313.10822	10.6
314.11243	0.4
327.12317	0.8
328.09003	0.4
329.10336	4.3
343.11856	2.6
344.12619	36.2
345.12949	1.1
359.14975	100.0
360.15283	4.0
521.19733	2.2
521.26514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
54.85058	0.2
59.01360	0.9
66.54369	0.3
68.44379	0.3
69.38797	1.1
71.01396	1.6
73.02943	0.6
79.76131	0.3
85.02945	0.8
90.55031	0.3
96.08765	0.2
96.95998	0.9
98.21822	0.4
101.02448	1.0
108.02187	0.9
109.02950	12.9
113.02467	0.9
113.36641	0.3
123.04531	1.1
159.03178	0.5
159.04503	4.9
161.04565	1.1
161.06050	0.5
171.04521	0.4
173.06081	4.1
189.05550	3.7
190.06226	0.6
190.68544	0.3
191.05550	0.4
191.07100	2.6
203.07097	2.3
205.08661	0.4
212.04906	0.4
213.05424	0.4
219.06540	0.3
224.04770	0.3
225.05620	0.7
235.67873	0.3
240.04320	1.9
241.05055	11.1
243.06801	0.4
243.12602	0.3
255.06624	6.5
256.07306	0.4
265.08615	0.6
267.06555	1.0
269.08139	1.5
281.08154	0.8
283.09686	0.8
295.09750	0.9
296.10370	0.4
298.08475	0.7
299.09235	6.9
300.09723	0.4
310.69049	0.3
313.10809	10.3
314.11188	0.4
315.12280	0.4
327.12445	0.5
329.10269	5.2
329.13980	0.5
341.19730	0.5
343.11926	2.7
344.12628	35.0
345.13052	1.2
359.14978	100.0
360.15335	3.8
414.17981	0.3
474.22595	0.3
521.19794	2.3
521.25574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59531	0.2
56.19329	0.3
57.36792	0.3
59.01376	5.2
70.51543	0.4
70.51876	0.4
71.01379	4.7
73.02947	1.2
75.06557	0.3
83.01389	0.5
85.02969	1.7
89.02443	3.5
93.03458	0.5
94.77548	0.3
97.02955	0.3
99.00862	0.4
101.02450	3.1
101.53085	0.3
108.02155	0.4
109.02937	1.0
111.08121	0.4
113.02473	1.4
119.03501	0.8
121.02968	4.1
122.03719	1.8
123.00903	0.4
123.04543	0.6
124.01585	0.5
125.02454	0.9
131.03490	0.9
131.05025	0.4
134.03703	0.7
135.04509	0.4
136.05292	2.1
137.06090	0.6
143.05096	0.6
145.02849	0.4
147.04518	2.4
149.02441	0.6
149.04567	1.8
149.06065	0.6
150.03279	1.7
150.04324	0.3
151.03984	0.3
153.09206	1.0
158.03740	1.9
159.04518	8.9
160.05299	28.8
161.04567	1.7
161.06081	7.3
163.03973	1.6
164.04834	2.8
169.01457	1.4
173.06062	2.8
174.06845	2.3
175.07639	24.4
176.04768	0.5
176.08009	0.6
177.01929	0.4
177.05568	4.0
178.06352	14.5
191.05559	0.6
192.07918	8.2
193.08698	2.5
235.33215	0.3
276.02753	0.6
278.81497	0.3
291.05045	0.3
299.13116	0.4
300.02661	0.4
314.11560	0.9
329.13922	100.0
330.14297	3.0
359.15012	3.9
359.20532	1.0
389.21854	0.8
411.09708	0.4
424.85818	0.3
441.08057	0.4
463.08856	0.4
521.26099	3.4
540.01959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
58.81249	0.2
59.01381	6.6
69.20657	1.9
71.01382	6.6
73.02939	2.0
78.07277	0.3
78.91861	0.5
81.03472	0.3
83.01396	0.6
85.02950	1.5
89.02435	4.7
97.02944	0.3
98.21866	0.6
101.02449	4.0
108.02169	0.5
109.02940	1.3
113.02452	2.0
119.03515	0.9
121.02954	3.3
122.03731	1.4
123.00896	0.7
123.04503	0.8
124.01659	0.7
125.02438	1.7
131.03482	1.1
134.03714	0.6
135.04536	0.5
136.05287	1.3
137.02428	0.5
137.06096	0.4
143.05002	0.7
147.04529	2.3
149.02420	0.9
149.04552	2.5
149.05927	0.5
150.03223	2.2
151.04015	0.4
153.09227	0.7
153.79655	0.3
155.10706	0.3
158.03699	2.3
159.04510	8.5
160.05296	26.5
161.04547	1.8
161.06059	7.5
163.04004	2.1
163.06119	0.4
164.04810	2.9
169.01433	2.0
173.06055	3.4
174.06848	2.2
175.07632	27.0
176.04762	0.6
176.07947	0.7
177.01872	0.4
177.05568	4.1
178.06349	15.6
179.06815	0.5
191.05504	0.6
192.07910	8.1
193.08698	3.5
209.15494	0.3
217.01297	0.7
289.07172	0.4
291.05176	1.0
299.12912	0.5
299.27322	0.3
314.11575	1.2
329.13913	100.0
330.14261	6.1
341.19678	0.6
359.15009	4.1
359.20691	1.1
389.21890	1.3
405.17746	0.4
441.08252	0.4
463.09125	0.4
503.25391	0.4
521.26184	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	521.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65659	0.7
55.01883	1.0
57.03445	1.6
59.01378	100.0
60.18853	0.8
61.98825	3.7
69.03437	1.4
71.01381	43.3
71.05032	1.1
72.99304	2.1
73.02943	22.5
81.03444	1.6
83.01368	5.4
85.02949	12.5
85.06582	2.5
87.00408	0.8
87.00840	4.0
87.04527	4.2
89.02447	42.9
93.03426	0.8
95.01400	2.0
97.02946	2.1
99.00927	1.5
99.04524	0.8
101.02437	45.1
103.04003	13.3
108.02168	4.7
109.02955	9.3
113.02451	12.1
115.04007	5.8
117.97410	0.9
119.03498	12.6
125.02440	11.9
127.04031	1.3
131.03487	11.1
135.11819	2.2
135.98352	1.1
143.03506	8.9
145.05042	5.0
149.04543	7.6
151.03996	1.2
161.04558	4.8
163.06117	45.8
167.10765	40.6
179.05640	5.5
185.06146	1.5
191.05548	1.4
191.10666	0.9
205.07162	18.1
205.08945	1.4
211.02551	1.0
215.85612	0.9
229.05002	3.3
233.06606	1.1
265.09332	3.9
267.16046	7.1
293.08798	10.8
307.10397	1.9
308.66348	0.8
313.07312	1.0
315.18085	3.7
343.00098	0.8
373.09293	1.0
423.09583	1.0
459.21634	0.9
461.23898	33.2
462.23874	1.0
474.61954	0.9
483.13055	4.1
521.32861	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	521.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53268	0.6
54.52816	0.6
56.81226	0.7
57.03432	1.3
58.00600	1.4
59.01376	100.0
60.01699	0.9
60.63602	0.7
61.98831	1.0
66.68559	0.7
67.95763	0.6
69.03453	2.0
71.01380	30.0
71.46206	0.8
72.99309	1.6
73.02942	23.9
81.03425	0.7
83.00988	0.6
83.01373	3.8
85.02943	11.7
86.00095	1.4
87.00871	6.3
87.04523	3.1
89.02439	31.4
95.01366	1.7
97.02969	2.2
99.00863	0.9
101.02438	47.2
103.04001	19.0
109.02959	2.0
113.02441	7.1
115.04002	6.6
119.03499	12.3
125.02433	8.0
127.04026	2.5
130.41692	0.6
131.03511	7.1
143.03494	9.9
145.05066	5.8
149.04584	2.0
161.04575	2.1
163.06116	65.9
167.10771	27.0
179.05597	3.1
189.01904	0.6
205.07162	22.4
210.67888	0.7
222.13863	0.7
247.08279	1.8
263.54858	0.7
265.09238	6.6
267.16232	1.1
286.54230	0.8
293.08865	2.7
307.10327	6.1
315.17975	1.5
325.11530	1.2
461.23889	20.4
461.30286	1.1
475.21823	1.9
483.08441	0.7
521.20074	1.7
521.33221	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19144	0.1
55.01869	0.5
57.03431	0.7
58.00575	0.2
59.01378	14.1
60.76251	0.1
61.98824	0.4
67.01866	0.2
69.03443	0.2
71.01378	8.3
72.99290	0.4
73.02943	1.7
76.71362	0.1
82.32623	0.2
82.95435	0.2
83.01384	1.5
85.02942	3.0
85.92670	0.1
86.00128	0.2
87.00851	0.7
89.02439	4.1
95.01376	0.7
97.02949	0.2
98.22578	0.2
99.00884	0.5
101.02439	5.3
107.01335	0.2
109.75552	0.1
111.00851	0.3
111.39193	0.2
113.02438	2.8
119.03487	1.5
124.01601	0.3
124.62504	0.2
125.02440	0.7
127.11301	0.2
141.12854	0.2
156.42560	0.2
160.08615	0.1
164.29060	0.2
168.00633	0.3
169.01398	1.0
169.06116	0.4
178.52599	0.2
185.11850	0.2
211.02502	1.5
271.04599	2.1
271.22815	0.2
311.22440	0.3
311.25906	0.3
313.23825	2.5
331.06598	0.4
341.23105	0.3
341.26965	4.4
342.27069	0.2
357.26352	0.2
359.28003	19.7
360.28491	0.8
401.29013	0.4
503.32327	2.0
521.33270	100.0
522.33618	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.0
59.01377	15.3
61.98800	0.8
69.17725	2.6
71.01379	9.4
72.99317	0.6
73.02937	1.6
73.30255	0.4
76.57050	0.4
83.01385	1.2
85.02958	2.9
87.00877	0.6
89.02438	4.6
95.01409	0.4
99.00901	0.6
101.02437	5.4
103.01495	0.4
113.02464	3.0
119.03483	1.2
122.12961	0.4
125.02385	0.6
133.06595	0.8
141.12866	0.5
155.12270	0.4
270.80762	0.4
295.22647	0.6
313.23859	1.8
341.26929	7.9
342.27344	0.6
357.26343	0.7
359.24469	0.9
359.28006	21.1
360.28360	0.8
401.29312	0.6
443.27765	0.4
461.23969	0.4
503.32077	1.4
521.33295	100.0
522.33685	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	523.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
60.99304	17.1
61.98828	27.2
71.01375	7.3
71.44610	0.7
73.02945	2.1
83.01387	2.8
85.02950	3.0
87.00865	0.8
88.98804	100.0
89.02451	4.7
92.93312	0.7
101.02425	5.1
107.01391	3.0
108.02219	0.9
109.02946	2.7
111.00836	1.0
111.16676	0.7
113.02449	2.6
119.03473	1.3
120.80930	0.6
121.02946	1.7
122.03738	0.9
124.01617	1.7
125.02444	1.6
129.01939	1.5
130.55515	0.8
131.03502	1.5
145.02989	0.8
149.04587	1.1
150.38933	0.8
151.00409	7.3
154.99080	1.1
155.10773	7.6
161.04541	1.0
163.00386	1.0
163.06154	0.9
164.09390	0.8
165.05493	0.9
168.00563	1.8
169.01398	1.1
178.99875	3.4
183.02998	3.3
199.09805	4.0
209.11873	2.1
211.04012	0.8
227.03555	1.1
243.03008	4.5
245.04472	1.0
249.03871	1.1
254.02295	1.3
255.02966	12.7
271.02460	23.3
272.03229	1.6
283.02417	1.2
300.02737	46.3
301.03497	42.5
302.03946	2.0
343.21243	3.2
361.16998	4.1
361.22128	6.6
391.23242	3.5
433.07721	69.5
434.08151	3.8
463.21439	1.1
523.20715	6.2
523.27814	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	523.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11940	0.6
55.38230	0.6
55.45662	0.6
59.01380	8.5
60.99012	1.2
60.99305	16.4
61.98829	24.1
61.99921	0.6
65.08955	0.6
71.01371	4.8
73.02951	2.2
74.99062	0.8
83.01377	1.9
83.05032	0.7
85.02948	2.4
86.36324	0.8
87.00922	0.9
88.98804	100.0
89.02440	4.3
95.01378	0.9
101.02457	4.8
107.01390	2.9
108.02199	1.1
109.02937	2.0
113.02441	2.2
119.03498	1.4
122.03600	0.8
123.00922	0.9
124.01669	1.8
125.02438	1.9
139.02234	0.7
139.04036	0.7
149.04555	1.2
151.00385	7.1
154.99075	0.9
155.10770	6.9
161.04523	1.0
163.00343	1.4
163.06137	1.7
163.74515	0.6
165.05605	1.9
168.00655	1.4
169.01390	2.7
178.99896	3.0
179.05656	0.7
183.02991	3.6
191.05598	0.7
199.09795	3.8
209.11882	3.2
211.03970	0.9
226.02826	1.1
227.03406	1.4
229.04846	0.8
238.40591	0.7
243.02992	3.3
245.04442	1.7
255.02951	10.5
256.03436	0.9
271.02472	22.2
272.02997	1.0
283.02521	0.8
300.02740	48.6
301.03503	41.4
302.04034	1.6
343.15051	0.6
343.21201	2.8
361.16757	4.9
361.22281	7.6
390.93210	1.1
391.23297	2.9
400.54919	0.8
424.19858	0.7
433.07730	69.6
434.07895	3.7
463.21948	2.0
469.02646	0.8
513.27600	0.7
522.26459	0.9
523.20819	6.1
523.27771	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51457	0.4
57.03449	0.7
59.01377	14.3
60.99301	15.5
61.98814	0.7
64.08107	0.5
69.22774	2.3
71.01378	7.7
72.76579	0.4
72.99348	0.5
73.02932	3.6
74.75346	0.5
75.00872	1.1
83.01382	0.6
85.02946	1.6
87.00868	0.9
87.04496	2.1
88.98801	100.0
89.02437	8.9
89.99136	0.6
95.01395	1.2
96.95942	0.6
97.02958	0.8
101.02442	9.9
108.02167	0.9
109.02951	2.2
113.02452	4.5
115.00347	1.0
119.03504	2.6
123.00893	0.8
123.04583	0.5
125.02453	5.2
131.03482	0.9
133.02950	2.4
133.10190	0.5
134.03726	0.6
135.04515	1.8
135.08154	1.1
137.09714	7.5
139.11288	0.9
143.03539	1.1
149.04561	0.6
155.10771	14.8
161.02461	14.3
161.04501	2.5
161.05823	0.5
167.54616	0.6
169.00172	0.6
169.01416	2.5
169.12347	1.2
171.48175	0.5
177.05524	0.6
179.03488	1.1
179.05600	6.4
181.08701	1.8
181.12280	1.1
182.12584	0.5
193.21741	0.5
194.91283	0.5
195.06531	0.6
199.09743	16.2
213.11290	0.9
221.06667	1.6
225.11308	2.3
226.11629	2.2
241.10806	7.1
245.13939	1.4
264.26709	0.6
305.08871	0.5
323.07596	0.6
343.21057	0.9
361.22391	2.1
405.17398	0.9
406.18060	2.0
407.18182	3.6
433.11340	19.9
434.11938	0.7
441.08002	0.9
463.22025	0.8
505.19183	0.9
522.26904	0.7
523.20099	3.7
523.27692	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	523.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
61.98808	0.5
71.01357	1.2
74.33337	0.5
81.03458	0.8
83.05014	0.7
85.02943	9.8
87.00877	2.2
93.03452	3.6
95.59441	0.5
96.95472	0.5
96.95995	3.1
97.02955	0.4
97.93275	0.5
98.95575	3.0
109.02951	1.4
111.04543	1.5
113.02459	0.6
122.95449	1.0
123.00883	1.0
125.02441	21.6
126.02809	0.7
127.03099	0.5
127.04007	3.2
132.85565	0.5
137.02536	0.6
169.01418	49.1
170.01752	1.4
171.02985	0.5
171.70639	0.6
173.04503	1.0
191.05603	100.0
192.00539	0.7
192.05997	1.8
206.93904	0.9
247.96315	0.5
252.94453	1.0
271.04962	0.5
289.97543	0.8
300.99948	2.1
303.51569	0.5
331.06668	22.5
332.07089	0.6
356.95392	0.5
379.98453	0.6
425.03992	1.3
425.09354	0.6
433.77591	0.5
462.98837	0.9
477.77707	0.6
485.08112	1.1
505.00317	2.3
523.06000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62146	0.7
59.01380	2.9
67.01887	0.8
69.64162	2.2
71.01381	2.1
75.00935	0.6
81.03450	1.2
85.02946	9.8
87.00847	2.0
89.02431	0.7
93.03459	3.5
94.83153	0.5
95.01395	0.6
98.22603	0.7
104.60091	0.6
108.72507	0.6
109.02927	0.6
111.04534	1.1
116.93241	0.5
124.01550	0.6
125.02443	18.3
126.76443	0.7
127.04015	2.2
135.04506	0.6
167.97884	0.6
169.01421	45.0
170.01645	0.6
173.04532	0.8
179.05656	1.1
191.05603	100.0
192.05896	1.5
216.38297	0.7
271.04578	0.8
294.16519	0.7
331.06631	22.6
332.06995	0.7
341.10681	0.7
343.06628	0.9
467.23569	0.6
523.15790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.218
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01369	2.9
69.32813	1.1
71.01373	2.0
73.02921	0.7
75.00883	0.5
79.62037	0.4
83.01333	0.4
85.02938	0.9
88.89112	0.4
89.02453	1.1
93.03466	1.1
98.21775	0.7
101.02424	1.8
105.21772	0.4
108.02145	0.5
109.02962	3.1
113.02448	1.1
119.03582	0.4
121.02959	9.9
122.03738	13.6
123.04496	1.4
125.02419	1.1
129.03377	0.6
131.05057	0.4
134.03748	0.9
135.04532	1.9
136.05252	1.2
137.02431	0.7
147.04536	5.3
148.05281	0.6
149.06088	0.6
155.10783	2.2
160.05328	0.4
161.04637	0.6
161.06107	1.4
163.06015	0.5
165.05560	20.5
166.05870	0.7
169.01410	0.5
178.06367	1.1
179.05649	0.9
179.07114	6.8
199.09789	2.2
221.08485	0.4
223.09737	1.1
243.12242	0.6
298.12106	1.0
313.14450	0.8
315.09286	0.4
315.12375	1.9
316.13138	0.6
346.14197	9.4
361.16544	100.0
362.16898	4.8
365.19870	0.4
461.93356	0.4
480.24725	0.4
523.20520	1.2
523.27972	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03434	2.9
58.00537	0.6
59.01368	4.6
61.98814	1.0
69.16119	2.6
71.01381	25.4
71.05009	2.7
72.02174	0.6
73.02945	7.6
75.00878	0.6
80.60258	0.5
81.03463	1.0
82.95397	1.0
83.01395	3.3
84.00928	0.9
84.95121	8.5
85.00433	6.8
85.02943	12.6
87.04514	59.5
89.02431	1.0
95.01389	1.5
97.02946	0.7
99.00871	2.9
101.02441	14.1
101.06063	1.5
107.04979	0.6
108.02171	40.3
109.02957	51.4
113.02445	13.8
123.04496	2.2
123.08222	0.6
125.02436	1.7
137.09750	1.5
138.33136	0.6
143.03471	1.7
151.03976	2.2
159.02953	2.0
161.04552	27.6
163.03951	0.8
181.12396	0.7
189.16490	0.8
203.26332	0.6
204.73999	0.6
207.17531	5.3
217.97084	0.7
225.18593	2.5
251.16533	1.7
269.17566	100.0
270.17844	1.7
271.08224	17.8
272.08572	1.0
286.49042	0.6
293.17676	4.2
305.17603	2.1
311.18723	0.9
323.18588	1.5
335.18689	2.7
365.19690	2.4
413.21841	1.4
523.25293	2.4
523.32312	0.8
524.96191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2757
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
55.18154	0.6
57.03449	1.1
59.01377	32.9
61.98823	3.2
71.01381	17.3
71.45180	0.7
72.99316	1.1
73.02953	4.6
74.58331	0.6
81.77922	0.6
83.01415	0.6
85.02943	4.1
88.98821	0.6
89.02441	11.6
95.01402	1.4
101.02447	7.3
108.02188	1.2
109.02975	1.3
113.02455	5.9
119.03468	3.9
119.05042	1.7
123.00891	0.9
125.02463	1.3
125.09753	2.9
127.11275	2.7
143.10788	1.8
149.04544	0.7
151.11127	0.6
155.10789	2.6
161.04536	1.4
163.04008	1.9
167.03532	0.7
169.01450	1.4
171.10271	4.2
201.11330	2.2
249.70152	0.7
263.20084	4.0
269.13940	0.9
281.21204	14.9
282.21875	0.7
297.20703	5.3
299.22250	77.7
300.22687	2.9
301.20193	2.4
325.20135	4.6
327.71609	0.8
343.21228	100.0
344.21585	4.2
361.22229	3.7
463.25790	0.8
523.27576	64.2
523.34369	3.8
524.28021	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	523.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70835	0.8
52.58717	0.7
55.01881	2.0
57.03444	2.5
59.01379	39.7
61.98833	1.8
66.27525	0.7
69.77615	1.8
69.77977	1.7
71.01381	23.2
73.02947	13.0
78.69906	0.9
83.01382	8.4
85.02951	11.8
87.00877	2.6
87.04514	100.0
89.02416	4.0
95.01414	1.4
97.02968	1.0
98.21906	1.1
99.00317	0.8
99.00880	4.4
101.02440	25.6
103.04021	1.6
109.02959	1.4
113.02444	6.9
119.03520	1.1
125.02455	3.5
132.90941	0.8
134.35544	0.8
142.60649	0.9
143.03510	1.3
144.15256	0.8
145.05125	1.0
159.03059	1.1
161.04529	5.7
163.06140	1.5
182.96803	0.8
219.08705	0.7
247.08241	1.1
269.17538	1.3
289.16650	1.1
307.17633	0.9
317.19675	35.0
340.15088	0.8
343.70630	0.8
357.94113	0.8
401.45764	0.8
435.22342	4.8
435.30331	0.9
443.33890	0.8
457.64206	0.8
463.25476	56.1
464.25681	1.9
511.46140	0.8
523.33948	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	524.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43538	0.1
53.26971	0.1
54.55967	0.1
59.01373	0.3
61.98828	100.0
66.81956	0.1
69.27070	0.9
97.46230	0.2
106.58942	0.1
109.02975	0.2
133.06578	0.8
134.06938	0.7
147.04543	0.3
148.04872	0.2
226.08344	0.1
282.12231	0.2
283.12488	0.2
302.41821	0.2
523.33826	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	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00254	2.3
59.01381	11.2
61.98830	24.1
69.41170	10.3
70.71513	2.4
71.01371	9.3
71.09685	2.1
73.02945	6.1
75.35085	2.0
80.33984	2.0
84.95124	3.8
85.02957	3.8
94.06644	3.9
101.02438	8.3
107.03786	6.2
109.02945	3.0
113.02448	4.9
122.06114	29.1
123.58123	2.0
124.07613	2.2
132.04555	4.0
134.06075	4.5
136.20363	2.4
145.02972	3.0
152.07156	45.8
160.03970	2.6
169.01442	2.7
171.52245	2.3
190.05063	4.2
207.02621	2.4
215.11900	2.6
227.12791	2.4
239.11897	9.4
267.07776	3.0
268.08478	2.9
283.10812	25.9
295.10800	10.1
420.19263	4.0
448.18713	9.5
492.17761	19.1
523.34827	4.2
524.20380	100.0
524.35101	10.5
525.20752	7.1
525.29089	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	524.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.2
61.98549	1.6
61.98831	27.6
67.67422	1.2
68.47308	1.2
69.28048	5.9
70.47900	1.0
71.01376	3.3
73.02934	2.4
83.01359	1.7
84.95161	5.3
85.02945	1.9
89.02425	2.6
94.06609	3.4
94.98035	1.5
98.21853	2.4
101.02425	3.9
104.05032	1.3
106.06603	1.4
107.03754	6.8
112.35743	1.1
113.02393	1.3
122.06127	30.7
124.07646	1.2
125.02376	1.2
132.04552	7.3
134.06128	3.8
135.06891	2.8
139.02696	1.1
144.04544	1.7
150.05621	1.3
152.07169	63.6
158.02422	1.5
160.03972	3.2
161.04654	1.6
176.03523	2.5
190.05089	6.6
211.06473	1.3
215.11858	2.0
223.08763	4.3
224.09528	4.3
237.10266	1.9
238.10994	2.1
239.11871	16.6
240.10320	2.7
251.11806	1.9
253.06186	3.6
255.07555	1.4
265.09827	2.5
267.07715	3.9
267.11182	1.6
268.08484	3.7
280.08475	3.2
281.09378	1.9
282.10056	1.7
283.10876	43.9
284.11249	2.8
295.10907	8.7
296.11401	1.9
309.08725	1.4
312.11169	2.0
323.10181	1.8
324.11148	1.6
335.20770	4.5
420.19269	2.4
430.17670	1.5
448.18826	39.9
461.23376	1.8
464.18280	1.3
480.21060	1.4
481.26401	10.5
492.17734	100.0
493.18369	6.4
524.20453	16.2
524.27502	1.9
524.35114	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	524.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98828	100.0
71.01369	0.5
71.45515	0.5
101.02455	1.1
101.78351	0.4
111.05133	0.5
114.02934	0.4
122.06165	0.6
122.09922	0.6
152.07274	0.9
177.35242	0.5
224.88890	0.5
262.23038	0.6
299.57779	0.5
524.17303	0.8
533.81091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65183	0.6
69.57410	2.2
94.83976	0.7
98.14210	0.6
98.22619	0.6
112.05357	0.6
119.53375	0.6
135.04500	0.8
152.01163	0.6
161.02470	1.0
162.03249	1.5
163.00343	3.8
164.01181	1.9
165.01840	0.7
166.02725	1.0
170.71483	0.7
177.01913	1.1
178.99858	1.0
189.01952	1.1
190.02713	3.4
190.99854	10.8
191.05693	0.8
192.00635	100.0
193.01392	14.8
194.02187	4.3
205.01396	4.6
206.02164	2.1
207.02971	71.3
208.03386	1.2
214.66287	0.6
222.01720	1.6
233.00977	2.2
234.01688	11.5
235.02408	1.1
237.04042	1.8
249.04027	13.8
309.06061	0.6
312.04819	3.3
327.07172	39.7
328.07608	0.7
337.05539	0.8
348.65448	0.6
354.05856	2.4
369.08246	49.0
370.08618	0.9
411.09286	4.7
465.03452	1.6
471.10953	0.6
489.12463	18.9
525.05225	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25296	0.8
53.70481	0.8
59.01377	16.7
61.98817	3.6
68.59429	0.8
69.28971	3.6
71.01377	7.6
72.99317	1.3
73.02945	4.7
77.31930	0.8
81.03466	3.9
83.05023	10.7
85.02940	2.2
85.88431	0.8
87.00877	1.0
89.02444	8.2
90.44782	0.9
90.51105	0.8
98.21858	1.6
100.07717	1.3
101.02451	7.8
103.04038	1.4
108.02172	0.9
109.02946	1.3
113.02425	2.3
115.35602	0.8
119.05026	82.8
120.05374	1.5
123.02058	0.9
125.02448	1.2
131.03505	3.7
136.79233	0.9
143.03554	1.1
145.02937	4.2
149.04572	4.8
155.10707	2.5
161.66968	0.9
163.04016	100.0
163.05969	5.6
164.04323	1.5
169.01350	0.9
169.78326	0.9
191.05688	1.4
199.09775	5.0
205.07172	1.2
217.10815	0.9
225.15964	1.3
230.65575	0.9
243.17151	2.4
325.09207	7.3
363.14420	6.6
524.35681	11.1
524.85956	16.1
525.19104	7.4
525.35919	7.2
525.86310	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	525.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98877	1.2
59.01376	15.6
61.98816	4.3
71.01381	10.6
72.99298	1.7
73.02947	5.3
81.03454	4.4
83.05033	9.2
85.02947	4.7
87.00893	2.3
89.02434	7.8
98.21906	3.6
99.59938	1.2
100.07681	1.5
101.02448	7.7
103.03983	1.1
109.02931	3.7
113.02431	2.2
119.05029	82.9
120.05388	2.7
125.02412	2.5
130.14998	1.1
131.03516	2.0
145.02963	3.8
149.04527	3.4
155.10782	2.8
163.04008	100.0
163.06172	4.3
164.04428	1.9
183.91972	1.1
189.72348	1.1
199.09747	5.3
239.14940	1.4
243.17050	3.4
280.17200	1.2
325.09167	7.8
349.86087	1.2
362.29895	1.7
363.14380	5.5
524.35541	7.3
524.85992	9.9
525.19592	8.1
525.28125	2.4
525.35907	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	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41556	1.4
53.63889	1.7
53.89919	1.6
55.01878	3.7
57.03437	4.4
59.01377	56.1
59.53225	1.6
61.98820	6.7
69.03467	2.6
69.18370	8.9
71.01382	49.4
72.00475	1.5
72.99338	1.8
73.02943	29.1
81.03466	2.9
83.01381	14.4
85.02942	24.0
86.00108	4.1
87.00871	32.4
87.01376	2.3
89.02449	11.2
95.01378	3.4
97.02956	5.4
98.17822	1.4
99.00903	5.5
101.02443	42.5
101.03094	2.8
103.03989	8.9
108.02096	3.3
108.44708	1.5
109.02987	3.7
113.02440	15.7
115.04026	2.6
119.03507	5.4
125.02413	9.6
126.79505	1.4
127.04037	2.5
143.03525	2.7
145.02942	1.6
145.05109	3.3
157.12332	5.9
159.02980	2.4
161.04556	13.2
163.06129	13.9
167.98587	4.5
169.98300	11.0
211.13414	2.1
229.14426	34.5
247.08240	4.0
283.61392	1.6
307.10333	4.9
319.17621	33.1
465.23380	100.0
466.23676	3.5
483.33167	2.1
514.00275	1.8
525.26666	2.0
525.34222	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	525.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07613	0.5
59.01378	32.7
61.98827	3.3
69.36469	2.4
71.01376	8.0
72.99306	1.4
73.02946	10.3
76.13049	0.7
81.03457	2.0
83.01386	0.7
83.05029	5.0
85.02948	4.2
87.00872	1.8
87.04524	0.9
89.02446	9.8
93.03447	0.7
101.02437	15.5
103.04015	6.5
109.02950	2.7
113.02456	1.0
115.03999	2.2
118.83932	0.6
119.03545	2.9
119.05024	82.4
120.05322	0.9
125.02428	2.3
127.04055	0.8
131.03484	2.4
137.06062	1.3
137.09747	0.9
143.03488	2.6
145.02951	4.5
145.05083	2.7
149.04573	1.1
151.03975	1.0
155.10800	2.0
155.15668	0.7
159.81323	0.6
161.04469	0.7
163.04010	100.0
163.06068	28.3
164.04321	2.2
169.01395	0.8
199.09760	4.7
205.07167	4.8
243.17146	1.2
265.09326	1.8
325.09219	7.2
363.14587	5.0
524.35492	1.3
524.85944	11.8
525.19269	6.0
525.36237	7.3
525.86578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.9
59.01377	51.4
61.07144	1.7
61.98820	5.0
70.72032	1.7
71.01377	23.8
72.99286	1.9
73.02943	17.4
73.87685	1.8
80.73122	1.7
83.01369	11.0
85.02945	17.5
87.00854	2.5
89.02439	4.3
92.39010	1.8
99.00893	4.6
101.02438	35.5
113.02451	12.0
145.04977	2.0
157.43657	1.6
161.04561	7.7
211.50256	1.9
271.19037	2.5
319.21237	66.6
320.21530	2.1
321.05316	1.7
343.19296	1.9
358.09467	1.9
425.85571	2.2
426.92761	1.9
435.01984	2.6
465.26993	100.0
466.26859	3.0
539.76801	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.9
61.98830	55.6
69.74960	4.1
69.75317	1.2
71.01390	2.9
75.00877	1.3
85.02934	2.3
89.02441	2.3
89.41766	1.3
91.60874	1.2
96.95999	1.6
101.02460	3.5
107.01373	2.5
108.02200	1.4
109.02943	7.6
109.03585	1.2
113.02405	1.4
119.05035	2.9
121.02955	4.8
123.00886	1.9
123.04510	1.9
124.01646	2.0
125.02414	4.5
137.02386	2.0
138.63264	1.3
139.04037	2.9
149.02452	5.2
151.04021	2.2
152.01117	2.1
153.01955	7.3
153.05498	1.4
161.02444	2.7
163.03967	3.7
164.01154	1.9
165.01883	3.1
165.05563	2.0
168.00565	1.9
169.01326	4.1
170.67863	1.4
177.01939	2.6
181.01288	2.0
183.03006	5.6
184.03349	3.9
190.02742	1.8
191.05638	1.7
192.00661	39.3
193.01421	60.8
194.02084	3.7
195.03012	9.5
197.04578	2.7
205.01428	2.2
206.02019	1.9
207.02959	13.0
223.02486	4.3
224.02792	2.1
225.03889	1.4
234.01686	4.7
234.64148	1.3
235.02405	6.4
239.05589	2.1
239.07999	1.4
241.04785	1.8
249.04041	3.5
255.05023	3.8
300.02771	2.2
301.03326	2.2
312.04935	2.9
313.06454	1.5
327.07126	3.9
448.06107	1.8
450.16681	4.4
463.08817	100.0
464.08853	5.4
465.23520	3.4
466.23837	2.1
482.19186	4.1
496.13464	4.5
508.13199	2.1
525.13513	1.8
526.13940	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	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59960	0.9
59.01353	1.3
61.98831	11.9
62.44554	0.9
64.44264	0.9
65.00340	1.2
66.89553	1.0
70.72902	1.7
72.99312	1.7
78.96663	1.0
82.95415	5.3
83.01388	1.1
84.95151	1.5
107.01340	2.4
121.02936	2.8
124.81434	1.1
145.60837	1.1
148.01659	1.4
149.02393	1.1
151.00388	10.9
155.98712	1.0
160.97017	1.1
163.00327	1.4
169.01421	2.6
178.99887	4.1
210.50072	1.0
212.60959	1.3
227.03511	1.8
243.03043	6.1
254.02426	2.2
255.02951	16.4
271.02466	37.1
272.03049	2.3
300.02740	69.4
301.03500	38.6
424.50516	1.1
463.08829	100.0
464.09033	3.9
527.18384	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15265	1.3
59.01374	26.6
61.98826	37.2
63.02390	2.4
65.00327	3.7
71.01379	10.3
73.02941	4.2
83.01380	6.0
85.02957	3.0
85.66515	1.0
87.00880	2.0
89.02439	7.7
92.66219	1.3
95.01427	1.9
98.22692	1.9
99.00913	2.0
101.02442	10.5
107.01381	11.1
108.02155	1.4
109.02926	6.9
113.02442	3.8
113.06078	1.4
119.03482	3.3
121.02949	8.1
123.00829	1.2
123.04499	1.3
125.02441	4.2
143.03448	1.5
147.09380	1.2
150.94075	1.6
151.00363	47.3
151.04016	1.3
154.13770	1.6
160.01653	2.6
161.04547	2.3
163.06175	4.2
169.01459	8.3
175.02525	2.5
175.03992	3.6
177.01924	4.5
178.99852	24.2
179.03503	1.6
193.04951	3.1
235.06133	2.4
273.03799	1.9
295.08148	6.0
300.02664	2.1
301.03513	100.0
302.03769	2.5
319.17447	9.8
320.17862	3.4
348.09875	1.4
395.08066	1.6
405.35190	1.6
433.89767	1.6
463.08807	96.2
464.09076	4.6
465.23352	12.6
466.23743	7.6
526.18237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18653	0.4
59.01357	0.6
60.99016	0.8
60.99308	14.9
69.48118	1.7
88.98804	100.0
96.44577	0.4
96.95994	1.0
111.00867	0.6
112.73952	0.4
120.99736	0.4
123.00838	0.8
124.01712	0.4
125.02417	0.7
127.35889	0.4
140.01183	0.5
142.20009	0.4
168.00632	0.5
169.01404	1.5
183.03029	0.7
233.05521	0.4
241.53265	0.4
246.96637	0.4
300.11230	0.5
300.99777	1.0
364.48868	0.5
437.10944	3.3
467.08389	0.7
490.62018	0.4
527.00653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44846	1.3
59.01376	9.7
60.99304	12.0
61.98825	10.1
71.01388	6.0
71.44608	1.2
73.02936	5.7
75.00831	1.2
78.91882	11.5
79.95720	3.4
83.01369	1.5
85.02950	2.0
88.98804	72.0
89.02448	2.4
89.27707	1.3
90.97118	5.5
96.96008	100.0
97.93140	1.7
101.02414	3.4
106.75125	1.2
108.02190	9.8
109.02968	9.0
109.42029	1.2
113.02442	1.4
118.96598	2.3
125.02435	2.8
135.04465	3.1
146.96106	2.1
147.67740	1.2
161.13338	2.7
162.74438	1.2
168.98189	1.7
169.01462	2.9
175.96819	1.8
177.01875	3.2
205.12291	1.6
253.07141	3.1
263.05957	1.4
279.09109	3.7
300.99966	1.6
305.07074	1.8
323.08072	1.7
352.20551	1.2
395.82101	1.6
429.17548	3.2
447.09305	2.0
467.12305	49.1
481.26309	3.5
527.17065	3.2
527.28180	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	527.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
67.49889	0.4
72.00907	5.1
74.02470	11.3
85.17494	0.4
87.94442	0.4
97.71941	0.4
103.00362	1.4
113.98898	0.4
116.05064	30.8
117.05369	0.6
123.00887	0.7
125.02437	1.3
129.75792	0.4
130.06641	0.7
142.06615	9.3
157.07654	0.7
159.08095	0.3
159.09279	7.4
169.01431	2.2
186.05630	1.2
203.08252	100.0
204.08647	2.1
275.02054	0.5
313.05634	0.8
385.10428	0.4
423.09402	4.0
424.10013	0.6
467.32889	0.5
498.12897	0.5
527.13123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65219	0.8
57.44458	0.7
59.01369	3.1
59.35199	1.0
60.81742	0.8
60.99307	9.9
61.98837	4.6
69.12692	5.6
71.01374	2.8
75.91327	0.7
87.00877	5.9
88.00386	1.2
88.01237	0.8
88.98805	76.0
89.02441	100.0
103.47663	0.8
108.02148	2.0
109.02958	3.6
113.02406	1.0
149.16429	0.8
161.04538	1.0
181.06572	0.9
273.20743	12.6
296.97433	0.9
333.45267	0.9
433.64502	0.9
485.34842	3.5
527.36041	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	527.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03443	1.7
59.01376	54.0
61.98831	4.1
69.03443	1.1
71.01376	30.5
72.99300	1.3
73.02939	18.1
75.00871	2.3
78.91891	1.1
80.96502	1.6
81.03458	1.0
83.01376	12.9
84.95120	1.9
85.02940	17.7
87.00877	3.3
87.04554	1.1
89.02440	6.3
95.01391	2.1
96.95979	2.1
97.02950	1.9
99.00902	4.6
99.01447	0.7
101.02440	36.7
103.03992	2.9
111.00864	2.6
113.02447	12.1
115.00246	0.8
115.04040	1.1
119.03495	2.0
123.00877	1.7
125.02451	5.6
129.01956	1.0
131.03520	1.2
133.23224	0.8
143.03471	1.8
145.05028	1.2
159.03001	3.8
161.04564	9.5
163.06108	3.5
169.01381	2.5
174.01740	1.5
205.07085	1.0
247.08200	1.1
269.98056	3.3
272.02567	0.9
284.03250	3.4
285.00626	2.0
285.04022	7.1
295.94644	0.9
297.97598	6.0
300.02673	1.1
301.00015	1.6
301.03018	4.1
302.03854	1.4
312.99863	12.7
314.00409	1.5
321.19156	54.3
322.12793	1.4
322.19400	1.5
328.02231	7.6
447.09372	7.8
464.09186	5.1
467.24939	100.0
468.18658	11.1
468.25214	4.0
491.08301	15.2
492.08377	1.7
506.44992	0.9
527.18207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.0
57.03437	3.4
59.01377	54.8
61.98821	3.5
62.37696	0.9
69.03437	0.9
71.01377	30.1
72.99287	0.9
73.02938	17.4
74.00898	0.9
75.00875	2.7
78.91885	1.4
80.17764	0.8
80.46164	0.8
80.96498	1.6
81.83231	0.9
83.01383	11.5
84.95138	1.8
85.02943	17.2
86.00130	1.1
87.00874	2.1
89.02444	6.2
92.85609	0.8
95.01365	2.0
96.96027	2.1
97.02948	1.7
99.00874	3.7
101.01783	1.9
101.02441	33.2
103.04020	1.4
111.00872	1.9
113.02444	10.8
116.54638	0.9
123.00922	2.0
125.02422	4.2
139.88763	0.8
143.03482	2.1
145.05179	1.3
159.02982	2.5
159.13879	1.2
161.04553	8.7
163.06123	1.8
169.01465	2.0
191.33890	0.8
202.15044	0.8
269.98090	2.1
284.03174	3.0
285.00882	1.5
285.03989	5.2
297.97540	4.9
300.99942	1.4
301.03217	2.4
302.03787	1.6
312.99905	9.2
321.19156	50.8
322.19400	2.0
328.02383	5.0
383.12503	0.9
447.03885	1.2
447.09308	6.2
464.09033	4.8
467.24936	100.0
468.18649	4.9
468.25256	4.3
491.08298	10.1
492.08789	1.5
508.88162	1.0
527.17603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
61.95387	0.3
61.98818	2.1
62.34779	0.4
64.74377	0.3
65.00292	0.4
65.89822	0.3
69.69612	0.3
71.01383	0.6
72.22214	0.3
78.95895	1.3
79.95720	3.0
94.98081	0.3
95.97625	0.5
96.96007	100.0
101.02453	0.6
107.01408	0.6
108.02181	0.4
109.02965	0.6
123.00855	0.6
125.02443	1.9
151.00342	0.8
164.91994	0.3
169.01404	1.6
177.01920	0.4
185.16827	0.3
227.03545	1.2
229.05124	0.7
255.02969	3.6
257.04575	0.5
284.03241	5.0
285.00833	0.5
285.04019	8.6
286.04413	0.3
297.00632	0.4
301.00378	0.5
301.03711	0.3
303.05051	0.4
313.00412	0.8
327.98938	0.4
332.40167	0.3
340.99744	0.3
343.01068	0.4
351.35910	0.4
355.01315	0.5
367.21289	0.4
368.23334	0.3
382.96472	0.5
383.00827	5.3
384.00815	0.3
414.99402	0.5
431.09821	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	529.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47441	0.9
54.22617	0.7
59.01497	3.8
59.29455	0.7
61.98652	0.8
61.98917	1.4
66.79916	0.7
69.16235	4.6
71.01514	2.4
78.67403	0.8
85.54398	0.8
89.02551	1.6
101.02560	1.8
106.58197	0.7
107.01521	2.0
109.03075	1.1
113.02620	0.9
119.03603	0.7
121.03065	1.8
123.00200	0.8
123.01068	2.0
124.01832	2.6
125.02602	4.1
133.03197	0.8
135.90858	0.8
136.01773	1.2
137.02574	1.4
138.03426	2.4
139.04140	1.6
149.02570	1.7
160.95705	4.4
161.02684	2.6
162.03299	1.1
164.01141	7.0
165.02092	2.8
166.02882	1.7
166.99974	1.4
168.00758	1.7
169.01656	2.3
179.00002	1.8
179.03680	1.1
182.02316	1.6
183.02951	5.6
190.02942	2.2
191.98140	2.4
192.00641	77.9
193.01407	46.4
194.02187	4.2
205.01573	1.7
206.02376	2.6
207.02974	20.8
210.01871	2.6
221.01019	1.0
222.01923	1.7
225.04024	7.7
234.01665	5.8
235.02559	3.8
237.04115	1.1
249.04184	2.6
285.06241	3.8
285.18564	1.1
312.04980	1.6
327.07495	1.3
330.92545	0.8
349.20090	5.8
367.21271	9.7
456.14508	0.9
493.09863	100.0
494.10245	3.1
529.26477	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.1
63.02376	0.5
65.00330	1.2
71.01374	1.4
80.91679	7.9
83.01394	0.9
89.02449	1.3
101.02437	0.7
107.01385	2.5
108.02164	1.2
109.02956	1.8
121.02974	2.4
125.02409	0.8
148.01607	1.3
149.02486	0.7
151.00383	11.4
163.00404	3.6
169.01376	1.2
174.01247	0.6
178.99858	5.5
190.99901	0.6
211.03963	0.7
225.12881	0.9
227.03468	2.4
229.05011	0.7
243.03081	4.9
245.04472	1.4
253.12399	4.3
254.02005	1.0
255.02989	16.8
255.84238	0.6
256.03473	1.0
259.07013	0.7
271.02475	30.1
272.03006	1.7
273.04013	0.8
273.61899	0.5
283.02225	0.6
299.01431	0.6
300.02740	62.1
301.03513	47.0
302.03857	1.7
311.00381	1.0
331.15366	0.5
341.01535	4.9
349.20532	0.8
353.01453	0.8
377.76413	0.6
382.01913	0.9
383.02585	15.7
384.02921	1.3
447.09299	100.0
448.09732	4.4
492.34882	0.6
529.08380	1.8
529.26569	1.0
557.12878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01375	1.7
67.01884	4.0
69.03446	1.0
71.01379	3.0
72.87584	0.3
81.03442	1.1
83.05028	1.2
85.02940	0.8
87.00876	0.5
93.03455	23.2
94.03792	0.5
95.01378	2.6
99.04504	0.4
102.00301	0.2
107.01390	0.4
109.02934	0.8
111.00877	0.9
111.04525	4.1
113.02470	0.5
123.00884	5.8
124.01674	0.5
125.02446	5.8
125.03310	0.5
127.70052	0.3
134.03743	13.6
137.02448	5.1
139.04045	0.3
145.02948	0.8
147.04541	0.4
149.06087	3.8
155.03502	3.2
161.02414	0.6
165.01927	0.3
166.99873	0.7
168.00592	0.5
169.01434	4.4
171.18846	0.3
173.04547	100.0
174.04832	1.2
175.02492	0.3
175.03995	0.5
178.02705	8.2
185.02473	0.3
189.01921	0.6
191.03439	0.4
191.05658	0.9
193.05054	25.3
194.05403	0.6
200.01146	0.3
201.01912	0.8
201.07658	0.4
203.03516	0.6
204.03876	0.3
217.01488	0.5
226.99899	0.3
229.01479	1.3
230.02043	0.3
231.02975	0.7
232.56854	0.3
245.00998	0.7
246.01213	0.3
247.02441	0.5
248.03159	0.3
249.03999	0.5
257.00937	0.9
273.00497	0.9
274.01187	0.9
275.01938	2.9
291.01395	0.4
298.98270	0.4
299.99039	0.9
300.99866	11.6
302.00211	1.0
355.10318	4.1
367.10202	0.9
368.02380	0.3
376.02625	0.5
381.01773	0.6
390.02316	0.8
390.52530	1.0
391.03064	5.2
391.53030	1.3
448.01779	0.6
452.02951	0.6
453.03482	0.3
453.54440	0.4
457.02115	0.4
457.52808	0.5
458.03659	0.3
466.02765	0.6
466.53369	1.0
467.03482	2.6
467.53766	0.6
529.15643	5.3
529.22742	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	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94281	0.3
52.88305	0.3
57.03437	0.7
59.01384	1.3
60.99316	0.7
65.03971	0.3
67.01888	4.9
69.03452	1.3
71.01376	2.7
77.54037	0.2
81.03451	1.0
83.05028	0.7
84.95155	0.3
85.02939	0.8
93.03457	24.8
94.03803	0.3
95.01384	4.7
96.95998	0.4
97.02947	0.5
100.59039	0.3
107.01390	0.7
109.02953	0.6
111.00865	0.9
111.04533	3.6
113.02451	0.6
119.05033	0.3
121.02894	0.3
122.99986	0.4
123.00885	7.9
124.01710	1.6
125.02444	9.1
126.02808	0.3
133.02940	0.9
133.95343	0.3
134.03745	11.4
137.02435	4.5
139.00368	0.6
141.01894	0.3
145.02940	1.0
147.04439	0.6
149.06078	3.7
150.03287	0.3
155.03514	4.5
157.03009	0.4
159.04501	0.3
161.02448	0.5
163.00255	0.4
163.04007	0.7
165.90417	0.2
166.99928	0.8
168.00650	0.6
169.01428	6.2
170.01776	0.4
171.00810	0.3
173.04544	100.0
174.03333	0.4
174.04852	2.1
175.03999	0.6
177.01842	0.4
178.02702	4.3
185.02390	0.8
189.01955	0.8
190.02702	0.6
191.03578	0.5
191.05603	1.5
193.05049	18.8
200.01086	0.6
201.01881	1.3
201.07642	0.4
203.03535	1.0
204.03510	0.3
213.02008	0.4
217.01413	1.0
218.48625	0.3
226.99782	0.5
228.00587	0.5
229.01424	2.8
230.01889	0.4
231.02969	0.9
240.50763	0.3
244.55370	0.3
245.00899	1.5
247.02487	1.0
248.03099	0.4
249.04108	0.8
257.00882	1.8
258.01596	0.6
271.99673	0.4
273.00308	1.0
274.01175	0.7
275.01947	4.4
276.02277	0.7
283.99615	0.9
291.01199	0.5
298.98260	0.3
299.99033	2.1
300.99872	18.1
302.00125	1.6
355.10437	1.9
363.18622	0.3
367.10065	0.4
368.02914	0.4
376.02402	0.5
376.52551	0.3
381.01703	0.4
381.51865	0.4
382.02240	0.4
390.02353	0.7
390.52542	1.4
391.03036	4.6
391.53171	1.1
452.02927	0.4
453.03760	0.6
457.02066	0.6
457.52380	0.4
466.03082	0.5
466.53299	1.0
467.03476	2.4
467.53784	1.1
529.15765	4.5
530.16229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
57.99535	0.7
59.01366	1.7
60.99313	3.3
67.01891	11.3
69.03455	3.6
69.50459	2.4
71.01383	4.0
79.70827	0.7
81.03433	2.2
85.02946	5.7
87.00877	12.6
93.03458	66.9
94.03790	0.9
95.01384	6.3
99.00861	1.3
107.01427	1.6
109.02956	1.0
111.04517	8.4
115.03963	0.8
123.00886	11.6
124.01642	2.6
125.02449	18.1
127.04053	1.4
129.01926	1.4
134.03737	19.1
135.04434	1.0
137.02422	1.2
145.02927	1.1
149.06096	5.2
155.03491	2.3
160.01775	0.8
161.02422	1.1
166.99852	1.6
168.00587	0.8
169.01424	13.8
170.01617	0.8
173.02365	1.9
173.04546	18.4
175.03989	2.3
178.02701	10.4
179.03477	1.2
189.01820	1.2
190.02748	0.9
191.05605	100.0
192.06010	1.2
193.05060	22.2
201.01903	2.4
203.03557	1.1
217.01450	1.6
219.02924	0.8
229.01408	3.0
231.02985	1.9
245.00894	1.6
247.02380	1.1
249.04103	1.2
257.00928	1.6
258.01691	0.9
270.98886	0.8
273.00412	1.6
275.01981	4.7
299.99109	2.7
300.99887	24.7
302.00223	2.2
367.10281	17.1
381.01801	1.2
382.02240	0.9
390.02328	1.6
390.52530	2.5
391.03067	6.1
391.53140	3.0
409.11487	2.1
443.02603	0.8
448.01715	1.1
453.03925	1.6
457.02313	0.7
457.52029	0.8
466.02835	1.0
466.53085	1.9
467.03537	3.9
523.23718	0.9
529.15613	70.7
530.16113	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	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40454	0.1
59.01381	1.0
61.98823	0.5
64.39935	0.1
65.03965	0.7
67.79259	0.1
69.41837	0.6
70.27128	0.1
71.01378	0.4
73.02940	0.7
83.05009	0.2
85.02952	0.2
87.00875	0.2
87.04515	0.3
89.02480	0.2
93.03456	57.4
94.03800	0.7
101.02436	0.6
103.03983	0.2
103.34965	0.1
114.75117	0.1
131.03488	0.3
136.82414	0.1
137.02441	100.0
138.02766	1.3
143.03511	0.3
163.06088	0.4
165.77141	0.1
169.01567	0.2
175.07730	0.1
203.07088	0.2
205.07164	0.2
213.91183	0.2
280.06601	0.1
317.31183	0.2
331.29834	0.2
340.56366	0.2
367.21179	0.2
507.23724	0.2
529.19232	5.5
529.27527	0.3
530.19708	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	530.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35189	0.2
59.01387	0.5
61.98828	100.0
69.25170	0.9
71.01390	0.2
82.95425	0.2
85.59245	0.2
123.00893	0.2
123.24993	0.2
125.02435	0.5
160.01624	0.2
169.01408	0.3
175.04027	0.2
224.70853	0.2
233.15291	0.1
235.06430	0.2
279.49362	0.2
295.08347	0.3
448.63312	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	530.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98829	100.0
63.31279	0.1
66.92410	0.1
69.24934	0.8
71.01391	0.2
82.95419	0.2
89.02469	0.1
95.01392	0.2
96.96016	0.3
101.02438	0.1
123.00914	0.4
125.02434	1.3
152.56961	0.1
156.10670	0.1
160.01685	0.2
166.99902	0.2
169.01424	1.1
173.04593	0.1
177.46051	0.1
184.94554	0.1
193.05028	0.2
205.72148	0.1
235.06194	0.1
265.07318	0.2
295.08273	0.2
299.98984	0.2
300.99954	0.5
315.19669	0.2
336.31046	0.1
467.15479	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	531.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30805	0.2
57.03437	0.3
59.01381	2.5
61.98820	1.1
66.95912	2.1
68.59712	0.2
71.01381	1.2
71.45238	0.3
74.08806	0.3
81.22105	0.2
82.95415	100.0
83.01397	0.3
85.02976	0.5
87.00872	1.0
89.02425	1.5
96.93562	0.3
101.02454	0.8
108.02188	0.3
111.00895	0.3
113.02430	0.5
115.00367	1.8
119.03484	0.8
121.02930	0.4
125.02445	0.8
129.02153	0.3
139.00424	0.4
147.46706	0.3
151.00365	1.0
152.07191	1.2
157.01460	0.5
161.04585	0.4
161.08134	0.3
169.01419	0.8
175.02487	3.4
179.05571	0.3
190.05104	0.6
205.64798	0.3
207.13943	0.4
243.03027	0.3
243.21518	0.3
254.27751	0.3
255.03113	1.0
271.02414	1.8
300.02750	4.8
301.03430	4.4
302.03506	0.9
303.04172	0.7
343.01389	0.4
350.20471	0.5
355.12872	1.0
369.22916	0.6
376.41855	0.3
385.02505	0.9
415.15207	0.8
447.09265	6.6
448.09714	0.7
449.09943	2.6
485.46729	0.3
530.26886	0.7
531.07513	0.8
531.28461	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	531.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60805	1.1
56.51963	0.9
57.03433	2.3
59.01379	7.4
60.99305	16.9
61.98818	1.7
63.19526	1.0
71.01378	2.2
78.91885	19.3
81.03455	1.8
83.01403	1.0
88.98804	100.0
89.02425	2.7
96.95993	4.1
97.02944	1.9
101.02457	1.0
107.01365	1.2
109.02976	5.0
119.03458	1.0
121.05032	1.0
123.00889	3.7
123.04534	3.7
124.01640	3.4
125.02444	53.8
126.02805	1.1
137.02420	4.3
145.02995	1.1
149.02426	2.1
151.03972	2.6
159.04489	1.0
161.06046	2.3
164.01074	1.1
165.01831	2.4
166.99832	1.2
168.00621	2.7
169.01425	95.5
170.01781	2.4
179.03380	2.1
191.05585	1.0
193.01395	3.1
203.07111	3.6
205.01215	0.9
205.05006	1.8
221.08150	1.0
227.07063	1.1
245.08202	6.0
253.05365	1.0
270.13217	1.1
271.02792	1.6
271.06067	5.5
285.04019	1.7
289.07172	38.6
290.07706	1.0
297.03983	1.1
300.02573	2.6
300.99869	1.0
303.05017	2.0
331.04477	2.2
377.08875	1.3
397.09378	1.2
441.08273	45.4
442.08640	1.9
444.21619	0.9
446.62250	1.1
463.08444	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	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06475	0.9
59.01376	100.0
61.98823	2.5
68.07267	1.0
70.34188	0.9
71.01381	5.5
71.24449	0.9
73.02969	1.0
77.44640	0.9
82.95427	1.3
85.02933	2.4
89.02443	7.4
90.84132	1.0
90.91072	1.0
98.21854	1.7
101.02447	4.2
112.03430	0.9
113.02445	4.2
119.03509	3.0
125.02453	1.5
137.64445	0.9
161.04539	1.5
179.05615	2.3
184.05341	2.6
199.07684	5.0
205.65717	1.0
291.19836	2.4
309.20728	3.6
333.20615	3.9
366.25262	1.1
369.22845	1.6
471.25967	20.9
531.32520	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.9808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	64.5
60.01717	0.5
61.72066	0.4
61.98837	0.8
90.97138	0.4
116.70027	0.3
132.98198	1.8
144.13258	0.4
156.99867	0.9
174.99236	35.3
175.99684	0.4
201.02538	0.6
217.00282	100.0
218.00549	1.1
231.01898	0.4
354.13248	0.4
359.01367	1.5
366.91763	0.4
374.99188	74.2
375.99365	1.2
408.93228	0.5
472.97220	0.6
532.97870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05317	0.7
59.01368	4.6
60.99304	9.1
69.43991	3.1
71.01359	2.5
85.02949	1.0
88.98802	56.5
89.02428	2.0
101.02421	0.8
101.61452	0.7
107.01380	2.3
111.00843	0.9
112.07924	0.6
123.00882	2.2
124.01660	9.3
125.02442	20.2
130.47343	0.7
139.00346	1.1
140.01132	0.7
151.00345	1.9
167.20464	0.7
168.00621	11.8
169.01416	33.4
191.05586	3.6
211.02466	58.3
241.03520	3.1
271.04578	100.0
272.04840	2.1
278.36713	0.7
331.06693	33.1
332.07025	1.1
443.11926	51.3
444.12329	2.0
533.12756	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	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.3
59.01383	3.9
61.98819	1.2
71.01389	2.2
71.44778	0.3
75.00874	1.6
78.91895	0.4
85.02943	0.5
89.02463	1.5
91.01883	0.5
96.95979	0.5
101.02449	1.3
106.28946	0.3
108.02168	0.6
113.02446	0.8
119.01380	1.1
119.03506	0.6
121.02981	0.4
123.00894	0.5
124.01626	0.3
125.02424	0.9
133.02916	0.4
134.03680	0.4
136.01619	1.7
138.03198	0.4
147.00887	0.9
149.02449	1.6
151.03941	0.3
151.43510	0.3
160.01651	0.3
161.02434	2.2
162.03212	1.5
163.00362	0.4
163.03955	0.9
164.01154	7.6
164.04753	1.5
165.01859	0.7
166.02707	1.4
166.92639	0.3
169.01416	0.4
175.00378	5.4
177.01907	0.9
178.02725	0.4
178.99855	3.1
179.07150	0.9
180.00584	0.3
181.03336	0.3
189.01924	0.5
190.02724	16.3
191.03465	1.6
192.00644	100.0
193.01367	10.2
194.02190	3.5
197.75888	0.3
205.01566	2.3
205.05051	16.9
205.30223	0.3
206.02274	2.3
206.05707	1.8
207.02979	65.9
208.03307	1.9
209.04457	0.7
221.00909	0.9
221.08176	1.2
222.01645	1.4
223.06152	2.2
234.01683	8.2
235.02357	0.7
237.04037	1.2
247.06184	0.7
249.04044	7.0
250.04607	0.5
253.05228	0.4
265.07114	3.3
276.03000	0.3
294.03363	0.5
309.06149	1.2
312.04886	2.1
325.09250	8.2
327.07227	4.7
335.22266	0.4
337.25903	0.3
353.23175	0.6
371.24286	1.1
420.32840	0.3
489.31119	0.4
518.10571	1.2
533.13037	12.0
533.29803	5.6
534.13440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.8
61.98823	14.6
69.42820	9.0
71.01367	22.8
72.99290	1.8
73.02936	6.1
75.32470	1.7
76.30132	1.9
81.89075	1.9
82.95408	17.3
83.01369	3.3
84.95116	30.8
85.02947	8.3
87.30792	1.8
88.80938	1.7
89.02430	16.2
91.01930	2.3
93.03456	2.0
97.07487	2.0
98.21781	1.9
99.00912	1.8
101.02466	11.0
108.02205	3.0
109.02942	8.0
113.02419	9.6
119.01360	2.2
119.03487	4.8
121.02972	4.5
123.00863	2.0
125.02425	3.8
135.04532	3.1
147.00845	4.5
147.04469	2.0
149.02434	27.5
161.04549	6.1
163.04007	6.5
164.04782	36.9
165.01910	2.7
169.01405	3.9
173.09749	3.7
175.00356	28.3
179.05716	2.3
179.07082	13.0
190.02702	96.6
191.03404	6.8
191.05447	2.2
199.11336	2.8
205.05035	100.0
206.05791	20.0
207.02953	5.6
208.03769	10.7
209.04561	2.4
215.10934	2.2
217.08658	6.7
221.08128	28.5
223.06105	83.6
225.11340	3.0
237.07675	9.6
243.10289	10.6
247.06082	7.7
250.04860	6.7
261.11212	3.7
265.07141	88.3
266.07513	2.3
280.05319	2.2
285.04044	3.6
295.08252	58.8
296.08563	2.4
304.99469	2.3
325.09262	86.3
326.09637	4.5
326.98260	1.9
338.07980	2.4
353.10266	11.8
367.10239	3.5
369.18594	2.6
385.11356	45.0
385.16348	2.3
439.02936	2.5
447.09351	3.4
497.16635	85.0
498.17361	3.4
533.30347	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53300	0.3
52.64142	0.3
57.03476	0.3
59.01373	1.3
63.30070	0.3
67.01880	0.3
69.83448	1.0
71.01377	0.8
80.14618	0.3
83.04980	0.4
85.02944	6.7
87.00879	1.6
93.03447	2.7
109.02958	0.8
111.04517	0.5
127.04008	2.1
131.65129	0.3
136.85522	0.4
155.75983	0.3
173.04533	0.8
190.74194	0.3
191.05605	100.0
192.05930	0.9
342.58936	0.3
392.31021	0.3
402.73993	0.3
457.73746	0.3
477.47641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01369	1.3
62.49371	0.1
67.01873	0.4
69.00443	0.1
69.59749	0.5
71.01376	0.8
73.02930	0.2
81.03446	0.4
83.05031	0.4
85.02945	8.8
87.00878	1.6
88.39249	0.1
90.92015	0.1
93.03456	2.9
99.00932	0.2
99.04512	0.4
106.56876	0.1
109.02949	0.8
110.34236	0.1
111.04518	1.1
127.04001	2.2
137.02425	0.2
171.02974	0.7
173.04544	1.0
179.72386	0.1
191.05597	100.0
192.05951	1.0
290.56796	0.1
493.28217	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	533.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58295	0.4
54.69444	0.4
57.84032	0.5
59.01378	100.0
61.98828	3.6
69.21951	1.3
69.22379	1.3
71.01374	4.3
73.02964	0.9
83.01384	0.6
85.02958	1.1
87.00910	0.7
89.02444	2.9
95.01405	0.6
101.02460	1.7
109.30428	0.4
113.02444	2.0
119.03539	1.2
129.08221	0.5
161.04616	0.6
166.95482	0.4
171.10287	1.0
179.05679	0.8
209.91331	0.6
211.13374	0.6
217.00314	0.6
293.21127	2.2
307.22534	0.5
311.22278	2.4
329.23444	1.4
335.22592	0.6
470.13782	0.5
473.27527	24.2
474.28159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77921	0.5
58.00351	0.6
59.01377	100.0
61.98833	3.7
71.01382	1.9
101.02475	1.1
113.02497	0.7
125.09776	0.8
171.10310	0.7
173.69962	0.6
185.11880	1.7
188.25772	0.6
211.13391	5.6
217.00482	0.5
253.14523	0.6
291.82324	0.6
293.21179	10.9
293.24176	0.9
311.22427	2.4
473.27527	32.2
474.28195	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	533.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03444	0.8
58.00583	0.3
59.01376	18.6
61.98814	1.0
62.53834	0.2
64.40507	0.3
65.81418	0.2
69.03431	0.2
71.01381	9.4
71.05013	0.4
71.44783	0.2
72.99290	0.6
73.02951	2.1
78.51606	0.2
83.01384	1.6
84.95131	0.3
85.02946	3.3
87.00861	0.7
87.04476	0.3
89.02446	5.3
93.07108	0.2
95.01390	0.6
97.06563	0.4
99.00853	0.5
101.02451	5.8
107.12463	0.2
113.02451	2.6
119.03514	1.4
123.08153	0.4
125.02418	0.2
125.09727	2.3
134.60352	0.2
137.09737	0.3
139.11276	0.5
143.10808	0.3
151.11426	0.2
155.10718	0.4
161.04552	0.3
165.09193	0.3
167.10887	0.3
171.10262	5.0
182.70096	0.2
185.11913	1.0
199.13390	0.2
200.10590	0.3
201.33504	0.2
214.12033	0.3
215.12816	0.6
243.15991	0.6
281.17740	0.3
289.84241	0.2
311.21866	0.3
322.03070	0.2
335.22125	0.4
341.23395	1.9
353.23343	5.3
363.34601	0.2
369.22720	0.3
371.24371	12.9
372.24634	0.4
401.25519	0.5
515.28601	1.2
533.29645	100.0
534.29993	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	533.2969
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01871	0.7
55.42448	0.3
57.03447	0.7
57.26007	0.3
59.01379	17.8
61.98828	1.0
69.03448	0.5
69.08675	1.8
71.01380	8.8
72.72872	0.3
73.02944	2.2
77.29619	0.4
83.01386	1.5
85.02942	4.4
87.00870	0.6
87.04468	0.4
89.02447	5.6
95.01386	0.6
99.00871	0.4
101.02444	5.7
113.02453	2.6
113.06087	0.4
119.03494	1.7
123.08178	0.5
125.02426	0.4
125.09745	2.2
137.09782	0.4
139.11320	0.7
141.09224	0.5
141.12839	0.3
150.86305	0.3
171.10274	4.3
185.06314	0.3
185.11809	1.0
199.84093	0.3
200.10468	0.5
211.63817	0.3
215.12923	0.9
281.17514	0.4
311.22296	0.5
323.22397	0.4
327.86325	0.3
341.23349	2.2
353.23370	4.9
369.22992	0.4
371.24365	13.4
401.25839	0.5
511.64017	0.4
515.28571	1.4
533.29663	100.0
534.29932	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	534.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	43.5
61.98830	10.3
67.66998	1.6
70.72052	2.6
71.01382	26.5
72.99362	1.9
73.02953	1.9
78.95866	1.9
79.95725	2.5
85.02947	4.5
87.26711	1.8
89.02443	47.7
94.98078	7.5
95.97636	2.3
96.00962	1.7
96.96006	75.9
96.96969	4.0
101.02431	6.4
102.24241	1.8
112.47517	1.7
113.02442	5.2
115.02193	1.6
117.03498	1.9
119.03467	4.7
122.43601	1.6
125.02438	3.2
131.03497	7.0
133.06604	1.8
133.96585	1.7
136.11797	1.7
140.46519	1.8
142.83920	1.7
145.02922	3.2
149.04559	15.5
201.74965	1.7
215.15453	1.6
226.33635	1.8
238.06483	2.3
239.10657	2.4
255.10242	5.3
265.07187	2.0
283.09732	20.4
285.04031	2.3
294.09052	2.3
295.09781	2.7
298.11981	5.4
311.09277	57.5
311.12802	2.8
325.10526	5.3
326.11578	47.0
332.07907	2.1
341.13904	100.0
342.14206	4.1
355.24625	4.2
388.03348	3.4
431.09473	2.3
534.30151	10.8
535.31305	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	535.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
62.28635	0.2
71.01379	0.8
75.00883	0.3
78.95908	2.4
79.95740	3.1
85.02973	0.5
89.02464	0.4
95.01362	0.6
95.27226	0.2
95.98159	0.2
96.96011	100.0
96.96895	3.4
101.02428	0.5
107.01366	0.5
108.02163	1.5
109.02957	0.9
110.00112	0.7
116.92870	0.4
119.03498	0.5
123.00905	0.8
124.01668	0.6
125.02433	1.0
127.75100	0.2
139.04036	0.7
168.00600	0.8
169.01410	1.2
179.97289	0.3
183.02928	1.8
191.05606	1.5
195.96800	0.5
211.96284	0.4
216.21846	0.2
221.98511	1.3
237.00723	0.4
250.90257	0.3
265.97421	0.7
266.98175	0.6
280.99902	0.8
300.99960	0.5
327.07138	0.6
437.10892	3.8
475.06226	0.5
493.06400	1.0
494.86624	0.3
520.05396	2.5
535.07672	8.6
537.05133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.1
59.01371	1.6
69.23119	2.7
69.23520	6.0
71.01376	2.9
80.99819	2.2
83.01353	2.7
85.02955	4.3
93.03410	1.9
95.01361	2.7
96.95998	10.4
99.00877	7.2
100.18967	1.4
109.02976	8.6
111.00932	1.4
113.02448	1.8
115.00352	3.8
121.06574	4.5
123.00871	2.8
125.02428	4.3
133.02930	3.2
135.04497	7.2
145.02939	3.1
145.55429	1.3
147.04506	4.3
148.05280	5.1
149.06070	100.0
152.80341	1.4
159.04492	1.5
161.02432	9.6
161.06117	2.6
163.04015	6.5
165.05554	4.5
169.01401	3.6
170.42111	1.3
171.04443	2.1
174.03247	2.3
175.03975	17.8
177.01945	11.7
179.03514	1.3
187.04015	3.6
187.07542	1.6
188.04636	1.5
189.05473	3.9
191.03543	2.5
191.05574	15.8
192.04253	1.4
193.05020	15.9
194.05405	1.2
199.04143	2.1
203.03395	1.2
205.05038	2.1
206.02124	2.3
219.02962	38.4
229.01582	1.4
231.06575	3.0
233.04559	15.9
237.04019	57.9
245.01498	1.6
245.04539	1.2
252.08167	1.3
255.02829	1.8
257.01080	1.8
259.02408	2.9
273.04111	2.3
275.02014	4.1
275.05585	2.9
277.03506	5.0
281.00888	3.4
293.06625	4.0
298.98767	1.2
299.01920	8.7
300.99850	9.3
317.02972	2.3
319.04465	6.5
337.05627	87.9
338.05936	2.2
381.08197	7.1
381.29007	1.4
392.96948	2.0
399.09329	5.9
439.08707	3.6
481.09888	17.2
491.08292	3.1
499.10922	68.1
500.10895	3.7
535.08484	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	535.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37770	0.7
59.01376	9.2
61.98823	3.3
71.01024	0.8
71.01365	3.6
78.95899	8.3
79.95721	4.0
85.02945	1.5
85.18235	0.7
87.56236	0.7
89.02448	2.8
96.96010	100.0
96.96928	17.2
101.02423	3.2
113.02477	1.9
119.03509	1.7
125.02430	1.1
143.03474	0.9
145.02965	1.0
167.10768	2.1
246.31163	0.8
313.23944	1.4
329.23053	0.8
330.10632	0.8
355.24933	3.4
373.25903	1.6
416.02264	0.8
535.20782	2.1
535.31091	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	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03449	0.5
58.00593	0.6
59.01378	74.2
59.98526	0.7
61.98832	0.9
69.03452	1.9
70.81190	0.5
71.01380	20.5
72.99320	0.8
73.02943	15.8
79.42333	0.6
81.03456	2.0
83.01398	1.9
85.02943	8.3
87.00845	2.9
87.04513	1.2
87.67425	0.5
89.02440	19.0
95.01361	0.6
97.02940	4.2
98.03736	1.4
99.00902	0.6
99.04527	2.3
101.02441	25.0
103.04014	18.6
103.04710	0.6
104.04308	0.7
108.02214	0.5
109.02956	1.4
113.02453	1.8
115.04043	2.3
119.03512	9.5
125.02438	17.8
127.04015	1.5
131.03481	2.4
143.03497	3.8
145.05098	4.3
149.09718	0.6
161.04562	0.8
163.06122	30.0
167.10767	100.0
168.11118	2.8
191.53242	0.6
205.07161	5.4
238.70775	0.5
247.08199	4.1
269.04568	0.5
289.09293	1.2
307.10349	20.3
325.11237	0.5
326.88577	0.6
335.24799	0.5
355.24637	1.5
475.21701	3.4
535.31201	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03444	0.6
59.01378	25.6
61.98827	1.5
69.02688	0.4
69.11322	2.5
71.01380	9.7
72.99319	0.7
73.02942	2.9
83.01389	1.6
85.02952	3.6
86.64491	0.4
87.00867	0.7
89.02454	3.7
93.01381	0.4
93.03466	0.9
95.01376	1.0
99.00896	0.9
101.02443	6.8
103.03974	0.4
113.02457	3.3
116.92880	0.4
119.03497	1.5
121.02946	1.0
125.02444	0.9
133.00107	0.4
137.39467	0.4
139.11266	0.6
161.04608	0.9
169.01399	0.4
185.11807	3.1
215.12863	1.9
227.07173	1.3
242.05580	0.4
274.69202	0.5
277.21698	0.6
327.21924	0.5
341.64017	0.5
355.20886	0.5
355.24872	4.7
373.25925	10.7
374.26303	0.5
439.26929	0.6
457.28247	1.3
475.28943	0.6
517.30231	0.9
535.31232	100.0
536.31482	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03439	1.1
59.01376	13.9
61.98815	0.3
69.03430	0.2
71.01379	7.3
72.99277	0.2
73.02940	1.5
83.01388	1.1
85.02940	3.0
87.00867	0.6
89.02444	4.1
94.49794	0.2
95.01394	0.6
99.00912	0.5
101.02441	5.3
111.00891	0.2
111.76920	0.2
112.02516	0.2
113.02434	2.5
119.03482	1.1
123.08150	0.4
125.02435	0.3
125.09709	1.4
127.11289	0.5
137.09708	0.5
141.09181	0.3
143.10773	0.4
153.09221	0.2
155.10768	0.6
167.03442	0.2
167.10793	0.3
171.10260	4.1
185.11743	0.2
199.13370	0.7
201.15016	0.2
229.14427	0.3
327.21622	0.5
337.23801	0.2
355.24872	4.4
371.23965	0.3
373.25922	13.4
374.26187	0.7
392.20432	0.4
415.26944	0.2
517.30322	1.9
533.29260	0.2
535.31213	100.0
536.31580	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	536.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32583	0.6
59.01384	6.9
61.98824	5.7
71.01363	2.5
73.02926	0.7
80.05053	9.2
81.65642	0.6
82.95408	0.8
85.02940	0.7
89.02440	2.1
94.06622	3.1
96.22407	0.6
101.02427	1.5
104.05060	4.0
106.06638	3.6
107.03791	4.1
108.02168	0.7
108.04546	3.8
108.08220	1.0
109.02984	0.7
113.79738	0.9
116.90190	0.7
120.04523	1.1
121.05334	1.2
122.06118	22.5
122.38834	0.7
123.00864	0.8
124.01677	1.1
124.07635	0.9
125.02390	1.4
130.06586	1.9
132.04524	0.9
134.06125	13.5
136.07692	4.3
139.02852	0.8
146.06081	3.1
147.03212	0.9
148.04033	2.0
150.05597	1.1
152.07172	54.6
153.07483	0.6
160.04012	2.3
160.07727	0.8
162.05553	0.8
173.04776	1.4
174.05496	3.3
180.06657	7.8
186.05580	1.6
188.07170	24.2
189.07446	1.0
190.04967	1.0
210.07951	1.6
211.08792	5.2
213.10291	0.8
223.08766	1.6
223.12369	0.9
224.09500	1.5
225.10310	6.0
226.11082	2.2
227.11879	7.1
235.08844	1.0
236.09610	1.0
237.10321	2.3
238.07475	2.4
239.08145	0.8
239.11778	2.0
245.04785	0.7
245.12949	5.3
246.04854	1.1
249.10219	2.5
251.08208	2.4
251.11824	3.3
252.08919	3.1
253.09813	15.5
254.10280	0.8
261.10507	1.0
263.08151	1.0
264.08966	2.1
265.09723	4.8
266.10693	1.5
267.11322	7.1
269.13004	0.9
277.09772	3.4
278.10547	1.3
279.07748	4.1
279.11319	3.3
280.08652	1.1
292.08475	1.7
293.09344	4.2
294.10114	4.2
295.10846	42.1
296.11215	1.4
306.09573	0.8
307.10858	16.5
308.11298	0.8
313.11884	2.2
321.08722	1.1
323.10379	3.0
335.19724	0.7
339.09656	1.7
339.13470	0.7
351.09641	0.8
373.25439	1.2
374.25967	1.1
390.18359	0.9
392.19907	1.5
404.15887	0.8
416.15997	0.8
418.17334	1.5
432.19519	3.6
436.18570	1.0
442.17664	0.9
458.17172	0.9
460.18756	80.6
461.18918	3.9
463.17621	0.9
476.18497	3.0
486.16577	1.5
499.12360	1.0
500.12750	2.3
504.17761	100.0
505.18106	6.1
535.31226	3.9
536.20459	18.8
536.31573	5.5
537.32770	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	536.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98828	100.0
66.12256	0.5
69.23444	0.9
69.23851	2.3
83.15085	0.6
89.96329	0.5
93.35686	0.6
275.19836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10301	0.5
59.01365	1.0
60.99305	17.4
71.01380	0.7
71.44504	0.5
83.01346	0.5
88.98802	100.0
98.83443	0.6
107.01379	1.5
108.02144	0.9
109.02972	1.0
121.02963	1.4
124.01608	0.9
125.02408	1.2
134.80849	0.5
151.00380	6.5
163.00363	1.5
169.01430	1.6
178.99831	3.5
211.03772	0.7
226.02565	0.7
227.03481	1.0
229.04974	0.8
235.65697	0.6
243.02953	3.2
245.04614	1.0
254.02045	0.7
255.02982	9.2
256.03308	0.6
271.02460	15.6
272.02985	0.7
273.04092	1.0
283.02420	1.1
300.02728	41.8
301.03488	27.2
302.03821	0.6
447.09290	67.3
448.09476	3.9
473.46152	0.5
537.19781	6.1
537.32495	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	537.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
59.01378	53.0
60.99303	15.5
61.98832	5.8
63.02394	0.8
63.96195	0.8
69.03439	1.9
71.01381	16.5
72.99322	1.4
73.02941	14.5
75.00907	0.8
82.95439	0.7
83.01392	2.6
85.02952	8.0
87.00888	4.6
87.04489	1.3
88.98805	99.9
89.02441	16.9
95.01366	2.1
96.96037	2.2
97.02997	1.3
99.00883	0.9
101.02441	28.3
102.98606	0.8
103.04014	9.3
107.01389	3.4
108.02197	1.0
109.02969	1.1
111.00909	1.1
113.02454	3.4
115.04043	5.2
119.03503	6.8
123.00886	3.6
124.01690	1.6
125.02453	15.1
127.03947	1.1
131.03499	5.6
133.01430	1.0
133.02963	1.7
135.04561	1.0
135.98361	1.1
136.99106	0.9
143.03513	7.3
144.12332	0.8
145.05075	3.0
149.02451	1.3
151.00389	3.8
160.74556	0.7
161.02477	1.0
163.06122	41.1
168.00626	2.4
169.01427	14.8
175.03990	1.4
179.05554	1.4
183.10268	0.9
187.46181	0.8
191.05592	1.7
194.59238	0.7
199.03969	1.6
205.05208	1.3
205.07164	12.6
211.02327	1.0
243.03004	0.9
256.03806	2.4
265.09290	4.2
271.04584	1.5
283.04892	1.0
284.03247	39.8
285.04034	90.2
286.04431	4.0
300.99911	1.2
331.06592	3.4
331.17758	2.0
382.02545	0.9
417.21231	1.1
447.09311	100.0
448.09790	5.8
477.23401	18.4
493.17465	1.6
537.12213	1.2
537.20569	7.8
537.40088	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	537.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87482	0.7
55.77719	0.9
58.40777	0.8
59.01369	2.9
67.01875	1.3
68.99571	2.6
71.01376	2.5
85.02946	8.8
87.00871	1.8
93.03455	14.9
96.96016	1.2
108.02167	1.4
109.02924	1.8
111.04497	2.8
112.98642	1.5
121.38019	0.7
123.00882	1.8
124.01627	1.6
125.02415	1.5
127.04011	0.9
134.03702	1.2
135.04518	38.9
137.02437	3.6
140.01192	0.9
148.50150	0.8
151.20616	0.8
155.03482	2.7
161.02422	2.5
169.01399	2.9
173.04552	57.3
179.03493	35.8
183.02966	8.2
191.05618	100.0
192.05966	1.7
198.53621	0.7
200.58676	0.7
247.01881	1.6
275.01404	1.9
276.02313	1.2
279.00861	0.9
282.96664	1.9
313.05579	1.2
321.01880	1.8
325.25195	1.0
353.08755	50.9
354.09180	1.3
423.09271	7.8
448.05862	0.8
465.06207	4.6
495.01913	1.7
537.04089	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	537.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
59.01379	25.7
61.98812	4.6
62.30542	1.5
65.59412	2.0
69.17483	6.0
69.17886	3.6
71.01377	11.3
73.02916	1.8
78.61163	2.0
82.95386	2.4
85.02930	2.8
89.02444	9.4
101.02439	9.2
109.02937	3.6
113.02447	5.6
119.03519	2.7
125.02457	4.0
137.02460	1.7
149.04539	3.7
162.17906	1.8
169.01382	2.0
193.06604	2.7
200.22672	1.8
271.19241	2.0
283.15436	3.9
323.89172	1.9
357.26303	5.9
375.27554	12.0
536.31042	5.6
537.21057	43.3
537.32666	100.0
538.33160	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	537.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23057	1.2
57.03436	2.0
59.01379	30.6
60.99301	7.0
61.98831	7.9
67.01839	1.2
67.59602	1.5
69.03442	2.3
69.18513	6.7
71.01382	15.6
72.99327	1.6
73.02945	5.8
83.01372	2.7
85.02950	6.1
87.00890	1.4
88.06993	1.2
88.98796	46.6
89.02435	8.7
89.02906	1.5
95.01366	2.3
96.96016	2.7
97.02927	2.7
97.21106	1.1
98.95557	1.5
99.00873	1.8
99.92591	1.3
101.02450	10.7
107.01378	2.0
107.47001	1.3
108.02162	2.3
109.02929	5.0
109.70199	1.1
111.00831	1.2
113.02440	6.0
116.92816	1.8
119.03459	2.3
123.00886	7.0
124.01652	11.9
125.02446	31.0
135.04529	2.4
139.00371	2.5
145.32314	1.2
146.03229	1.3
149.02444	1.9
149.04463	1.5
149.99565	15.5
151.00345	4.7
161.02452	2.1
161.04552	4.1
164.04750	1.4
164.98216	1.2
167.99355	1.8
168.00645	23.1
169.01424	23.9
175.00217	1.2
185.11780	1.2
190.02730	2.8
191.03555	1.1
191.05591	1.2
191.33162	1.2
195.78732	1.4
199.21001	1.2
205.04996	3.1
229.04945	1.9
255.03062	1.6
300.02692	6.1
301.03455	3.9
313.05554	2.5
331.06561	6.1
331.17477	2.9
357.26434	5.6
373.25797	1.3
375.20175	1.5
375.27490	13.6
422.08310	3.4
447.08966	8.3
461.18997	1.8
477.23581	9.1
505.17807	2.9
519.31775	1.8
536.30981	1.4
537.12317	34.3
537.20386	31.2
537.32666	100.0
538.12817	2.4
538.20294	1.6
538.32947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38857	3.9
59.01081	5.9
59.01376	100.0
68.62332	4.3
71.01379	35.8
72.16844	3.7
72.99313	6.8
73.02925	29.2
74.99118	11.2
75.31857	4.1
85.02951	12.5
87.00854	10.2
87.04509	4.9
88.98800	5.0
89.02442	52.4
97.02941	4.2
98.21844	8.4
101.02436	64.2
103.03994	15.5
113.02482	8.2
115.03973	10.0
117.97285	7.5
119.03504	12.0
123.00858	7.3
124.01659	4.6
125.02448	14.3
131.03519	9.8
135.98392	3.5
136.99152	5.4
143.03531	9.1
145.05075	9.2
149.04578	11.9
161.04625	5.7
163.06119	56.5
169.01445	15.3
205.07149	16.8
211.02524	6.0
265.09299	5.6
271.46860	4.0
331.16971	4.4
417.21341	7.7
477.23096	8.2
528.03235	4.9
537.12659	10.4
537.20807	99.7
537.32916	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	537.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94225	0.7
55.01865	1.1
55.08592	0.9
57.03448	2.5
58.00582	1.9
59.01378	100.0
68.52662	0.8
69.03457	3.0
69.68002	1.4
69.68369	1.9
71.01382	37.5
72.99309	1.9
73.02945	29.8
75.00897	2.3
81.03472	0.8
83.01399	5.8
85.02938	15.8
87.00883	6.7
87.04514	2.6
88.98794	1.1
89.02444	37.0
93.03460	3.7
95.01392	3.3
97.02966	1.2
97.59734	1.0
98.22652	1.1
99.00878	1.8
101.02444	57.7
103.04010	17.9
105.01945	1.2
107.01435	2.2
109.02967	1.8
111.00893	1.2
111.04528	0.9
113.02456	11.6
115.04009	8.3
119.03506	15.2
120.99655	4.1
121.02971	1.3
122.11139	1.0
123.00888	4.8
124.01687	3.5
125.02457	10.7
131.03502	10.8
137.02441	2.8
137.42238	0.8
141.65540	0.9
143.03493	11.9
145.05042	7.3
149.04573	5.2
149.05821	0.7
151.03957	1.1
155.03557	1.2
161.04546	2.7
163.06120	83.4
164.06439	1.4
166.99982	0.9
168.00618	2.9
169.01410	14.0
173.04553	12.4
179.05592	2.6
181.12401	1.0
183.02992	2.8
183.10265	1.2
191.05586	2.1
195.13710	1.1
197.04631	1.6
201.11301	0.8
205.07175	26.0
211.02464	6.8
225.11386	1.2
235.08212	1.6
243.12352	1.5
245.00822	1.1
245.85040	0.9
265.09277	10.5
271.04562	16.9
273.00354	1.5
300.99939	2.2
325.11572	1.9
331.06677	5.2
331.17599	2.7
336.32770	0.9
357.08719	0.9
371.10190	4.0
375.20215	2.1
405.21436	2.2
445.68170	1.0
477.23428	18.6
478.24069	1.2
493.17160	1.7
537.19519	1.9
537.26056	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	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48788	1.4
56.38285	1.4
59.01379	100.0
63.04457	1.3
71.01381	34.9
72.99312	3.5
73.02950	25.5
83.01377	5.8
83.04960	1.5
85.02945	12.9
86.00029	1.4
87.00894	7.6
87.04499	2.0
88.98797	5.2
89.01971	1.5
89.02446	38.0
93.03454	4.8
95.01397	2.5
99.00867	2.1
99.04514	1.5
101.02444	55.0
103.00365	2.1
103.04007	14.5
107.01397	2.1
109.02956	1.6
111.04549	1.7
113.02453	10.3
115.03997	8.9
119.03513	14.4
120.99651	4.1
121.02938	2.3
123.00888	3.4
124.01668	2.9
125.02447	12.6
127.04082	1.7
131.03500	10.0
137.02431	3.9
143.03505	10.8
145.05077	5.4
149.04575	6.6
151.04036	1.6
155.03503	2.8
161.04521	3.8
163.06125	84.0
164.06395	2.0
165.65950	1.5
168.00636	1.9
169.01463	9.5
173.04590	13.9
179.05579	2.2
183.02980	5.6
183.10248	1.5
191.05647	4.1
195.13916	1.7
197.04497	1.8
205.07164	22.4
211.02455	5.5
265.09280	11.0
269.79785	1.5
271.04535	12.3
273.00369	3.6
300.99789	3.4
325.11139	2.0
371.09735	2.6
375.20248	2.5
423.09457	1.9
477.23410	22.8
537.18701	2.5
537.25378	5.8
537.32544	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03436	0.4
58.00587	0.6
58.16920	0.3
59.01376	54.0
61.98825	3.4
69.03454	2.2
69.19473	0.7
69.19878	1.2
71.01376	16.9
71.04993	0.4
72.32234	0.3
72.99306	1.4
73.02942	14.7
81.03455	1.1
83.01402	1.3
85.02944	7.6
86.00079	0.6
87.00882	2.6
87.04503	1.1
89.02441	13.4
91.42036	0.3
95.01389	0.5
97.02950	2.7
99.00880	0.7
99.04477	0.5
101.02441	22.4
103.04006	17.0
108.02164	0.5
109.02935	1.0
113.02445	0.8
115.03992	2.7
119.03504	7.7
124.01623	0.4
125.02442	16.6
127.04012	1.8
131.03517	1.9
143.03506	3.6
145.05061	3.6
148.08994	0.3
151.11243	1.0
158.08217	0.3
163.06117	26.0
169.12332	100.0
170.12651	1.3
205.07146	5.5
211.13330	0.6
213.01784	0.5
240.13309	0.4
247.08200	3.8
289.09253	1.0
307.10327	16.4
308.10706	0.4
336.19415	0.3
345.04077	0.4
361.03299	1.1
362.04135	0.3
391.04584	2.3
423.77643	0.4
477.23318	4.7
537.10211	1.0
537.31555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.328
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.12324	0.1
51.86733	0.2
55.01868	0.6
55.56220	0.2
57.03450	0.7
58.00598	0.3
59.01376	15.6
61.98825	1.8
69.38513	0.7
71.01379	7.5
72.99282	0.2
73.02946	1.1
81.45214	0.1
83.01395	1.3
85.02952	2.8
85.77921	0.2
87.00845	0.7
87.04503	0.2
89.02441	4.4
93.03440	0.2
95.01385	0.8
97.02927	0.2
97.06577	0.2
97.21820	0.2
99.00867	0.4
101.02441	4.8
106.31120	0.1
109.02913	0.2
109.06588	0.2
111.00875	0.4
113.02445	2.3
119.03493	1.3
123.00873	0.2
123.08146	0.3
124.01569	0.2
125.02453	0.7
125.09697	0.2
127.11198	0.2
137.02446	0.2
139.11285	0.3
141.12790	0.2
143.10793	0.2
145.61266	0.1
152.07161	0.5
153.07526	0.3
155.10786	0.2
157.12340	0.6
169.01450	0.4
169.12341	0.3
171.10274	0.4
177.01726	0.1
185.11818	0.6
188.07181	0.3
201.11363	0.2
215.12881	0.4
295.10706	0.3
296.11221	0.3
309.23975	0.2
311.22305	0.2
327.25534	0.4
329.23325	1.4
339.25446	0.6
343.25278	0.2
355.24841	0.5
357.26447	6.2
358.26559	0.3
373.25912	0.9
375.27484	15.5
376.27863	0.7
389.29007	0.2
417.28479	0.2
461.18982	1.3
501.84491	0.1
505.18124	1.6
519.31561	1.9
537.32758	100.0
538.33160	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	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.34383	0.3
57.03433	1.1
58.00590	0.4
59.01377	14.2
60.83673	0.3
61.98829	10.4
62.70285	0.3
71.01380	8.9
73.02943	5.2
74.46378	0.3
83.01379	1.0
85.02941	3.1
87.00881	0.7
87.04478	0.3
88.98795	1.4
89.02443	4.0
95.01390	0.6
97.06594	0.6
98.21802	0.8
99.00869	0.8
101.02441	5.8
103.74266	0.4
103.86263	0.3
108.02158	0.4
109.06606	0.3
113.02457	2.7
119.03484	0.9
124.01688	0.4
125.02435	0.7
125.09687	0.8
127.11206	0.4
137.09634	0.3
139.04042	0.4
143.03340	0.4
143.10773	0.5
161.04541	0.8
168.00615	0.7
169.01411	0.7
169.12270	0.4
171.10272	1.4
179.10751	0.4
183.02992	1.8
198.06119	0.3
201.11267	0.7
288.71088	0.3
297.12372	0.3
301.03265	0.4
302.79523	0.3
329.23187	0.7
339.25500	0.4
345.19165	2.1
357.26437	5.1
373.25812	1.0
375.27502	20.8
376.28027	0.7
417.28989	0.3
447.09598	0.5
477.23459	2.9
477.29895	0.6
477.51596	0.4
519.31921	2.6
537.32770	100.0
538.20544	0.4
538.33099	5.7
540.97156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30648	1.3
57.10055	1.5
71.11652	1.9
78.95902	15.8
86.90455	1.4
89.38609	1.4
94.43279	1.2
107.74154	1.3
133.13765	1.4
152.99594	4.3
157.10320	1.2
205.07875	1.4
224.07005	6.2
255.23283	100.0
256.23596	2.7
480.30927	76.5
481.31479	3.9
537.32715	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	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01382	0.7
61.98827	100.0
62.61943	0.2
71.01399	0.5
73.02945	2.7
75.00845	0.2
85.02960	0.5
87.04511	0.5
89.02415	0.3
94.08286	0.2
97.02972	0.2
101.02451	0.3
108.02180	1.1
109.02966	3.6
110.03288	0.8
120.06564	0.2
121.34420	0.2
121.77619	0.2
125.02502	0.3
133.06616	0.2
161.54552	0.2
165.12845	0.4
166.13168	0.3
167.10826	0.3
168.11119	0.2
192.11148	0.2
199.40387	0.2
209.11774	0.9
210.12222	0.8
242.58553	0.2
283.15375	0.2
376.22232	0.3
512.22852	0.2
537.23639	0.3
537.32770	0.3
538.23773	5.7
538.32642	0.6
539.08081	0.2
539.24487	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	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32719	0.2
59.01388	0.5
61.98828	100.0
69.21085	0.6
69.21487	0.5
73.02953	0.3
75.67163	0.2
98.21886	0.5
101.02457	0.2
125.02472	0.5
142.26607	0.2
167.10799	0.4
169.01500	0.4
387.14615	0.3
464.79852	0.2
483.72144	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	538.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86174	58.4
61.98779	69.3
65.14388	56.5
68.25729	61.4
103.74735	56.6
211.13368	100.0
339.59802	54.7
461.20871	61.7
535.01642	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
56.60278	1.3
57.03442	7.6
59.01377	18.4
61.98818	2.7
65.51749	1.2
69.03455	2.8
69.67966	1.1
71.01381	34.2
71.05015	18.7
72.99308	1.4
73.02949	13.0
75.00865	1.7
81.03481	2.1
83.01386	4.1
83.05042	1.7
85.02941	17.6
85.06573	6.5
87.00871	2.6
87.04512	65.1
88.98811	2.7
89.02438	5.0
95.01366	6.4
95.05041	3.3
97.02945	2.7
99.00880	4.2
101.01798	1.5
101.02451	23.8
101.06075	6.9
102.02777	1.4
103.07668	1.7
107.05028	1.5
108.02174	83.8
109.02956	71.5
113.02448	22.5
113.06065	6.1
117.97246	1.5
121.02943	2.7
123.00874	5.1
123.04507	4.1
124.01650	1.7
125.02430	8.4
133.02971	1.6
135.04466	1.2
135.08160	3.3
135.11809	13.6
137.09720	9.8
143.03473	3.5
147.11806	3.4
149.06009	1.3
151.00331	1.9
151.03979	4.9
152.01175	3.2
153.01917	1.6
153.09142	6.6
153.12868	6.9
153.13939	1.2
155.10776	1.3
159.02972	3.8
161.04564	43.7
161.09689	6.4
163.04028	3.1
165.12820	4.7
166.99799	1.4
168.00708	1.2
169.01427	5.6
173.09552	1.3
173.46208	1.3
177.01982	1.5
177.05530	1.1
177.09164	1.8
179.10693	5.4
187.14911	4.6
188.03491	1.2
191.10661	1.5
205.15961	2.8
211.02449	3.2
223.17055	1.8
237.27510	1.3
241.18080	22.6
249.14891	3.0
250.97296	1.4
267.15973	14.5
267.36740	1.2
271.04663	4.1
271.08212	42.6
285.17065	100.0
286.17410	1.7
309.17068	3.4
333.19241	1.9
371.13403	1.3
377.28082	2.0
429.21246	2.9
479.25031	3.9
538.32959	4.8
539.20581	20.7
539.32990	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	540.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98828	100.0
71.01393	0.5
71.45113	0.3
73.02934	0.3
83.01402	0.3
85.02974	0.3
86.03318	0.3
89.02480	0.4
101.02503	0.4
107.03778	0.5
108.02155	0.6
108.81734	0.2
109.02966	0.9
122.06105	1.7
123.00889	0.2
125.02456	1.3
138.05624	0.7
151.04030	0.4
152.07175	5.1
160.04057	1.2
161.04593	0.5
165.01950	0.4
169.01454	1.3
177.01913	0.5
190.05139	0.6
192.00583	0.4
192.06667	3.1
212.10875	0.2
240.09113	0.5
255.11458	1.0
270.33566	0.2
271.08417	0.3
325.11957	1.8
355.13089	0.3
357.14532	2.4
420.19376	1.0
446.16571	0.4
453.63086	0.2
464.18597	0.8
477.14001	0.6
508.17755	0.8
522.19324	0.6
540.06439	0.3
540.20959	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	540.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98829	100.0
63.55533	0.1
68.86001	0.1
70.97800	0.2
71.01404	0.3
73.02945	0.1
79.34859	0.1
83.97906	0.1
85.02972	0.2
101.02426	0.1
109.02955	0.1
169.12354	0.2
246.81790	0.1
290.62750	0.1
540.33026	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	540.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01036	2.2
52.31779	2.1
55.98542	2.1
57.43110	2.1
59.01369	8.2
61.98829	20.6
69.50214	3.3
69.50611	5.9
73.66333	1.9
83.73855	2.5
97.72890	2.3
108.38351	1.9
109.02925	2.4
125.02371	3.1
160.85567	2.2
161.04562	2.8
169.01427	3.2
204.05106	4.4
257.00781	3.7
287.18509	4.3
331.32990	2.3
333.03711	2.5
334.04257	3.0
335.22263	100.0
336.22623	3.6
361.03293	7.2
362.03860	16.3
377.02985	7.8
378.03268	15.9
406.03134	6.9
407.03671	36.3
408.04495	21.3
475.72812	2.2
497.27478	5.6
540.08545	31.8
540.27423	23.3
541.09332	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	541.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.03030	0.1
69.31612	0.6
71.01374	0.2
79.95733	2.5
89.02459	0.3
95.01402	0.1
96.96008	100.0
97.95958	0.2
98.21770	0.2
101.02454	0.1
113.02457	0.2
116.92827	0.4
123.00916	0.5
124.01669	0.2
125.02457	1.3
143.07135	0.2
143.95607	0.1
155.10791	0.2
160.77803	0.1
168.00658	0.4
169.01408	2.1
211.02435	1.7
211.04257	0.2
217.10811	0.4
271.04575	2.8
272.04822	0.2
300.99927	0.5
331.06662	0.8
443.11737	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	541.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
61.98829	3.2
70.67857	1.3
71.01379	10.2
71.57510	0.8
73.02944	3.8
83.01383	1.4
85.02964	8.1
88.98825	1.3
93.03456	37.4
95.01385	2.4
99.00914	1.1
101.02431	7.1
106.04237	5.7
107.05070	1.1
108.02174	31.8
108.02907	1.8
109.02953	43.6
113.02437	4.6
116.92840	1.2
119.05036	1.1
121.02961	2.4
123.00861	1.0
123.04519	1.7
125.02437	2.5
131.05063	5.6
133.02954	1.5
134.03735	62.0
136.01680	2.9
137.02446	52.5
148.05298	24.2
149.06079	60.9
150.06424	1.3
151.04053	3.4
158.38266	0.9
161.04602	1.7
165.05550	2.0
179.03499	1.3
182.07390	1.7
183.08179	6.8
191.03526	1.6
192.00655	1.0
193.05066	2.6
207.08235	1.6
209.70396	0.9
210.06795	2.8
225.09184	11.5
227.07069	1.6
269.08176	100.0
270.08493	3.4
281.06644	28.9
283.09756	1.2
287.18710	1.8
311.09244	17.1
325.10672	1.5
329.10077	1.2
353.10269	13.3
391.10324	59.6
392.10718	2.1
413.12338	13.0
419.13522	2.5
447.13153	1.7
479.08267	1.3
523.16156	28.5
524.16132	1.7
541.16901	1.2
541.24561	1.0
541.33783	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03432	0.7
57.97209	0.6
59.01378	3.8
61.98342	0.6
61.98834	2.8
68.99820	0.7
69.42632	3.1
70.54841	0.6
71.01378	8.4
73.02946	3.4
81.03458	1.0
83.01380	1.3
85.02951	5.4
87.00858	0.6
92.02705	2.7
93.03457	38.9
95.01398	2.8
96.99339	1.4
98.21882	1.2
99.00880	1.1
101.02445	8.5
106.04248	5.6
107.05045	1.3
108.02172	35.0
109.02956	44.8
113.02454	4.5
119.05037	1.2
121.02961	2.5
121.06549	1.5
123.00884	1.2
123.04536	4.3
125.02512	1.5
130.59073	0.6
131.05009	5.6
134.03740	73.3
136.01660	3.7
137.02443	55.3
147.04524	1.3
148.05299	17.9
149.06081	81.8
149.40997	0.7
150.06442	1.4
151.03992	4.0
161.04570	0.9
163.03926	0.8
165.05598	3.2
179.03500	5.9
181.06746	0.5
182.07379	2.2
183.08134	4.7
187.78479	0.6
193.05052	5.4
196.73636	0.6
207.08180	1.6
210.06841	4.2
221.04538	1.0
225.09192	10.1
227.07129	2.1
269.08176	100.0
270.08548	2.1
281.06662	25.0
283.09702	0.8
287.09229	3.0
287.86981	0.6
311.09244	13.8
325.10889	1.2
329.10263	2.7
337.20175	1.0
353.10233	11.0
371.11322	1.2
391.10336	46.7
392.10406	1.8
405.11896	2.2
413.12369	11.3
419.13452	9.0
431.13397	1.4
447.13199	2.9
479.07864	1.2
523.16077	33.2
524.16235	2.0
541.16968	9.2
541.33893	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	541.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13851	0.8
57.44141	0.9
59.01376	100.0
61.98819	5.2
69.12300	4.9
71.01377	1.1
73.02930	1.0
73.93825	0.7
75.00870	4.5
85.02938	1.4
88.83477	0.9
98.21812	1.8
101.02399	0.9
103.00360	6.5
103.01492	80.9
108.02128	1.5
109.02928	1.6
115.43953	0.7
173.31757	0.9
176.63332	0.8
185.11852	1.6
215.12846	1.9
263.67136	0.8
330.93237	0.8
469.89844	0.9
481.20325	1.0
481.31546	1.0
541.33203	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	541.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03427	2.3
57.99413	1.2
59.01379	75.4
61.98535	2.0
61.98826	22.9
62.83928	1.2
63.38384	1.1
69.03433	1.6
71.01381	29.4
73.02953	16.8
75.00851	1.6
79.00475	1.2
82.95413	3.0
83.01386	10.8
85.02946	18.0
86.00109	1.5
87.00881	2.0
87.04522	1.9
88.98779	1.6
89.02448	6.1
95.01392	3.9
97.02926	1.8
97.10751	1.2
99.00897	4.1
101.02438	37.9
103.00367	3.4
103.01485	11.6
108.02171	3.0
109.02942	2.6
111.00864	2.9
113.02451	13.3
115.03967	1.3
119.03444	1.9
119.05006	2.2
123.00878	4.7
124.01628	1.4
125.02440	4.6
145.02916	3.3
151.03983	1.8
159.03055	2.3
161.04543	8.1
161.06143	1.3
163.04066	1.7
168.00548	1.4
169.01369	2.3
192.00685	2.4
193.01341	2.7
205.05170	1.9
218.17928	1.2
227.07077	3.7
235.06114	2.5
265.07120	4.6
300.99744	2.0
335.20740	50.4
335.24768	2.7
479.08655	5.8
481.26501	100.0
482.26712	4.9
541.13251	2.6
541.22028	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31670	0.3
59.01370	1.0
60.99305	13.9
61.98820	1.2
71.01366	0.6
71.45637	0.4
87.00882	1.4
88.00423	0.6
88.98804	100.0
89.02442	13.9
89.03001	0.5
89.99121	0.5
93.49020	0.3
96.95992	1.0
98.95580	0.9
101.02444	0.5
108.02202	0.3
109.02937	0.5
113.27040	0.3
123.00906	0.8
125.02433	1.2
133.01433	0.4
149.02539	0.3
149.32668	0.3
166.99893	0.4
169.01418	1.2
181.63771	0.3
190.02800	0.3
192.00603	0.9
193.01418	1.8
203.90399	0.3
207.02954	0.3
275.01929	0.4
300.99927	1.2
330.02655	0.3
336.84796	0.4
368.61819	0.4
436.66776	0.3
450.99365	0.5
479.08276	3.7
541.29132	0.5
555.57928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82370	0.7
61.13519	0.7
61.98817	3.2
67.04652	0.7
69.37379	2.1
69.37772	1.5
72.69580	0.6
95.01376	0.9
97.02973	0.9
98.22540	1.1
107.01344	1.6
108.01962	0.6
123.00883	5.0
124.01643	3.9
125.02447	26.1
139.00383	1.0
141.01854	0.9
145.31374	0.9
151.00403	2.0
161.02406	2.3
162.03217	2.1
164.01007	1.2
165.01974	0.8
166.02733	1.4
168.00606	2.0
169.01422	43.4
170.01756	1.0
177.01903	1.5
178.02765	0.8
190.02731	4.1
192.00636	19.1
193.01402	7.6
194.02191	3.8
205.01395	2.1
206.02130	3.5
207.03001	8.5
211.02435	1.5
222.01677	3.1
233.00888	1.0
234.01666	13.6
235.02234	1.1
237.04134	1.4
246.01741	1.9
249.04021	8.3
254.02151	0.7
271.04510	1.1
294.03864	2.9
301.00012	1.5
309.06122	2.2
312.04889	4.7
327.07178	2.8
374.97723	0.8
375.04697	0.7
450.99228	1.0
479.08295	100.0
480.08783	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	542.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00401	0.9
61.98822	2.4
69.61687	3.1
71.93526	0.9
73.73746	0.9
77.42976	0.8
83.28716	0.8
107.01385	1.8
112.53197	0.9
121.58979	0.9
123.00903	2.6
124.01651	4.9
125.02433	8.6
137.02467	1.5
139.03999	2.1
149.02444	2.9
161.02402	1.3
162.03242	1.4
164.01163	2.2
165.01933	3.1
166.02695	1.1
167.03568	1.1
168.00670	3.6
169.01431	8.9
179.03555	0.9
183.02969	1.3
190.02730	3.2
190.81871	0.9
191.03505	1.7
192.00644	37.8
193.01413	61.8
194.02179	4.3
205.01334	1.4
206.02264	1.6
207.02963	12.6
211.02437	7.8
221.00955	1.6
222.01776	1.2
234.01605	5.1
235.02475	6.5
237.04227	1.2
249.04024	3.0
259.80743	1.1
271.04568	2.6
312.04898	5.4
313.05487	5.7
327.07172	2.5
329.95935	1.0
334.54944	1.0
400.93097	0.9
416.41592	1.0
464.05853	1.4
479.08322	100.0
480.08777	4.2
494.17685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03475	0.6
59.01370	3.7
69.90423	1.5
69.90779	1.0
71.01379	9.3
73.02982	2.5
79.01934	1.6
82.02085	0.6
83.01414	1.9
85.02950	5.8
89.02475	1.1
90.85249	0.5
92.02731	2.5
93.03456	28.8
94.26048	0.6
94.98087	2.9
95.01382	4.6
96.99339	2.2
97.02983	1.0
98.21948	0.7
99.00898	1.5
101.02454	8.7
101.03093	0.6
105.52121	0.7
107.01412	1.1
107.40013	0.7
108.02176	23.6
108.02876	1.3
109.02953	32.9
110.03346	0.9
113.02438	5.2
114.56910	0.7
121.03014	2.1
123.00883	14.1
123.01708	0.7
123.04591	0.6
124.01719	0.9
125.02454	8.4
126.91029	0.5
131.03494	0.8
135.04617	1.0
136.01674	3.3
137.02448	71.0
138.02824	1.2
139.00386	1.0
141.01945	1.9
147.04555	1.2
149.04665	0.7
151.00362	5.5
151.04047	2.2
161.04630	1.9
161.67345	0.7
163.04002	0.8
169.01410	12.4
169.02730	0.7
179.03494	1.1
191.03519	0.9
221.04597	1.8
248.43008	0.6
250.57790	0.6
281.06668	40.9
282.07043	1.0
313.05499	0.7
391.10339	100.0
392.10809	4.6
423.09219	1.3
433.07806	2.0
447.08990	0.9
543.11401	56.9
544.11749	2.7
566.23383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
59.01382	1.7
61.98827	1.6
65.00332	0.3
67.01881	1.3
68.13955	0.3
68.75881	0.2
69.03454	0.8
69.33103	1.4
71.01376	3.9
72.70213	0.2
73.02946	0.8
77.72974	0.3
78.01115	0.5
79.01884	0.9
81.03448	0.8
82.00599	0.6
82.95453	0.3
83.01390	0.6
85.02965	1.5
87.00851	0.3
89.02434	0.5
92.02688	0.7
93.03453	13.4
95.01372	1.8
96.99296	0.4
97.02956	1.3
98.22664	0.3
99.00882	0.5
101.02435	2.4
107.01389	5.3
108.02179	6.6
108.85811	0.3
109.02949	10.6
110.00064	0.5
111.00868	2.1
113.02406	1.7
120.30400	0.3
121.02956	0.7
122.99973	0.5
123.00884	12.1
124.01662	11.7
125.02444	35.0
126.02814	0.4
127.00358	0.5
135.04541	1.0
136.01671	0.9
136.98888	1.3
137.02441	30.2
138.02800	0.4
139.00386	2.9
140.01151	3.7
141.01917	1.4
147.04556	0.5
149.02415	0.3
151.00359	4.5
151.04010	0.8
153.01985	0.6
160.01668	0.5
161.04527	0.5
163.03952	0.4
166.99878	0.6
168.00635	4.5
169.01416	37.0
170.01744	0.8
174.97252	0.3
175.03989	0.5
179.03523	0.8
191.03488	0.5
193.01358	0.5
193.05074	0.7
200.63225	0.3
209.04630	0.4
211.02492	0.5
221.04703	0.3
235.06113	0.4
265.07257	0.4
281.03763	0.5
281.06665	5.8
287.03998	0.3
289.20157	0.4
295.04657	0.6
295.08032	0.4
313.05630	1.0
345.22864	0.4
391.10153	1.3
423.09341	1.0
433.07840	2.9
480.08728	0.9
543.11407	100.0
544.11829	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15284	0.7
52.35798	0.7
56.10768	0.7
59.01376	5.7
61.98827	5.0
67.01881	0.8
67.29370	0.7
68.99831	1.1
69.03435	2.4
71.01377	10.4
72.99333	1.1
73.02949	1.2
79.01893	2.1
81.03452	1.3
83.01382	2.0
85.02953	4.5
89.02446	3.0
93.03458	36.1
94.98103	0.8
95.01375	2.9
96.99261	0.8
97.02942	3.0
99.00876	0.9
101.02462	5.0
101.96670	0.8
105.01916	2.7
107.01412	7.8
108.02188	4.9
109.02952	8.6
110.75099	0.7
111.00870	2.1
113.02442	6.1
121.02934	1.3
123.00877	20.6
124.01664	13.0
125.02445	68.1
125.42774	0.7
126.02827	0.7
127.00394	1.2
131.03552	1.2
135.04581	1.5
136.01674	1.5
137.02441	95.2
138.02766	1.3
139.00354	2.8
139.04056	0.9
140.01160	3.1
141.01929	2.5
147.04494	1.0
149.02393	1.5
149.04547	3.4
151.00357	9.7
151.04021	2.5
153.01920	2.2
161.02505	0.8
163.04077	1.6
165.01888	1.7
166.99844	1.1
167.03441	1.7
168.00633	5.9
169.01424	63.0
170.01735	1.4
175.03947	1.6
177.01862	1.2
179.03539	3.6
179.11067	0.7
182.64276	0.8
191.03493	2.2
193.01427	4.2
205.01358	1.1
209.04628	1.6
211.02510	4.3
222.86340	0.8
223.02449	1.1
231.54759	0.7
233.04599	0.9
281.06641	8.5
295.04477	5.1
313.05688	2.9
345.22516	1.0
391.10098	1.8
423.09360	1.0
433.07745	100.0
434.07968	4.4
471.14432	1.3
543.11469	73.2
544.11560	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	543.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	46.7
61.98829	100.0
62.78023	7.2
71.01362	32.4
73.02937	13.7
89.02428	21.7
96.95968	7.5
101.02426	22.0
112.58742	6.3
113.02428	9.5
115.69686	7.5
125.02445	31.3
137.06029	8.4
149.04585	12.4
169.01414	27.4
193.01381	9.6
193.08798	7.0
197.97302	8.3
205.91673	7.4
251.25648	7.0
300.99796	8.4
335.22168	9.5
464.46945	7.8
473.53323	9.0
480.08832	20.5
483.32889	9.9
543.16168	12.7
543.23547	8.3
543.35297	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	543.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67162	0.3
55.01859	0.6
55.65772	0.2
59.01371	1.8
59.45293	0.3
60.59702	0.3
62.09695	0.2
69.29395	1.2
71.01379	11.8
73.02946	3.6
75.00862	0.3
83.01385	1.0
85.02953	4.5
87.00871	0.3
89.02434	0.9
95.01396	0.8
96.91660	0.3
97.02948	0.5
98.22676	0.3
99.00899	1.0
101.02441	7.8
107.05038	0.5
108.02175	100.0
109.02964	22.4
109.04047	0.4
110.61514	0.3
113.02444	5.7
116.48413	0.2
121.02956	1.4
122.03712	0.3
123.00875	0.5
123.04536	2.2
129.01971	0.3
133.02972	1.6
134.03716	0.5
135.04552	0.5
142.37073	0.2
143.03473	1.4
151.04012	5.6
159.02980	2.3
161.04555	26.9
162.04916	0.4
163.04016	2.4
193.05089	0.5
221.98235	0.3
271.08231	18.3
272.08655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
58.00579	1.5
59.01377	96.8
61.98826	8.2
71.01380	60.4
71.01711	0.8
72.99308	0.9
73.02942	14.2
73.31738	1.0
74.40438	0.8
80.91683	2.2
81.02297	0.8
83.01381	2.4
85.02953	9.6
87.00886	2.1
89.02444	100.0
93.03432	1.6
99.00835	1.2
101.02442	44.2
109.02953	1.0
112.21345	0.8
113.02444	11.0
118.62092	0.9
119.03507	9.9
125.02460	6.2
128.68884	0.9
131.03497	27.8
137.02423	3.7
143.03447	2.0
149.04550	94.5
161.04556	2.1
163.06081	2.9
168.69943	1.1
169.01384	2.3
179.05540	2.3
191.05608	13.4
237.84561	0.9
251.07704	2.5
311.09692	1.9
483.22342	10.2
483.33408	0.9
543.11285	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	543.3312
Annotation	Luvungin F
Peak:m/z	Relative Intensity
59.01383	22.4
61.98827	50.2
69.15012	14.0
69.15414	11.3
70.19349	4.8
71.01386	6.4
73.09196	4.9
83.89357	4.7
89.02457	5.3
101.02467	7.9
120.97438	4.1
125.02451	11.3
142.64803	3.7
166.70718	4.3
169.01471	10.0
170.17009	4.0
201.11302	4.8
480.08911	5.7
507.35263	15.0
539.68170	4.5
543.33124	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	544.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.2
57.03688	1.4
59.01379	88.2
61.98829	58.7
66.82809	1.6
69.03454	6.7
69.15832	4.6
69.16235	7.2
71.01379	83.6
71.58593	1.6
72.99322	2.0
73.02937	10.9
79.10792	1.8
81.03455	3.3
83.01383	3.7
85.02941	14.5
87.00879	2.4
89.02444	100.0
93.03453	9.5
94.03781	4.2
96.96008	5.0
97.02969	9.4
98.22630	3.2
99.00845	3.0
101.02442	39.3
107.01402	3.1
108.02186	2.0
109.02976	4.3
113.02442	16.0
114.75365	1.8
119.03507	5.6
123.00874	5.4
124.01707	4.1
125.02444	41.5
126.02772	5.4
131.03497	29.4
137.02438	24.7
138.02765	9.2
143.03461	4.0
149.04553	70.2
151.00476	1.9
152.00638	1.9
161.04573	5.5
169.01392	19.9
170.01756	6.8
170.35103	1.8
182.01620	1.7
191.05545	13.8
192.11565	3.6
201.41589	1.9
207.13846	12.5
216.96796	1.6
233.06648	7.0
236.03885	1.8
293.08765	46.2
433.07675	6.6
434.08142	21.4
501.23309	8.9
539.93524	2.2
544.11816	38.9
544.20026	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	544.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10641	1.3
55.01879	1.5
57.03448	5.7
59.01378	81.6
61.98823	14.9
67.98802	1.1
69.03456	4.1
69.77292	1.1
71.01381	76.2
72.99287	1.7
73.02946	11.9
77.19839	1.2
79.01879	1.4
81.03466	2.4
83.01396	3.8
85.02943	12.6
87.00883	3.0
89.02443	100.0
93.03452	12.1
94.03793	3.7
95.01379	2.6
96.96037	3.3
97.02955	4.6
98.21825	2.3
99.00853	3.0
101.02444	42.4
107.01397	2.0
107.70967	1.1
108.02172	2.6
109.02962	2.8
113.02460	17.7
115.61284	1.2
119.03493	5.6
123.00892	5.1
124.01652	4.1
125.02454	35.9
126.02776	4.5
126.93343	1.4
131.03506	28.9
137.02443	24.2
138.02791	8.6
139.00412	1.6
140.01152	1.5
143.03479	4.1
149.04555	74.2
150.04738	1.3
151.00371	2.6
161.04587	6.6
168.00711	1.7
169.01430	19.6
170.01706	5.9
191.05600	15.5
192.11517	2.0
207.13850	10.2
230.60156	1.4
233.06647	4.9
281.06625	2.6
282.07068	1.9
293.08783	33.7
296.04874	1.9
433.07532	10.3
434.08115	27.4
435.08261	1.9
501.23508	7.0
544.03943	2.2
544.11829	32.1
544.19940	2.4
545.10919	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	544.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27733	0.9
55.01895	1.1
58.00586	2.1
59.01378	61.9
61.98828	9.0
66.43572	1.0
69.08572	7.7
71.01379	50.0
73.02945	12.1
83.01356	2.0
85.02968	6.4
87.00840	1.5
89.02442	92.5
93.94560	1.0
99.00864	1.2
101.02444	44.0
112.69043	1.0
113.02451	8.9
114.33644	1.1
119.03500	8.0
125.02429	3.4
131.03510	26.1
143.03503	3.4
149.04559	100.0
161.04572	3.7
169.01399	1.3
191.05620	15.9
193.06581	26.6
194.06926	1.8
246.63412	1.0
251.07753	2.0
311.09750	6.8
348.83820	1.1
375.21613	1.4
501.23398	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	544.24
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.2
59.01377	83.1
61.98827	4.3
64.46188	0.9
69.03464	1.2
69.19989	2.7
69.20408	3.7
71.01381	57.5
72.99332	2.1
73.02945	12.2
79.23955	0.9
83.01387	2.6
84.93651	1.0
85.02954	10.0
87.00870	1.7
89.02441	95.1
97.02928	1.6
98.21923	1.5
101.02441	50.2
107.01348	0.9
113.02447	12.2
115.00391	2.6
119.03500	8.9
123.00902	1.7
124.01719	1.1
125.02451	12.9
126.02785	1.6
131.03508	35.0
133.01498	1.4
137.02348	1.1
143.03506	2.5
149.04552	100.0
150.04877	1.1
161.04564	3.3
161.13295	1.6
169.01413	12.5
170.01732	1.3
175.02486	2.1
191.05602	16.0
192.26929	1.0
193.01347	1.3
205.12274	1.9
209.38809	0.9
221.66534	1.0
249.11314	2.7
293.08771	1.5
300.99924	1.1
311.09793	3.7
342.49393	1.0
356.45673	1.1
429.17902	4.3
450.99457	1.6
451.99686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98432	0.1
55.96123	0.1
59.01377	0.2
79.95737	2.8
96.96008	100.0
101.02449	0.2
107.01392	0.2
108.72570	0.1
116.72002	0.2
125.02409	0.2
144.22665	0.1
151.00368	0.5
167.19003	0.1
169.01486	0.2
178.99896	0.3
221.43727	0.1
243.02943	0.3
255.02989	0.9
269.62854	0.1
270.99689	0.2
271.02454	1.2
300.02750	2.6
301.03510	2.0
301.76337	0.1
352.96344	0.2
356.99423	0.3
399.00397	2.2
447.09299	3.8
448.09509	0.2
501.23132	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	545.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26985	0.6
54.03729	0.6
59.01373	0.9
67.01887	0.7
71.01369	1.0
76.13125	0.8
83.35007	0.7
85.02945	5.9
87.00861	1.6
93.03461	2.6
127.03999	2.3
133.01427	0.8
135.04518	1.2
159.31325	0.8
161.02354	0.9
173.04601	0.8
179.05496	0.6
191.05602	100.0
192.05974	1.1
289.02209	1.3
315.07111	0.8
317.76068	0.7
327.46533	0.7
349.04468	1.1
353.08728	13.1
540.78027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92902	0.3
59.01373	0.9
62.21411	0.3
64.46469	0.3
71.01382	0.7
71.26602	0.4
75.83205	0.4
85.02946	6.6
87.00866	1.1
93.03463	2.8
109.02963	0.4
111.04496	0.8
112.89547	0.4
127.03996	1.2
129.65562	0.3
135.04541	1.1
145.75471	0.3
152.01132	0.3
161.02431	1.3
166.44040	0.4
173.04503	1.1
179.03471	0.5
191.05606	100.0
192.05984	1.4
193.39839	0.3
211.73709	0.3
296.40079	0.3
337.49997	0.3
353.08728	13.3
355.73730	0.4
447.39276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58696	1.6
59.01365	1.5
71.01376	3.5
79.31077	1.4
85.02956	5.3
93.03432	2.2
94.34443	1.5
97.02924	1.9
101.02463	2.1
107.01385	5.9
113.02457	8.3
123.00875	8.1
124.01685	4.1
125.02447	65.5
141.06961	1.5
151.00365	4.0
169.01425	89.0
173.04587	2.1
176.31494	1.6
191.05603	29.2
192.05959	9.8
211.02515	5.1
313.05597	9.6
331.06686	10.2
331.23438	1.4
353.08707	3.9
354.09311	3.5
483.07809	100.0
484.08084	3.1
546.15863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26778	0.2
58.41714	0.3
59.01378	2.1
61.98831	1.6
67.64957	0.2
70.80794	0.6
71.01375	1.1
71.06453	0.2
79.95739	2.3
82.95415	0.8
83.22904	0.2
87.63700	0.3
89.02425	0.9
90.97161	0.4
96.96005	100.0
98.93940	0.3
101.02415	0.7
114.93413	1.7
115.00372	0.4
118.96626	0.8
125.02489	0.3
131.03493	0.4
152.39645	0.3
156.98230	0.4
165.12823	0.4
168.98227	0.3
187.96367	0.3
191.05574	0.6
209.11839	0.3
213.04477	0.7
223.06564	1.2
263.09741	0.6
265.07489	1.6
269.13977	0.9
281.10562	0.3
282.03317	0.3
283.08624	0.8
291.49036	0.3
295.08643	0.3
307.08685	0.3
427.07037	0.6
427.12842	12.0
428.13229	0.5
449.20285	2.1
487.14975	12.0
488.15500	0.5
511.12015	0.5
547.02893	0.4
547.13306	0.6
547.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23507	0.3
52.73733	0.2
57.87530	0.2
59.01377	1.8
61.98825	0.3
71.01378	1.1
71.46101	0.2
73.02946	1.1
85.02937	0.4
89.02437	1.1
99.00887	0.6
99.92578	10.2
100.92612	0.4
101.02443	0.5
113.02458	0.6
116.92858	100.0
117.01917	1.5
117.92872	2.0
119.03472	0.3
137.09790	0.3
160.01593	0.4
160.85121	0.3
169.01422	0.4
175.03963	0.5
191.05554	0.2
225.11218	0.3
227.03511	0.5
255.03040	1.0
284.03195	1.1
285.04077	1.0
295.08408	0.2
335.71921	0.3
342.98694	0.3
369.22858	0.5
387.23828	0.4
431.09766	1.6
480.25809	0.2
549.29175	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	549.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.1
61.98837	6.3
69.43871	3.7
71.01382	7.6
71.41226	0.8
72.99319	0.9
73.02955	0.9
84.93873	2.3
85.02950	1.4
87.00869	1.8
89.02438	4.3
96.96008	19.6
98.22643	1.8
98.95595	15.6
98.96336	1.7
99.00883	1.8
99.92583	32.8
100.92667	1.1
100.93361	21.6
101.02448	3.2
113.02467	2.0
114.93408	1.4
114.94922	1.0
115.92075	16.0
116.92860	100.0
117.92878	1.1
125.02441	1.2
126.94930	3.8
130.03047	0.9
134.06155	6.6
141.93631	1.7
142.94447	1.9
146.91277	0.8
152.07414	1.1
154.94440	1.0
158.02502	2.7
158.93941	0.9
167.95207	1.8
168.96043	1.4
169.01436	1.2
169.93051	0.9
170.93907	1.4
172.33127	0.8
184.95506	1.0
187.94122	1.3
190.05098	10.2
200.25513	0.8
222.07686	3.2
240.33409	0.8
244.97572	2.1
263.07275	1.0
291.06863	1.1
292.07672	1.5
305.09131	1.2
307.06229	2.7
309.08286	1.7
311.05878	1.5
311.10446	0.9
314.12558	1.3
336.06641	3.1
337.11935	4.9
351.05240	0.9
352.06235	1.5
353.06903	4.8
369.14481	2.2
369.22559	0.9
387.11505	1.0
420.92377	1.0
429.13110	1.5
469.11685	9.5
470.11774	0.9
487.12930	1.0
489.15375	2.7
513.10754	11.3
514.11597	0.9
517.18311	10.0
531.12042	1.7
549.12781	54.9
549.20850	15.2
549.29272	2.8
550.12775	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	549.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98818	25.6
63.22395	3.7
69.54748	15.5
71.01387	31.5
73.02940	9.0
83.01386	4.5
85.02957	14.7
87.00878	9.0
89.02451	28.5
96.96010	15.9
101.02431	29.0
109.02914	4.9
112.30354	3.6
113.02467	17.2
116.92853	28.8
119.03542	12.9
121.02963	39.8
123.00816	7.8
125.02443	10.1
161.04550	6.5
169.01430	8.1
327.21585	5.7
351.21704	42.1
369.22809	7.9
387.23697	7.0
429.14542	4.2
489.27020	14.5
549.17535	23.8
549.29065	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99008	20.7
55.35047	22.7
69.12184	42.2
69.12599	100.0
94.23428	25.2
133.77950	24.4
140.00964	22.6
142.98996	22.1
146.54710	22.3
268.67545	25.4
277.21750	28.0
283.39929	22.7
319.13437	28.4
345.72968	28.2
549.28027	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27947	22.3
69.11478	100.0
69.11889	53.1
71.52754	20.7
92.23431	22.7
98.21967	62.1
112.94942	21.2
128.75098	21.2
229.18912	24.0
254.60245	21.8
393.26593	25.7
546.76794	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26220	0.1
59.01382	0.8
61.98809	0.1
69.19189	0.3
69.19593	0.6
69.93359	0.1
71.01376	0.4
78.95901	1.8
79.95733	2.5
84.95114	0.7
85.02984	0.2
89.02434	0.3
93.20206	0.1
94.98092	0.2
96.96011	100.0
96.96889	2.8
97.95966	0.2
98.22638	0.2
101.02479	0.2
111.00883	0.1
113.02468	0.2
123.00909	0.2
125.02474	0.7
137.10808	0.1
166.99861	0.2
169.01465	0.8
179.05684	0.2
179.90269	0.1
224.17970	0.2
225.11325	0.3
300.99918	0.5
549.09088	0.2
549.29413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01380	4.5
61.98824	0.7
65.00317	0.5
65.03965	3.3
67.01893	1.9
69.03420	0.4
69.42519	1.1
71.01387	2.0
73.02943	0.6
82.95416	0.8
83.01392	0.3
85.02971	0.7
87.00851	0.4
88.98835	0.3
89.02438	1.9
91.01894	22.9
92.02247	0.3
93.03456	0.4
95.01385	0.8
98.22586	0.5
98.95573	0.3
101.02448	1.1
104.50172	0.3
107.01393	0.4
107.05054	0.5
108.02155	0.5
109.02951	26.3
113.02429	0.5
119.03499	0.6
121.02947	0.7
123.00890	2.0
124.01679	0.5
125.02435	3.5
135.00883	77.0
136.01128	0.7
137.02455	0.9
153.01933	100.0
154.02240	1.0
161.02489	0.4
163.06085	0.3
166.99828	0.4
169.01434	3.1
171.10365	0.3
175.04042	0.5
177.01965	0.3
179.05421	0.3
191.05505	0.3
199.07674	0.3
243.06641	4.0
243.09006	0.3
249.49832	0.3
275.01953	0.3
299.99045	0.4
300.99908	2.3
311.09192	0.7
341.13867	0.6
371.24371	0.8
389.25476	0.8
391.02924	0.5
437.77792	0.3
443.11899	5.0
540.23853	0.3
550.29797	0.4
551.17725	0.6
551.30548	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	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03437	1.0
58.00600	1.1
59.01376	78.7
61.98822	3.0
66.18262	0.5
69.03451	28.0
69.11481	3.6
71.01378	39.3
72.01726	0.6
72.99314	1.5
73.02943	19.7
79.01889	13.1
79.02320	1.0
81.03454	4.9
83.01393	3.9
85.02942	17.8
87.00887	2.3
87.04531	0.6
89.02439	22.9
93.03467	0.7
95.01367	3.3
96.14301	0.5
97.02950	23.4
99.00885	1.4
99.04509	0.8
101.02439	34.7
103.04006	26.2
107.01382	26.9
108.02172	56.1
109.02953	19.7
113.02477	2.7
115.03994	2.1
119.03497	12.8
121.02936	3.2
123.00886	2.7
125.02441	53.1
126.02794	0.6
127.03989	3.3
131.03468	1.4
131.05199	0.5
135.00877	47.2
137.02420	5.3
143.03473	4.6
145.05072	4.2
151.00363	3.7
152.01146	100.0
153.01924	11.7
161.04541	0.6
163.03981	1.3
163.06120	15.8
164.12741	0.6
169.01344	1.3
187.06229	0.7
197.06065	6.0
205.07120	1.9
213.05504	1.7
215.07144	0.9
229.07263	1.2
242.05867	1.3
243.06592	52.5
244.06914	1.9
247.08238	9.2
307.10287	6.0
341.50119	0.7
353.23447	0.7
380.76041	0.6
385.14038	0.8
443.11893	76.3
444.12445	3.1
491.28702	3.7
551.18762	0.7
551.30554	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	553.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.6
61.98822	7.5
68.72744	0.9
70.76364	1.1
71.01370	1.7
73.02906	0.8
75.00870	1.3
80.64523	0.7
89.02445	0.9
93.03465	1.5
101.02441	1.9
109.02921	3.1
119.05013	3.3
121.02966	3.4
123.00832	1.0
125.02441	2.6
137.02399	1.0
145.02963	2.6
148.01649	2.3
149.02414	0.9
152.54747	1.0
163.03979	3.2
169.01411	3.6
170.01765	1.3
185.02409	3.0
213.01923	11.9
214.02695	2.4
227.13007	1.0
229.01451	2.0
241.01405	3.2
242.02098	1.3
256.00058	2.3
257.00909	25.0
269.00864	6.7
270.01620	2.8
276.65253	0.9
277.04984	1.3
285.00366	3.5
297.00339	1.4
300.99896	1.0
305.04507	2.5
317.04471	1.5
321.04129	1.0
322.05188	1.3
331.18951	1.1
332.03159	3.5
333.03949	5.0
334.04794	1.1
335.05612	1.7
349.03467	8.0
351.05099	1.6
355.24918	1.1
360.02716	4.9
361.03519	44.2
362.04099	2.0
377.03003	50.8
378.03629	6.6
379.04523	2.8
389.02966	2.7
391.17566	3.0
406.03275	78.1
407.04041	80.0
408.04303	3.8
425.04672	1.4
493.20547	1.3
553.09851	100.0
554.10266	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	553.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79693	3.8
57.03444	4.5
59.01378	22.5
61.98827	95.9
69.03483	4.6
71.01386	23.2
73.02946	5.6
83.01395	4.0
84.93871	8.7
85.02950	11.7
87.00868	7.1
89.02468	8.3
95.01376	6.0
96.96023	19.9
98.95568	16.3
99.00903	7.2
99.92581	100.0
100.93348	39.9
101.02438	6.4
107.01389	5.4
108.02183	27.5
109.02995	24.7
113.02439	10.8
115.91299	7.0
115.92074	71.6
116.92864	92.5
123.00862	13.7
123.74659	4.1
124.01736	3.7
125.02474	32.9
126.95036	4.2
137.02443	6.1
137.12070	4.4
155.10768	6.9
164.07187	3.9
169.01419	41.0
170.01709	5.6
177.01950	5.8
207.94652	5.1
237.02164	8.0
253.01701	4.8
282.02161	20.9
283.02661	6.6
299.02094	5.7
299.18448	4.5
300.99863	8.4
325.03683	6.2
331.19156	6.9
361.21872	5.0
375.05237	10.8
409.05551	5.5
461.97101	4.3
493.26361	8.6
505.08057	9.5
517.08099	50.1
535.09027	42.2
553.09375	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.5
60.01704	3.0
61.98825	27.3
65.15536	1.8
69.03448	9.6
69.29600	9.1
71.01389	12.9
71.24488	1.8
73.02934	8.4
74.11339	1.6
83.01398	4.0
85.02943	5.3
87.04597	1.8
89.02444	7.5
95.01377	2.6
97.02950	6.8
101.02424	12.0
103.03996	6.7
107.01384	4.9
108.02174	14.5
109.02966	5.7
109.20712	2.0
110.03257	2.1
119.03498	3.0
123.00858	3.7
125.02460	16.8
126.02785	4.4
135.00865	7.5
136.01242	1.6
137.02409	4.1
145.02940	6.0
152.01140	18.6
153.01509	7.8
154.01550	4.4
161.02481	3.2
163.06079	2.2
164.01126	7.3
165.01888	3.1
169.01425	6.5
177.01945	2.0
178.64804	1.8
183.10286	2.8
190.02690	2.7
192.00636	100.0
193.01402	55.9
194.02145	6.9
195.02783	2.0
205.01401	5.2
206.02200	5.2
207.02988	24.7
222.01671	4.2
234.01703	15.2
235.02309	4.7
243.06575	6.1
243.12357	6.3
244.06960	7.4
245.07153	2.7
249.04092	11.7
253.53812	1.7
276.02966	2.0
285.13568	2.8
300.99695	2.7
309.06146	2.7
355.25034	3.3
417.12076	3.2
433.90100	2.2
443.11731	1.9
444.12289	6.1
445.12549	14.6
493.16913	5.4
507.06830	1.9
507.19009	2.3
535.17975	4.7
553.19263	91.3
553.26813	3.5
554.19659	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	553.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	62.8
61.22429	10.7
61.98825	76.6
67.91367	12.2
71.01385	18.5
85.02946	14.8
89.02434	16.8
93.03450	18.0
95.01387	13.8
99.92588	11.9
101.02438	34.2
106.85284	13.2
108.02171	14.8
109.02972	32.1
116.92916	27.0
123.00864	29.1
125.02442	61.5
137.02487	29.7
161.04581	15.5
166.99944	13.8
169.01418	100.0
170.01735	21.1
226.50256	11.7
233.33171	11.8
245.11882	14.3
291.22006	12.3
299.18463	18.9
299.99149	13.6
300.99988	24.2
320.66000	15.3
393.23422	13.8
468.16254	15.2
553.20477	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
59.71413	0.6
61.98827	100.0
71.01382	1.3
73.02962	1.3
74.28777	0.7
75.00852	0.7
76.23856	0.7
76.45374	0.8
88.98809	1.6
89.02457	1.0
98.22639	2.6
101.02438	1.4
144.47780	0.7
145.31693	0.6
163.41081	0.7
169.01479	0.9
174.03632	0.6
175.35602	0.6
194.95425	0.7
269.98041	4.7
285.00397	4.9
297.97543	17.3
301.03430	0.9
301.25735	0.7
312.99878	36.4
314.00430	1.6
319.35046	0.8
328.02234	23.7
329.02768	0.9
350.97485	0.7
464.09424	0.9
476.05899	1.8
491.08279	48.6
492.09198	1.4
553.32397	4.0
554.20538	0.9
554.32782	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	554.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78453	0.9
59.01386	6.9
61.98829	100.0
71.01387	3.3
74.15887	1.1
81.51991	1.1
89.02464	2.4
101.02451	2.4
113.02476	1.0
211.13458	1.2
293.21118	1.3
329.23297	2.8
378.03528	1.4
407.03574	2.0
491.28592	31.9
492.28729	1.8
554.10211	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	554.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.9
69.13349	5.3
83.05022	2.5
87.02151	0.9
88.14017	0.8
108.56753	1.0
127.86482	0.9
163.11244	2.3
165.12877	1.0
171.10303	4.7
200.05196	0.9
209.11818	100.0
210.12106	2.9
210.52533	1.1
227.12914	14.0
259.66934	1.0
265.14401	1.4
267.85577	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	555.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88617	0.6
57.41702	0.7
59.01368	2.2
61.98823	9.1
71.01390	1.4
87.04507	1.1
93.03444	1.2
93.49130	0.6
95.05013	0.8
96.95985	0.7
98.22710	0.9
101.02423	0.9
108.02162	3.0
109.02943	11.9
121.02961	3.4
122.03745	7.1
123.04491	3.3
131.12889	0.7
132.02156	1.7
133.02950	5.3
134.03745	1.0
135.04515	3.9
136.01619	0.9
137.09711	0.8
147.04495	1.7
149.02425	16.5
149.06145	0.9
150.03221	59.8
151.04056	6.7
155.10780	2.4
159.04500	1.9
164.04718	4.0
165.05565	37.9
169.01440	1.2
173.06104	2.5
180.04282	2.6
181.05009	3.1
184.15472	0.8
189.05571	2.5
191.07050	1.0
192.00615	2.8
193.01462	1.3
195.06618	20.4
203.07060	1.1
209.11842	4.2
220.79778	0.7
224.95602	0.7
227.12935	0.8
240.04233	1.6
241.04982	4.3
241.10631	0.8
255.06596	3.2
266.05859	1.2
267.06461	1.7
269.08167	1.3
281.08115	1.3
294.09186	0.8
297.07758	3.6
298.08377	1.2
299.09305	5.2
311.09360	1.5
313.10809	5.6
329.10263	2.0
343.12018	0.9
344.12604	9.8
344.45392	0.8
345.13342	3.0
357.13205	1.0
358.14221	1.9
359.14981	24.3
360.15195	1.2
401.15915	2.0
431.15012	1.2
443.14932	2.1
447.14447	1.6
453.17502	5.4
461.15952	8.4
477.15524	3.1
492.17847	1.8
493.10007	4.0
507.20203	100.0
508.20502	5.3
555.22455	12.8
555.31183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	6.9
59.01389	12.0
59.91934	5.7
61.98824	23.4
62.20243	5.6
69.83366	12.6
69.83727	12.5
75.35928	5.3
87.04505	14.8
93.03432	6.1
108.02168	12.8
109.02953	8.0
126.99575	14.3
133.96915	5.5
134.99243	5.2
135.04451	5.4
137.02448	16.8
148.01567	7.4
163.04002	23.7
167.06316	100.0
201.11282	15.5
208.35699	6.0
211.05280	58.0
212.05592	5.4
215.56084	6.3
218.92786	5.8
281.06613	13.8
285.64169	5.7
328.95944	5.7
343.07834	15.7
350.44382	6.0
355.24835	32.8
357.26410	75.9
391.10379	28.0
414.27161	6.0
519.71967	6.0
521.91779	6.5
555.14960	12.4
555.28760	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60912	0.4
59.01360	0.6
61.98825	100.0
64.20927	0.4
65.40960	0.4
69.14776	2.3
70.05621	0.4
103.86080	0.4
107.01389	0.8
107.05057	0.4
111.00890	0.4
120.16467	0.3
121.02942	0.7
123.00887	1.0
123.04514	0.4
124.01662	0.8
125.02431	0.9
132.36913	0.4
137.02443	1.0
138.03235	1.1
139.00206	0.4
139.03990	1.1
149.02428	1.1
151.03934	0.5
162.03378	0.5
164.01193	2.4
165.01955	1.3
166.02736	0.7
166.99782	0.7
168.00673	1.4
169.01445	1.0
177.01991	0.6
178.99855	0.6
182.02226	0.5
183.02988	3.3
190.02687	0.9
192.00632	31.4
193.01393	23.7
194.02139	1.7
206.02197	0.9
207.02957	9.2
209.12239	0.4
210.01764	1.1
211.02457	0.7
221.00970	0.7
222.01645	0.6
225.04051	4.7
234.01675	3.1
235.02528	2.5
249.04068	1.0
271.04626	0.5
285.06070	2.2
312.04767	1.0
327.07410	0.8
443.46219	0.4
478.07278	0.6
493.09860	50.7
494.10544	2.8
503.39331	0.5
508.00323	0.4
518.50104	0.4
565.99274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98828	13.0
62.36793	0.9
69.09757	6.1
71.01384	2.2
73.02937	1.0
85.02956	1.0
89.02445	1.6
101.02468	2.1
109.02977	1.5
121.02950	100.0
122.03268	1.0
125.02451	1.3
144.22966	0.8
149.02449	1.0
150.03198	3.1
163.06125	1.6
165.05566	2.1
169.01454	1.1
171.69075	0.9
177.01889	1.6
189.01791	1.2
195.06564	1.6
217.01482	1.3
341.06567	4.0
351.21768	1.1
410.62845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.98822	2.2
69.15373	5.9
70.76755	1.2
71.01372	2.2
71.18692	1.1
72.84078	1.1
81.12841	1.3
83.28570	1.0
89.02461	2.4
101.02438	2.4
104.65507	1.1
115.48468	1.2
122.88201	1.1
143.50967	1.3
150.01109	1.1
161.04633	1.5
235.08203	1.3
253.09265	15.1
277.21716	100.0
278.22067	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	556.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43139	0.9
59.01379	3.8
60.01769	0.9
61.98830	2.0
63.49936	0.9
69.16338	5.5
71.01366	1.9
88.77135	0.9
89.02426	3.5
93.45031	1.0
101.02435	2.5
113.02449	1.2
235.08266	2.3
253.09274	15.2
277.21713	100.0
278.22110	3.7
340.80002	1.0
549.15173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39895	0.9
55.18381	0.9
59.30709	1.0
69.43968	4.0
71.01383	15.1
72.99310	3.4
77.33602	1.0
85.00797	0.9
89.02446	2.0
109.02955	2.4
115.00368	42.7
123.00835	1.6
124.01701	1.1
125.02448	3.7
133.01431	100.0
151.00423	1.3
169.01419	6.0
208.53697	1.0
217.88699	1.0
313.05438	1.2
423.09329	22.9
424.09601	1.1
469.23654	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	557.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.9
69.97396	1.2
71.01376	15.7
72.99315	3.5
85.02959	0.5
87.00874	0.7
89.02454	2.2
97.34644	0.5
98.21962	0.5
107.01402	0.7
109.02929	2.3
115.00370	44.5
123.00922	2.3
124.01669	2.2
125.02445	4.7
126.05251	0.5
133.01430	100.0
134.01756	1.0
151.00409	2.2
168.00645	1.0
169.01413	8.3
182.61888	0.5
191.05635	1.0
313.05658	1.6
367.22971	0.5
423.09329	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
61.98839	6.9
66.72643	1.2
69.03442	1.9
69.36773	2.6
69.37122	3.4
71.01369	4.7
73.02920	2.4
80.91689	1.6
83.01368	2.1
85.02938	1.4
89.02449	1.7
92.75301	1.2
93.03451	1.3
95.01387	1.6
96.95985	1.4
97.02924	2.7
98.21886	1.3
101.02425	2.7
107.01352	1.9
108.02190	4.1
109.02956	7.0
113.02415	1.7
123.00902	8.0
124.01653	16.4
125.02448	44.6
126.90395	3.5
133.06645	1.8
137.02435	5.8
139.11299	2.5
143.28326	1.0
145.02922	1.3
149.99580	20.3
151.00287	1.9
155.50998	1.1
168.00642	59.2
169.01433	12.4
183.10287	1.9
191.05583	1.2
212.31331	1.1
225.11334	1.3
228.33427	1.2
281.06439	1.4
303.21780	5.6
313.05670	2.4
391.10300	5.2
441.72583	1.6
495.19232	1.7
497.16574	2.6
557.18732	100.0
558.18945	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	557.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
58.00593	1.2
59.01376	100.0
60.26834	0.6
61.98809	2.9
64.71868	0.6
69.03474	1.3
71.01378	21.1
72.32626	0.5
72.35601	0.5
72.99307	2.5
73.02943	34.9
75.00871	0.8
78.91902	0.7
80.91682	7.4
81.03472	0.6
83.01405	1.7
85.02946	10.0
86.00099	1.3
87.00866	8.0
87.04514	4.0
89.02438	21.5
97.02967	1.3
99.04503	0.8
101.02439	53.6
102.42341	0.5
103.04007	23.2
113.02441	1.6
115.04003	9.7
119.03490	11.1
125.02433	2.5
127.04005	2.0
131.03514	7.8
143.03493	12.1
145.05075	7.2
163.06116	92.8
164.06390	1.3
197.08212	0.7
201.11333	0.7
205.07150	21.3
265.09235	7.9
306.68436	0.6
307.10419	0.8
317.13925	0.6
325.11298	1.5
497.24176	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	558.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96779	0.7
58.75739	0.6
61.98829	100.0
78.95920	0.8
79.19070	0.6
98.21893	1.5
102.14964	0.6
145.92848	0.6
208.68317	0.8
488.48941	0.9
496.55847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14019	3.9
59.01349	4.8
71.20840	3.5
74.01898	4.1
76.67508	3.9
83.01374	8.7
92.60608	3.7
93.46481	4.0
95.01372	9.0
96.96000	10.6
99.00887	5.8
99.95858	4.1
106.89054	3.7
109.02974	10.4
115.00387	9.5
123.00877	18.0
125.02437	12.6
133.01408	9.0
134.01752	5.7
146.57021	4.4
149.06078	100.0
161.02444	12.6
163.03975	6.9
169.01387	13.5
175.03983	13.7
177.01912	9.8
177.39322	4.7
191.03432	4.4
191.05652	8.7
193.04982	10.6
200.57312	4.7
201.14886	3.9
202.54640	3.9
219.02995	39.9
233.04440	8.6
237.04018	58.9
277.03574	7.6
295.40240	4.2
300.99854	18.7
302.00177	4.4
319.04364	10.0
337.05640	73.0
342.28436	4.6
375.11847	4.4
381.08194	9.5
390.52368	5.7
399.09531	10.1
401.97830	4.5
423.09402	9.3
481.09863	9.2
499.10962	50.7
586.04724	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	559.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
69.03458	2.1
79.01922	0.9
91.51973	0.8
97.02964	2.8
107.01393	1.7
121.92273	0.6
123.00877	4.9
124.00735	0.8
124.01004	0.5
124.01658	23.5
125.02444	100.0
126.02820	0.8
149.02448	1.0
167.03500	1.2
191.05675	2.4
249.90613	0.7
260.54736	0.8
287.07709	39.2
288.07999	1.0
290.97208	0.9
400.97293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17054	3.9
59.01371	10.8
61.98816	14.7
69.11479	25.8
71.01368	10.5
73.02956	5.8
85.02944	5.1
86.32681	4.1
87.04507	27.6
96.96019	4.6
98.77592	4.0
101.02436	8.5
108.02164	11.6
109.02954	19.5
113.02428	7.9
121.02950	10.1
125.02437	6.4
131.17107	4.5
142.96007	4.2
161.04510	18.8
166.74445	4.1
169.01370	6.5
256.91479	4.4
258.28027	4.6
269.17569	100.0
271.08237	27.0
290.02451	4.7
305.17636	4.0
413.22058	5.5
523.25635	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
60.02294	0.2
61.98829	100.0
63.85695	0.2
65.91307	0.3
71.01392	1.0
73.02969	0.4
80.90287	0.2
85.02964	0.4
89.02425	1.6
95.51334	0.2
98.22622	0.8
101.02454	0.9
106.26024	0.2
113.02477	0.4
116.92847	0.4
118.93285	0.3
119.03526	0.3
123.00866	0.3
124.07646	0.3
125.02474	0.8
131.03564	0.4
149.04564	1.0
156.60268	0.3
161.86226	0.3
169.01422	0.6
191.05624	0.5
285.51294	0.3
288.14218	0.3
387.46265	0.3
404.26974	0.3
445.80603	0.3
497.16281	0.3
501.23648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24384	1.4
52.33451	1.2
54.55466	1.2
57.91755	1.2
59.01384	12.9
61.98828	52.1
69.43085	3.8
69.43482	2.8
73.02946	2.5
83.01379	3.5
97.02949	2.3
101.02432	2.2
108.02175	13.3
109.02212	2.7
109.02953	51.4
119.07202	1.4
125.02455	3.1
139.11278	9.6
169.01416	3.6
179.10815	1.3
181.12321	3.3
183.10260	19.9
195.87758	1.3
203.87521	1.2
225.11259	4.4
243.12370	3.1
287.62677	1.6
327.14508	1.6
345.43237	1.3
412.95609	1.3
479.18884	1.6
497.20309	100.0
498.20621	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	560.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01378	80.9
61.09871	1.6
69.03432	2.2
71.01381	61.2
71.44660	2.3
72.99315	2.7
73.02940	14.0
78.82367	1.5
80.91686	2.0
83.01379	2.0
85.02937	9.4
87.00874	4.0
89.02442	100.0
97.02938	2.9
99.00917	1.9
101.02441	41.7
113.02468	13.0
119.03493	9.2
123.00886	3.4
125.02451	8.1
131.03503	36.9
137.02460	1.8
145.96919	1.8
145.98166	1.3
147.55139	1.4
149.04549	90.3
160.82393	1.5
160.83855	1.4
161.04561	2.8
163.11269	3.9
165.07472	1.4
166.99788	1.4
169.01419	6.9
179.05637	2.4
180.08795	1.5
191.05579	17.9
192.00661	5.7
193.01404	8.6
194.01747	2.2
205.12366	20.9
207.02908	2.3
223.13467	1.8
240.71182	1.6
251.07651	2.1
288.53729	1.7
293.08707	6.8
311.09680	2.2
409.06433	4.6
479.08105	14.5
480.08551	7.2
517.22919	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	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.3
58.00593	1.5
59.01378	77.6
69.03469	1.4
69.55536	3.8
71.01380	61.6
71.30818	1.2
72.99300	2.0
73.02941	12.7
83.01394	2.5
85.02959	10.9
87.00871	4.4
89.02444	100.0
95.01373	1.4
97.02949	2.9
97.06589	1.3
99.00867	1.5
101.02446	48.0
113.02470	14.4
119.03506	10.0
123.00885	2.0
125.02453	11.0
131.03502	37.0
137.02483	2.6
140.85733	1.2
143.03500	1.6
149.04555	92.5
153.01929	1.9
155.78802	1.2
161.04561	2.1
163.11272	5.8
164.31291	1.1
169.01414	4.7
179.05609	3.7
187.11264	1.5
191.05588	17.4
192.00656	4.9
193.01425	8.7
194.01736	1.8
205.12296	16.1
207.02950	1.7
211.02478	1.6
233.06712	2.1
234.01723	1.5
251.07620	1.8
293.08847	5.6
300.99966	1.9
348.77795	1.3
409.05914	2.2
479.08252	13.0
480.08633	7.1
517.22937	15.6
584.17737	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	560.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	82.2
61.98820	24.3
63.21496	2.8
66.87383	2.7
69.31808	14.9
71.01382	56.0
73.02942	13.0
77.70502	3.2
85.02944	9.9
89.02442	92.1
93.03458	5.1
101.02444	56.8
109.02966	4.0
113.02439	12.3
117.47140	2.9
119.03516	8.1
125.02399	7.4
128.65305	3.2
131.03514	33.5
134.03857	3.1
137.02415	8.4
145.64999	3.6
149.04564	100.0
149.05872	7.0
161.04503	6.0
169.01488	5.7
191.05646	20.1
287.09140	12.0
293.08765	5.3
474.72430	3.5
507.57980	3.6
517.26410	9.2
524.34564	3.3
544.21692	3.9
560.32367	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	561.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01373	0.8
64.35562	0.3
69.63464	0.5
71.01374	0.5
89.35501	0.3
93.03430	0.4
96.96014	0.4
97.02956	0.8
99.92588	8.6
109.02974	1.4
116.92864	100.0
116.98299	1.2
117.92907	2.3
119.04944	0.3
119.45316	0.3
121.02863	0.3
123.00893	0.9
123.04550	0.9
125.02443	4.9
129.74599	0.3
135.04568	0.3
137.02423	1.4
151.03983	0.5
161.02423	0.4
164.01183	0.7
165.01929	0.9
166.99849	0.4
169.01430	1.4
177.01953	0.5
187.03943	0.4
191.05646	0.3
203.07068	0.6
205.01347	0.5
205.05150	0.5
208.79317	0.3
211.02531	1.2
221.04338	0.3
245.08298	0.7
271.04224	1.5
273.07642	0.8
289.07217	4.8
295.06619	0.3
300.99701	0.5
329.06577	0.4
331.06699	0.5
407.07751	0.9
435.10892	1.3
443.11755	0.7
517.09735	0.6
525.03302	1.5
557.73224	0.3
561.13751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80664	0.7
55.01866	0.9
57.03456	0.7
58.00583	1.4
59.01378	89.9
61.98824	1.9
69.45724	3.2
71.01380	59.9
72.99306	1.5
73.02947	13.0
83.01358	1.8
85.02945	10.2
87.00871	1.4
89.02441	92.6
97.02963	0.9
99.04530	0.8
101.02444	50.5
103.03999	1.0
113.02439	9.4
115.03957	0.7
119.03505	7.2
125.02438	2.0
131.02507	1.5
131.03496	27.5
143.03493	1.6
149.04553	100.0
150.04863	1.0
160.01604	0.8
161.04495	3.4
164.02621	0.8
186.12895	0.7
191.05614	15.5
193.06581	37.4
194.06798	1.6
221.06470	0.9
251.07664	2.2
275.07687	0.8
293.08740	2.3
307.10446	0.8
311.09842	7.4
381.23120	1.2
501.23535	3.3
561.29895	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	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18836	1.1
55.01869	1.4
57.03435	2.7
58.00591	1.3
59.01377	99.9
59.36822	1.0
59.47515	1.1
60.01710	1.2
62.25315	1.1
69.03471	1.7
69.91648	2.7
69.92036	2.3
71.01381	69.9
73.02946	15.0
81.03457	1.2
83.01384	2.9
85.02948	10.0
87.00895	1.4
89.02443	99.3
97.02953	1.8
98.22619	1.6
101.02444	47.7
113.02438	12.8
118.72768	1.2
119.03495	7.4
125.02455	8.2
131.02519	1.6
131.03502	32.9
131.04449	2.2
143.03505	3.4
149.04550	100.0
161.04546	4.7
168.95642	1.2
191.05603	15.3
197.55820	1.1
207.13951	4.7
209.47014	1.1
240.80679	1.3
281.08932	1.7
293.08725	13.6
311.09860	4.1
326.52826	1.1
369.18979	1.4
501.23318	6.0
503.39487	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	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
59.01078	2.7
59.01379	57.0
61.98825	17.3
71.01380	60.4
73.02937	20.5
82.95412	4.0
83.01385	6.6
84.95136	3.4
85.02953	24.0
87.00861	4.9
89.02440	39.0
95.01368	4.1
96.96018	3.3
97.03008	2.5
98.22706	3.5
99.00865	5.3
101.02436	45.3
108.02169	2.3
109.02979	8.7
112.83484	2.0
113.02437	20.2
115.00355	2.1
119.03498	4.5
125.02397	6.3
128.90149	2.7
131.03470	6.6
143.03513	2.8
149.04550	20.9
161.04553	21.6
168.00697	1.9
169.01512	3.8
175.02438	4.6
191.05609	6.2
349.52032	2.3
363.20554	2.1
369.19147	58.8
370.19827	2.4
447.09085	2.3
498.20639	17.7
501.23395	100.0
502.23706	5.9
518.23438	3.5
524.28552	2.4
525.28430	5.4
561.32239	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	562.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.7
61.14968	2.0
61.98822	20.8
71.01385	11.2
73.02950	11.3
85.02929	4.8
87.00871	2.3
89.02447	9.3
101.02451	15.5
103.04005	4.0
104.48959	2.2
109.02905	2.6
119.03477	4.5
123.00885	4.1
125.02434	4.5
126.99528	10.6
151.03188	3.3
163.06146	10.6
163.07413	1.9
164.14507	2.1
165.04729	4.3
166.99887	5.1
167.06323	73.1
169.01488	2.4
205.07222	5.4
211.05309	58.9
300.70200	2.2
323.25711	2.6
339.25079	3.1
341.26974	15.7
357.26410	5.6
387.47955	2.0
519.31805	100.0
520.32092	5.4
562.12244	4.0
563.13678	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	563.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33624	0.4
54.86218	0.4
57.03433	0.5
58.00588	0.5
59.01378	19.9
66.95925	2.5
67.07233	0.4
69.03452	0.7
71.01382	17.8
73.02943	3.7
81.03480	0.4
82.95414	100.0
83.01368	0.7
85.02953	2.9
85.63503	0.4
87.00860	0.8
89.02444	24.3
91.28125	0.4
98.21841	1.6
99.00844	0.5
101.02438	10.4
113.02457	4.3
119.03510	2.6
121.02994	0.4
123.00893	0.6
123.08208	0.5
124.01632	0.9
125.02444	3.5
131.03511	9.2
142.48215	0.5
143.03474	0.5
149.02527	0.8
149.04558	21.7
150.04877	0.4
161.04578	0.6
162.03236	0.4
163.11302	1.2
165.01868	0.6
168.00661	0.7
169.01398	1.6
179.05624	1.4
187.15189	0.4
191.05594	4.0
192.00627	8.7
193.01401	12.3
194.02187	0.8
205.01453	0.6
205.12329	4.7
207.02969	2.2
211.02496	1.8
234.01620	1.2
235.02510	1.1
249.04207	0.7
271.04605	0.5
293.08878	1.4
312.04913	0.8
313.05606	0.8
322.07193	0.5
479.08292	27.5
480.08356	0.7
517.22888	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	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
61.98832	4.2
63.60941	0.5
65.00360	0.6
69.11190	0.6
69.21362	1.0
69.21768	2.5
71.01380	1.4
71.07804	0.6
83.01369	0.8
87.00835	0.6
95.01375	1.3
97.02937	1.1
98.21860	1.0
101.06071	6.7
105.03458	0.9
107.01379	2.9
107.05020	2.0
109.02943	1.1
111.00874	1.0
115.46919	0.6
117.03429	0.6
118.12261	0.6
119.05017	1.2
121.02941	1.4
123.00885	3.6
124.01661	7.0
125.02446	12.1
132.02138	0.7
133.02960	2.1
135.04512	2.0
137.02432	2.6
138.03230	0.6
139.00302	1.4
139.03979	2.5
140.01166	0.9
145.02927	5.1
146.03769	1.3
147.04539	1.5
148.01685	1.1
149.02454	2.8
149.99547	1.1
151.00362	0.6
160.01720	0.7
161.02426	10.4
162.03215	5.9
163.03960	3.5
164.01147	1.0
165.01894	3.8
166.99860	1.4
167.03416	0.7
168.00638	6.9
169.01421	9.0
172.05333	0.7
173.02444	3.5
174.03152	0.9
175.04036	0.8
177.01950	3.2
177.05518	1.1
179.03458	1.4
183.02968	5.0
187.04016	0.8
189.01900	3.4
190.02719	10.1
191.03496	9.8
192.00665	8.0
193.01378	7.5
201.11263	1.5
203.03394	1.4
203.89723	0.6
205.01414	7.7
205.05154	1.2
206.02208	10.4
207.02972	17.4
211.02475	5.7
215.03506	1.2
217.01381	0.9
219.02850	0.9
220.03777	1.7
221.04500	1.6
225.03943	0.9
232.03732	1.5
233.00876	1.7
233.04486	1.1
234.01688	21.1
234.78529	0.6
235.02469	19.1
236.02763	0.9
246.01707	1.9
247.02649	0.9
249.03990	8.3
258.01706	0.8
264.02768	1.1
265.20020	0.7
276.02701	1.7
277.03528	3.9
279.05011	1.0
291.05051	0.9
294.03815	3.0
295.04382	3.6
309.06207	3.3
315.74655	0.7
340.53107	0.6
373.19827	0.8
396.10818	0.9
397.11404	10.2
411.12823	3.8
455.35690	0.6
461.07187	4.7
548.11597	1.8
563.14001	100.0
564.14594	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	563.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88853	2.0
54.54304	2.0
56.20502	1.7
59.01377	100.0
69.20587	7.9
69.20992	3.7
71.01382	60.7
73.02957	6.8
73.60148	2.3
77.35747	2.0
83.01380	2.4
85.02954	25.5
87.00861	2.3
89.02444	69.8
93.03455	3.6
95.01385	5.4
98.22635	3.2
99.01000	1.8
101.02445	30.0
108.02142	11.8
109.02952	31.0
111.04520	5.7
113.02436	23.3
119.03506	22.2
121.06657	2.1
131.03505	2.7
137.09717	18.3
143.03474	4.7
161.04532	20.8
178.24574	2.1
179.05614	17.5
191.05612	31.7
219.71538	2.0
229.07205	2.0
251.47278	1.9
255.08795	8.4
271.08255	8.3
298.66718	2.5
339.10776	4.9
365.12180	12.6
467.79236	2.3
468.07819	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	563.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68826	1.8
59.01367	8.7
61.98825	4.9
70.06824	2.1
80.02661	3.1
81.03439	3.1
83.05016	8.8
84.02151	2.0
97.02949	3.3
107.18320	2.2
109.06591	19.4
118.07053	2.2
125.09731	4.3
157.90727	2.1
161.09724	4.0
163.11272	17.5
181.12361	3.4
184.45891	2.4
185.11801	5.3
189.09322	3.0
195.31287	2.2
207.08315	2.8
207.10239	44.8
209.09802	4.8
209.11810	100.0
225.11276	29.2
227.12851	11.5
287.81085	2.0
299.15002	4.7
355.00668	2.5
365.58594	2.6
399.22006	3.3
461.00690	2.3
461.07977	2.6
465.24188	2.6
473.25406	4.6
509.27734	2.5
510.28229	3.2
551.09442	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	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01274	0.7
55.01868	1.9
56.03095	0.9
57.03435	1.4
58.00554	1.0
59.01377	61.8
61.72002	0.9
61.98825	10.1
69.30999	3.9
71.01381	42.1
72.99290	1.6
73.02946	11.0
82.95422	2.6
83.01389	4.7
84.95113	1.7
85.00425	2.2
85.02946	15.7
87.00875	6.3
89.02438	31.3
95.01385	2.2
99.00874	2.5
101.02439	33.4
113.02439	18.7
119.03502	12.6
125.02441	2.3
131.03464	3.7
143.03520	2.1
149.04555	7.0
159.02977	2.2
161.04564	12.4
179.05658	1.3
191.05600	1.6
371.20734	53.4
372.21091	1.4
415.19296	1.1
503.24979	100.0
504.25281	6.3
526.78094	0.8
563.21820	0.9
563.32288	2.7
580.12787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94324	0.2
57.03452	0.2
57.77923	0.2
59.01374	1.5
61.01800	0.2
61.98826	100.0
69.52710	0.1
70.67086	0.4
71.01375	1.1
72.01730	0.2
72.70650	0.2
73.02950	0.3
79.61746	0.2
85.02981	0.3
89.02434	1.3
94.63821	0.2
101.02457	0.6
113.02430	0.3
116.92853	0.4
118.28310	0.2
119.03598	0.2
119.57814	0.2
125.02454	0.8
131.03458	0.3
133.03946	0.2
135.80450	0.2
148.48233	0.2
149.04565	0.4
161.02432	0.3
161.04643	0.3
169.01427	0.3
192.00652	0.3
193.01404	0.4
207.02919	0.3
234.01813	0.2
235.02483	0.3
237.79407	0.2
308.57690	0.2
402.22046	0.2
504.25104	0.4
565.11938	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	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54125	0.1
59.01381	2.1
60.01711	0.3
61.01793	0.2
61.98829	100.0
69.20104	0.3
69.20514	0.5
71.01379	1.2
72.01722	0.2
73.02936	0.2
83.01385	0.1
85.02936	0.3
89.02433	1.5
90.02801	0.3
91.02866	0.2
97.44677	0.1
98.21735	0.2
101.02428	0.7
102.02834	0.2
113.02486	0.2
116.92860	0.2
119.03522	0.3
125.02480	0.2
126.02842	0.1
131.03526	0.3
145.02911	0.2
149.04543	1.1
150.04932	0.2
151.05046	0.3
169.01439	0.4
170.95135	0.2
173.93187	0.2
272.04880	0.2
312.88251	0.1
418.12286	0.2
491.24985	0.2
529.26678	0.3
564.14471	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	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10196	0.4
56.00101	0.3
58.78248	0.3
59.01379	1.8
61.98828	100.0
68.52715	0.4
71.01385	1.4
71.44910	0.3
71.45296	0.3
85.02968	0.4
89.02464	1.1
93.03477	1.3
95.35567	0.3
96.96027	0.7
101.02426	0.9
113.02525	0.4
116.92883	0.3
149.04593	0.5
176.82620	0.3
179.72188	0.3
181.08348	0.3
190.89854	0.4
213.05618	1.2
301.73209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97915	0.3
59.01353	0.7
60.58282	0.2
70.69497	0.2
71.01353	0.6
89.02431	0.6
98.76923	0.3
99.92581	9.0
109.02953	0.3
116.92858	100.0
117.92883	2.7
121.40443	0.2
125.02429	0.3
151.00310	0.3
151.03963	0.4
233.28119	0.2
255.03049	0.8
256.03284	0.3
271.02420	1.1
300.02814	1.5
301.03522	1.0
311.48453	0.3
342.04416	0.3
357.13553	0.4
447.09100	1.7
540.86011	0.3
547.01813	1.4
565.13812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15104	0.5
51.78961	0.5
59.01384	5.1
61.98827	0.8
65.00327	0.7
68.99581	1.5
69.28047	1.8
69.28454	1.5
71.01382	4.3
73.02954	1.0
83.01395	0.8
84.95145	0.9
85.02981	1.3
87.00861	0.6
89.02420	2.7
93.03457	0.8
95.01390	1.2
96.95997	1.0
99.00893	0.5
99.80482	0.6
101.02458	2.6
107.01402	1.7
108.02215	1.7
109.02962	1.1
112.98586	1.9
113.02467	2.0
119.03483	1.2
121.02896	0.5
123.04623	0.5
125.02444	1.6
131.03505	1.2
136.07907	0.6
148.01668	1.5
149.04572	1.6
151.00352	4.5
159.04477	0.6
161.02437	0.6
161.04541	0.9
163.00345	0.6
169.01465	1.5
178.99922	3.3
179.05632	1.0
191.05653	1.0
198.58922	0.5
216.04366	0.8
223.09767	0.9
226.02817	1.1
227.03461	1.9
243.02971	10.0
245.29112	0.6
252.78653	0.6
254.02193	1.9
255.02962	22.1
256.03354	0.7
260.89490	0.6
271.02472	50.5
272.02985	3.1
273.00375	2.4
299.01965	2.1
300.02737	100.0
300.99997	1.2
301.03381	9.1
327.10269	0.8
343.08368	0.7
360.13348	0.6
385.10406	1.8
513.98376	0.6
518.22864	0.6
565.11884	73.1
566.12250	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	565.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44954	1.2
58.00583	1.3
59.01380	60.3
64.79022	1.1
67.05518	1.1
69.25699	5.4
71.01382	27.9
72.56581	1.2
73.02940	1.4
83.01354	1.3
84.95129	3.4
85.02954	6.4
89.02451	28.8
95.01424	3.2
99.04525	4.9
100.69302	1.1
101.02440	15.1
112.95520	1.3
113.02446	14.3
119.03516	12.2
124.05294	3.2
131.03470	1.3
133.10294	1.8
135.04518	3.9
135.11794	5.2
143.03491	1.3
145.42691	1.3
147.11880	1.2
149.04558	2.1
161.04605	3.6
161.09735	9.0
179.05635	10.1
179.10788	41.3
192.00438	1.3
203.10820	1.6
205.08771	2.2
221.11818	1.6
223.09756	100.0
226.43184	1.1
265.10794	5.9
321.11856	1.2
325.12527	1.8
359.16974	2.3
385.15063	19.7
403.16077	80.5
445.17010	2.4
473.70871	1.3
540.52313	1.4
565.21490	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	565.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64182	1.8
57.03446	2.6
57.44556	2.0
58.13220	2.2
58.65890	2.0
59.01377	64.6
61.98833	7.9
68.57711	1.9
70.41221	4.4
71.01378	48.2
73.02949	11.2
83.01354	3.6
85.02938	15.0
87.00864	3.8
88.45528	2.1
89.02444	33.8
95.01349	3.0
96.57443	2.0
98.22564	2.9
99.00912	2.7
101.02446	35.1
109.02944	3.4
113.02453	16.0
113.30434	2.1
116.92843	3.6
119.03493	9.5
125.02451	4.9
131.03506	5.1
149.04553	6.5
159.02936	2.2
161.04552	17.7
169.01375	2.5
275.49643	2.3
329.22794	3.2
346.38724	2.0
373.17615	4.1
373.22318	69.8
385.25937	6.7
403.27097	10.0
414.82574	2.4
505.26526	100.0
506.26401	7.3
565.31122	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	567.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	8.3
60.88723	1.8
70.98543	2.2
71.01387	11.5
71.52283	2.3
75.00851	4.6
83.01380	9.1
84.59179	2.4
85.02917	2.5
87.00869	17.5
94.25092	2.1
96.95995	5.1
99.00893	2.8
109.02945	14.2
111.00858	11.5
113.02503	2.4
113.99558	4.9
115.00371	49.6
122.03741	2.7
123.00866	3.4
125.02467	4.7
126.90401	2.4
128.01135	2.8
133.02966	2.9
135.04529	10.1
139.00357	21.0
146.03748	2.1
149.02495	5.6
149.06058	2.2
150.03160	3.2
155.03377	2.9
156.00667	13.1
157.01410	27.6
161.02431	3.8
163.03932	3.2
169.01485	4.7
171.04485	2.3
173.02420	2.4
174.01740	24.1
174.03174	3.7
175.02487	48.6
175.03917	4.3
177.01900	4.2
177.05566	2.8
190.02573	2.3
191.03511	9.4
191.05576	9.8
193.05052	38.8
201.01929	6.3
203.03606	5.2
205.01459	3.1
205.05006	3.6
206.02211	6.9
207.06604	16.5
219.02998	2.5
219.06673	2.8
223.06079	4.0
231.06483	3.1
233.04524	20.3
234.05222	15.4
247.06146	3.1
251.05695	4.3
275.05618	6.0
279.05270	3.7
279.08759	4.1
289.07132	8.6
300.99951	10.8
307.08224	100.0
309.05994	5.9
413.10947	3.9
451.12411	5.9
469.13507	65.1
471.11386	28.5
495.11176	5.7
513.12421	37.4
531.13434	4.4
567.11755	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	567.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
61.98821	2.8
63.65359	0.8
64.37246	0.9
71.01363	2.6
73.02948	2.1
81.03455	2.3
85.02914	1.7
88.56692	0.8
89.02428	1.1
93.03455	1.1
95.01377	7.2
101.02446	1.7
103.95409	0.9
107.01395	4.1
107.67889	0.8
108.02222	1.1
109.02960	2.9
109.28501	0.9
113.02442	1.2
119.05091	0.9
121.02914	1.2
123.00880	6.3
124.01659	3.6
125.02449	13.9
135.00871	1.1
137.02434	4.6
137.55814	1.0
141.01913	1.0
141.94603	1.0
143.02217	0.9
145.02985	1.3
149.02388	1.6
149.99579	39.4
151.00372	24.8
163.00304	1.3
165.01889	3.1
166.99850	1.4
168.00639	11.9
169.01427	9.1
174.32292	1.0
177.01941	0.9
179.03598	1.1
184.18289	0.9
193.01402	4.6
207.13844	1.3
287.90753	0.9
459.11432	100.0
460.11731	3.4
514.86133	1.1
567.24268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1717
Annotation	Foliachinenoside A1
Peak:m/z	Relative Intensity
55.01865	0.5
57.03415	0.3
58.73919	0.3
59.01376	6.2
61.11544	0.3
61.98802	0.4
65.00329	0.5
67.01869	1.4
68.99847	0.3
69.03445	0.8
69.37968	1.5
71.01009	0.5
71.01380	7.0
72.99271	0.4
73.02945	3.0
78.01083	0.3
79.01874	1.7
81.03445	0.5
82.05216	0.3
83.01394	2.2
85.02952	4.5
87.00876	0.8
88.98794	0.5
89.02431	0.8
91.25692	0.3
95.01392	2.3
97.02926	1.2
99.00861	0.8
101.02435	5.1
103.03983	0.4
107.00716	0.3
107.01387	4.4
109.02930	1.2
110.00108	0.5
111.00879	1.6
113.02436	3.0
116.92835	1.0
117.83357	0.3
117.92815	0.3
123.00882	23.1
124.01665	11.1
125.02438	15.6
127.00354	0.6
132.16449	0.3
135.00845	0.9
135.04463	0.4
136.98801	1.3
139.00371	3.6
139.03955	0.4
139.11307	0.9
140.01138	2.7
141.01926	4.4
143.03471	0.4
149.02373	0.4
151.00366	14.4
153.01877	0.9
161.04552	1.6
163.03999	0.4
166.02623	0.4
168.00635	4.1
169.01418	17.4
170.01701	0.6
179.03485	0.3
181.12320	0.7
183.10202	1.0
225.11215	0.7
243.12350	2.6
269.10150	0.6
297.05988	1.5
397.56470	0.3
405.17563	0.3
459.11267	1.2
567.17053	100.0
568.17560	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	567.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26892	0.6
53.15707	0.5
55.01885	0.9
57.03434	0.8
57.68121	0.5
57.99791	0.6
59.01376	7.3
61.98822	1.8
69.26910	1.8
69.27345	1.7
71.01384	8.6
73.02946	3.7
78.33065	0.6
83.01385	2.3
85.02950	5.0
87.00865	0.7
89.02414	0.7
93.03472	1.8
95.01404	1.0
97.02948	0.7
98.22617	1.2
101.02437	7.5
106.04254	4.0
107.04993	0.7
108.02171	9.8
109.02950	14.3
113.02453	3.4
113.03164	0.6
113.06129	0.7
117.03465	20.1
119.05014	19.9
121.02927	0.7
125.02482	0.9
131.04985	0.8
133.06577	1.2
134.03737	46.2
135.04152	0.7
145.02948	100.0
146.03290	1.3
148.05310	4.8
149.06071	59.7
161.04532	3.2
161.06056	2.6
163.03999	13.3
163.06079	0.8
191.07135	3.0
205.05070	2.4
208.08966	3.3
209.09671	3.1
219.06508	1.5
236.08429	2.6
251.10707	4.4
252.07912	0.9
253.08716	1.7
270.50507	0.6
295.09720	41.8
296.10208	0.9
307.08145	7.5
309.11038	0.8
313.10989	3.7
337.10788	4.6
351.12311	0.8
355.11932	1.8
361.12994	6.4
379.11707	5.9
397.12982	2.4
417.11884	44.1
418.12344	1.2
439.13843	5.6
445.15100	1.4
457.15063	1.2
487.12598	0.6
507.18570	9.7
549.17651	13.0
567.18561	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	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.16901	0.5
57.03449	1.4
59.01379	23.2
61.98830	3.2
69.03446	0.6
71.01380	24.7
72.99319	0.9
73.02943	10.2
81.03436	0.8
83.01388	7.0
85.02951	10.8
87.00889	1.0
89.02451	4.1
93.03458	2.7
95.01395	2.3
95.59494	0.5
97.02943	1.7
98.21895	1.3
99.00875	3.9
101.02454	18.3
103.03344	0.6
103.04025	2.2
104.41625	0.5
106.04243	4.1
107.05042	1.0
108.02178	8.6
109.02956	14.5
113.02457	8.6
117.02630	1.0
117.03467	21.5
119.03535	1.5
119.05025	20.8
119.05897	0.9
121.06622	0.6
123.04524	1.0
125.02447	3.0
129.39897	0.5
131.05006	1.0
133.02847	0.7
133.06606	1.6
134.03746	51.4
135.04086	0.9
143.03503	1.2
143.05038	0.7
145.02959	100.0
146.03296	2.3
147.04546	1.0
148.05299	5.7
149.06084	63.1
150.06456	1.0
151.03954	0.7
159.02968	1.6
161.04555	10.2
161.06078	2.3
163.04012	11.9
163.06145	2.3
169.01564	0.6
175.04054	0.8
187.04031	0.6
191.07094	3.9
205.05090	2.9
208.08850	2.5
209.09723	2.3
213.83307	0.5
219.06616	2.2
229.07239	0.6
236.08366	3.5
247.08240	1.3
250.40573	0.5
251.10724	3.6
252.07741	0.6
253.08751	1.3
295.09750	37.7
296.10190	1.0
307.08133	7.8
307.10938	0.6
313.10922	4.1
337.10815	5.0
351.12466	0.8
355.11838	1.6
361.12955	19.1
362.13351	0.6
379.11771	5.3
397.12927	2.1
417.11911	41.4
418.12238	2.1
439.13925	5.4
445.15045	1.5
457.15131	0.5
473.14410	0.6
476.17157	0.5
507.18692	32.6
508.19138	1.7
542.85779	0.6
549.17633	9.7
550.17651	0.7
567.18237	7.0
567.25250	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	567.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
58.00594	1.1
58.10833	0.9
59.01377	46.8
61.90574	0.8
69.34933	0.9
69.35231	4.4
71.01374	13.9
72.99308	1.1
73.02934	7.0
83.01390	0.9
85.02927	4.2
89.02441	15.4
89.02945	1.5
95.01395	2.0
95.05038	1.9
97.02921	1.5
98.22616	1.6
99.04489	1.5
101.02435	12.6
113.02451	8.9
119.03501	6.0
121.02912	1.1
125.02457	3.6
137.06093	0.9
139.11296	9.4
143.03476	1.7
161.04587	2.7
163.11320	7.5
179.05585	5.7
181.12340	31.5
183.10251	11.8
195.13889	1.4
205.12192	1.1
207.10263	3.3
209.04549	1.0
225.11311	100.0
226.11655	3.4
239.12885	2.0
243.12340	42.7
244.12769	1.3
246.96144	1.0
249.11407	2.2
267.12408	4.6
285.13406	18.7
297.13660	1.1
327.14493	2.5
387.16583	15.8
405.17599	33.6
406.18036	1.2
447.18625	3.2
507.20679	5.3
549.21735	1.8
567.14539	1.5
567.22894	17.0
567.30219	0.9
568.23608	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	567.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03455	1.3
58.00610	2.0
59.01379	58.5
69.87798	2.1
69.88133	1.3
71.01381	28.7
71.01777	1.4
73.02944	5.6
82.56281	1.0
83.01384	1.7
85.02939	9.2
87.04514	2.8
89.02444	28.4
95.01398	2.7
95.05011	1.9
99.04506	5.3
101.02434	14.8
113.02444	15.8
119.03523	7.8
123.59155	0.9
161.04622	2.6
163.11288	10.8
177.12833	1.0
179.05608	5.7
181.12323	30.9
195.13951	2.2
196.64236	0.9
207.10275	4.1
218.41867	1.0
223.13371	1.1
225.11319	100.0
226.11609	1.8
239.12849	6.3
243.12370	3.1
249.11417	1.2
266.03854	1.0
267.12317	16.0
369.15643	1.5
387.16617	5.7
388.76453	1.2
405.17648	99.8
406.18094	3.9
419.24506	1.0
447.18738	15.4
448.18649	1.4
507.20920	2.9
533.41003	1.1
549.21747	1.8
553.76331	1.1
567.22925	25.8
567.31732	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	569.0724
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
59.01358	4.5
61.98833	13.5
65.00303	3.3
67.66634	2.0
71.01338	6.8
72.54559	1.8
73.02917	5.9
83.01383	3.5
85.02927	2.7
89.02409	2.6
95.01403	2.3
97.32034	1.9
101.02415	3.2
107.01368	10.4
108.02142	4.4
109.02964	12.8
113.02434	2.3
117.03403	2.4
119.05011	4.1
123.00828	5.9
124.01606	5.5
125.02464	16.7
133.02861	7.6
139.00346	2.5
145.02863	9.4
151.00375	18.5
151.03932	2.7
154.30510	2.2
163.03929	4.7
168.00560	2.9
169.01442	15.2
193.01328	4.6
213.89491	1.9
239.03410	9.5
255.02728	2.6
255.15819	9.3
263.03381	2.2
281.04355	5.4
283.02240	3.5
285.03766	6.8
305.04141	2.5
323.05481	2.6
347.05310	8.0
371.24216	5.6
389.06546	4.7
391.04562	38.1
415.04068	5.7
417.05710	9.8
433.05707	11.6
459.03348	4.2
479.08102	2.6
499.37247	2.2
569.06561	100.0
569.26056	25.9
570.06934	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	569.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
59.86671	0.7
60.99309	3.5
69.13551	3.4
88.98802	23.7
96.54120	0.6
121.02988	0.8
123.00842	1.8
124.01665	3.6
125.02440	6.9
137.02477	1.1
139.03993	1.1
149.02400	2.4
149.79988	0.6
154.36520	0.7
161.96991	0.7
162.03145	0.8
164.01173	1.6
165.01955	2.8
166.02679	1.3
167.03441	1.5
168.00642	2.5
169.01404	6.1
178.02710	0.7
179.03500	1.4
183.03009	0.9
190.02733	1.8
191.03487	1.6
192.00644	32.1
193.01402	44.5
194.02158	4.5
194.57578	0.7
195.02945	0.8
205.01370	1.3
206.02174	1.2
207.02971	9.9
211.02481	7.1
221.01015	1.0
222.01581	1.5
223.02504	1.1
234.01718	5.2
235.02513	5.2
237.04076	1.0
249.04088	1.9
271.04547	2.1
312.04883	3.0
313.05569	4.0
327.07120	2.3
370.40518	0.8
448.83386	0.8
464.05951	1.1
479.08298	100.0
480.08542	4.9
510.40344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.6
60.99304	5.1
69.72494	0.5
71.01372	1.5
75.53587	0.6
88.98265	1.2
88.98806	24.0
89.02435	0.9
107.01393	1.1
121.02913	0.7
123.00901	1.7
124.01660	4.1
125.02426	7.0
126.20039	0.6
135.04507	0.7
137.02449	0.7
144.45804	0.6
146.29536	0.6
147.17831	0.6
149.02428	3.0
160.51703	0.6
161.02417	1.0
164.01166	2.5
164.14333	0.6
165.01962	3.0
166.02655	1.2
167.03471	0.6
167.31708	0.6
168.00601	1.7
169.01419	7.1
181.12428	1.2
182.12744	0.7
190.02733	1.7
192.00647	32.5
193.01411	44.7
193.66466	0.6
194.02158	3.6
205.01366	1.5
206.02180	1.6
207.02965	10.7
209.00778	0.7
211.02464	9.3
221.00900	1.2
222.01733	1.7
223.02583	0.7
225.11375	3.6
226.11685	2.1
234.01714	4.9
235.02478	3.9
249.04047	2.1
263.76093	0.7
271.04605	2.5
312.04889	4.3
313.05591	3.2
322.95895	0.8
327.07135	1.8
405.17291	0.8
406.17633	1.0
407.18161	1.4
464.06082	0.8
479.08307	100.0
480.08603	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	569.13
Annotation	cudranian 2
Peak:m/z	Relative Intensity
58.33481	0.2
59.01367	0.5
61.98845	0.4
65.00327	0.3
67.01895	0.6
69.03449	0.8
69.09887	1.2
71.01382	1.5
73.02939	0.3
78.01108	0.8
79.01895	1.2
79.82137	0.2
81.03452	1.0
82.00591	0.4
83.01377	0.3
85.02950	0.6
86.00095	0.3
87.00898	0.5
93.03459	0.5
95.01381	1.7
96.99304	0.2
97.02947	1.2
99.00876	0.3
101.02466	0.4
107.01384	6.5
107.05016	0.2
108.02180	5.1
109.02208	0.5
109.02956	8.7
110.00102	0.3
111.00877	2.0
112.35187	0.2
113.02455	0.7
116.92867	0.3
117.03458	5.3
119.05025	10.6
121.02914	0.4
123.00885	11.5
124.01663	13.5
125.02445	35.1
126.02791	0.4
127.00375	0.9
132.65097	0.2
133.06573	0.2
134.03709	0.3
136.98807	1.3
137.02408	0.3
139.00360	3.0
140.01169	3.1
141.01947	1.8
145.02950	30.2
146.03288	0.4
147.04514	0.3
149.02423	0.2
151.00362	4.2
151.04062	0.3
151.95464	0.2
153.01935	0.7
154.99815	0.3
159.04469	0.4
161.04567	0.2
161.06123	0.4
163.04004	10.8
165.01933	0.3
166.99899	0.2
167.03571	0.2
168.00652	3.9
169.01422	37.3
170.01781	0.8
173.06024	0.2
175.03984	0.4
179.03535	0.6
187.03952	0.5
192.00607	0.4
193.01456	0.4
205.05072	0.3
211.02414	0.3
247.05801	0.2
295.04596	0.6
307.08191	2.1
313.05573	0.7
371.24399	0.5
399.10883	0.3
417.11969	2.6
418.12207	0.3
423.09335	0.9
443.09702	0.3
459.09262	2.7
569.12970	100.0
570.13428	6.2
570.22296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98816	0.4
67.01881	0.7
69.33743	1.2
71.01369	1.4
73.02934	0.7
75.11987	0.2
79.01879	1.2
79.74957	0.2
83.01418	0.2
83.10017	0.2
85.02943	1.1
88.98796	0.3
94.89469	0.2
95.01384	2.0
96.36887	0.2
97.02952	0.5
99.00890	0.3
101.02422	1.1
108.02175	4.4
109.02218	0.4
109.02954	6.9
113.02451	1.1
116.92852	0.4
117.03460	17.3
117.46932	0.2
119.05016	7.4
121.02974	0.2
123.00886	14.4
123.04514	0.2
124.01699	0.3
125.02411	0.6
131.27632	0.3
139.00354	0.7
141.01912	2.2
145.02945	100.0
146.03255	1.8
151.00362	6.4
155.10742	0.5
161.04544	0.7
161.05989	0.3
163.03999	8.3
169.01430	0.5
172.53841	0.3
177.61072	0.2
187.03993	0.4
193.99451	0.2
196.67426	0.2
205.05051	0.4
247.06195	0.3
261.04010	0.9
307.08224	6.1
405.08173	0.7
416.05377	0.2
417.11877	41.2
418.12213	1.9
423.09412	2.0
453.17465	1.9
569.12958	46.2
570.13354	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	569.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.98820	1.3
67.01868	0.4
69.50079	0.3
71.01375	2.2
71.44225	0.4
73.02942	1.0
74.24105	0.4
79.01888	1.0
81.48199	0.3
85.02947	1.3
88.98788	0.5
93.03490	0.4
95.01353	1.8
99.00908	0.4
101.02451	1.1
103.69226	0.3
108.02177	3.7
109.02958	6.1
113.02441	0.5
116.92861	5.7
117.03461	17.3
119.05022	7.3
123.00887	10.2
125.02431	1.2
138.39030	0.4
139.00334	0.7
141.01939	1.8
145.02946	100.0
146.03265	1.8
151.00371	4.0
152.66266	0.3
161.04570	0.7
161.05997	0.5
163.04018	7.3
169.01440	0.7
182.00435	0.4
187.03911	0.5
257.80606	0.4
261.04108	0.5
285.04163	0.4
307.08188	5.9
417.11880	42.7
418.12350	1.7
423.09341	1.8
569.13031	31.3
570.13519	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	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43005	0.3
61.98828	100.0
62.27272	0.3
62.86698	0.3
71.56349	0.3
78.42817	0.3
127.67821	0.3
214.41692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81599	4.7
56.22083	4.8
59.01373	18.5
61.98829	100.0
69.11723	14.1
69.12128	22.7
93.03468	17.5
109.02924	6.1
121.02959	12.1
125.02425	9.5
131.82062	5.3
137.02415	10.5
142.37914	5.9
151.00377	12.7
153.53462	5.9
171.81165	6.6
220.57263	6.2
227.07126	43.9
325.03464	13.5
343.08118	8.7
380.37268	6.2
441.71927	6.2
464.05807	5.9
552.92743	6.6
571.08728	17.4
571.16125	17.2
572.10339	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	571.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37481	1.1
56.58138	1.2
59.01375	56.0
71.01373	28.2
71.43851	1.3
85.02939	3.9
89.02444	38.4
95.01412	2.3
95.41826	1.3
99.04520	7.6
101.02438	14.9
113.02457	11.4
114.83939	1.4
117.05589	5.5
119.03502	14.0
120.25561	1.3
131.03462	1.8
143.03510	2.9
157.30956	1.4
161.04576	3.1
174.27788	1.2
179.05614	10.5
184.26042	1.4
192.00638	3.4
207.02956	3.6
279.10843	100.0
280.11118	1.5
437.54306	1.6
489.12360	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	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.98793	0.7
68.58620	0.6
70.94248	0.7
78.95899	60.6
95.81949	0.6
96.96967	13.3
112.70878	0.7
138.47307	0.8
150.98106	1.1
152.99585	54.2
162.83919	0.8
223.00092	2.6
241.01192	33.4
255.23282	70.5
256.23538	1.2
315.04782	7.6
391.22519	4.9
571.28839	100.0
572.29578	3.5
576.60181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.8
61.98820	0.6
66.32807	0.2
67.69283	0.2
69.95634	0.2
71.01385	0.7
73.02945	0.7
77.03977	0.2
85.02949	0.2
89.02457	0.8
96.68808	0.2
101.02452	1.4
103.03994	0.4
108.13029	0.2
113.36264	0.2
119.03497	0.4
121.02956	100.0
122.03280	0.9
125.02461	0.4
143.03577	0.2
145.04997	0.2
163.06133	0.9
169.01492	0.3
191.35666	0.2
205.07268	0.2
228.28114	0.2
243.49055	0.2
245.10219	0.2
249.03891	0.2
307.10434	0.5
325.79593	0.2
344.72403	0.2
351.21820	0.5
373.25952	0.3
375.27615	1.5
391.16208	1.0
513.20013	0.2
573.29779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.7
61.98827	3.4
62.34362	0.7
63.12177	0.7
63.99207	0.6
69.01983	0.6
69.37062	3.1
71.01380	4.4
72.48424	0.6
73.02953	1.5
82.95429	0.8
85.02986	0.8
87.00880	0.8
89.02435	3.1
95.01396	0.8
96.95999	1.3
96.99287	0.8
98.22617	1.3
101.02443	2.5
109.02970	0.7
113.02441	1.4
119.03478	1.2
121.02954	72.1
121.67873	0.7
122.03294	0.8
124.01662	0.9
125.02432	0.8
135.08177	0.7
157.50320	0.7
161.04536	1.7
169.01424	1.6
179.05579	1.0
185.11737	1.3
186.51154	0.8
259.71329	0.7
301.00195	0.8
329.23367	1.1
339.16595	0.8
341.10800	2.4
351.21756	1.5
357.26456	2.9
373.25885	4.2
375.27490	100.0
376.27719	4.2
417.28543	1.9
529.62061	0.8
573.30621	19.1
574.31628	0.8
601.60608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.8
61.98819	1.0
66.99307	0.9
71.01372	2.7
89.02464	2.2
101.02435	3.6
113.02454	1.6
123.57747	0.9
161.04593	1.6
168.66685	1.2
205.74631	0.9
229.37785	1.1
235.08279	1.2
253.09286	14.3
277.21713	100.0
278.21976	3.0
320.86859	0.9
321.50375	1.1
342.02563	1.0
426.86804	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	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.8
61.98834	2.0
62.71872	0.9
62.92831	1.0
71.01393	2.4
71.21289	1.3
89.02436	2.4
101.02443	3.3
106.42616	1.0
112.18597	0.9
118.97070	1.1
128.26872	0.8
133.45650	1.0
133.79733	1.0
161.04558	1.0
170.57257	0.9
235.08194	2.5
253.09256	12.6
277.21722	100.0
278.22086	3.9
371.77036	1.0
552.29681	1.0
561.00513	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	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.92469	0.1
70.96684	0.1
78.95908	0.1
103.79169	0.1
151.95401	0.1
227.12743	0.1
302.92322	0.1
307.66284	0.1
575.10767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13862	0.7
59.01373	3.7
60.05560	0.7
61.98830	9.3
66.56230	0.8
69.36630	1.5
69.37021	1.9
71.01376	1.1
82.95394	0.9
98.22597	1.7
101.02402	1.0
108.02149	1.0
109.02901	1.7
113.02429	1.7
121.02945	1.5
123.00864	1.2
125.02464	5.9
151.00287	0.8
163.04030	1.6
169.01442	4.9
192.00655	0.9
213.01959	5.1
241.01408	1.4
242.02228	1.4
251.28979	1.1
256.00027	1.2
257.00885	10.4
269.00864	3.9
270.01865	1.1
271.82053	0.9
285.00339	1.9
316.03976	0.9
317.04581	1.2
333.03983	2.4
349.03418	3.5
360.02725	3.9
360.99414	0.8
361.03494	24.4
362.04004	1.5
370.77563	1.0
377.02994	25.5
378.03397	4.5
379.04535	1.5
387.28418	1.1
391.72708	1.1
406.03275	56.3
407.04053	31.6
408.04230	1.9
423.09204	4.2
449.05032	0.9
465.06815	1.8
539.08307	100.0
540.08362	5.1
571.42047	1.0
575.09875	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	575.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01485	1.0
59.01377	18.0
61.98824	6.4
64.34473	1.1
70.06635	1.6
70.06966	1.9
71.01366	4.5
73.02943	5.2
82.95400	2.7
85.02945	3.7
87.00899	1.5
87.04535	1.1
89.02438	3.5
95.46774	1.2
98.53716	1.0
101.02442	8.6
103.03999	3.0
109.02937	3.1
112.91216	1.0
113.02493	1.1
115.04009	1.3
121.02944	2.1
123.00882	1.2
125.02494	5.2
131.03470	1.3
137.02483	1.2
143.03499	1.2
148.01674	1.0
159.05603	0.9
163.06134	13.1
169.01407	9.0
205.07100	2.5
206.99855	13.1
213.01907	5.7
232.35849	1.0
241.01534	2.2
257.00882	13.6
269.00827	2.9
270.01758	2.1
289.06909	1.6
332.03094	2.0
333.03961	1.8
349.03400	4.3
360.02670	3.6
361.03555	21.3
362.03714	1.9
376.98535	1.9
377.02988	26.6
378.03870	5.6
379.04599	2.3
406.03241	52.7
407.04041	44.0
408.04333	1.8
423.09183	2.9
452.78717	1.3
524.53772	1.4
539.08295	100.0
540.08331	4.0
575.09802	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	575.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56605	0.5
59.01381	1.0
64.09187	0.5
67.01895	0.8
69.03459	1.3
69.42014	1.6
71.01380	5.6
76.69012	0.5
79.01888	1.6
81.03448	1.0
83.01382	1.0
85.02956	1.8
85.66067	0.5
87.00906	0.7
95.01357	2.9
97.02962	1.7
101.02448	2.0
107.01382	11.9
108.02162	4.1
109.02956	7.6
111.00890	1.6
113.02446	2.1
123.00891	18.9
124.01665	19.2
124.37415	0.5
125.02446	65.4
126.02824	0.8
127.00364	0.6
136.98828	0.7
137.02467	0.8
139.00357	3.7
140.01143	2.7
141.01988	3.1
143.03467	0.6
149.02423	0.6
151.00377	11.6
151.04066	0.8
153.01915	1.3
163.03999	0.7
165.01837	0.5
166.99881	1.7
167.03424	1.0
168.00645	9.7
169.01428	89.5
170.01778	1.5
179.03505	1.4
181.01392	1.0
191.03500	0.7
193.01451	2.4
201.05597	0.6
211.02435	2.8
223.02426	1.7
237.03931	0.6
241.03540	0.9
253.03491	1.1
295.04504	2.2
296.08212	0.6
297.06250	3.1
313.05658	23.3
314.05795	0.8
343.29727	0.5
405.08218	0.8
423.09308	50.2
424.09641	2.0
465.06689	35.6
466.06900	1.0
575.10394	100.0
576.10693	5.0
578.65637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1038
Annotation	2,6-di-O-Galloylarbutin
Peak:m/z	Relative Intensity
53.55891	0.7
59.01346	0.8
69.03456	1.4
71.01374	4.7
72.99272	0.7
73.02958	0.9
79.01894	1.0
81.03444	1.6
83.01395	0.8
85.02956	1.5
86.50343	0.6
95.01386	2.4
97.02978	1.8
100.29063	0.6
101.02451	1.9
107.01402	9.3
108.02172	3.0
109.02934	7.0
110.35979	0.6
111.00880	1.0
111.66010	0.7
113.02447	1.8
123.00890	15.7
124.01656	17.3
125.02445	61.3
126.02771	1.1
136.98790	0.9
137.02405	1.0
139.00388	4.2
140.01151	1.9
141.01938	2.7
149.02478	0.9
151.00371	13.6
153.01907	0.9
163.04070	0.8
165.01869	0.8
166.99870	1.1
167.03482	1.1
168.00645	9.7
169.01421	100.0
170.01747	1.6
179.03545	0.9
193.01404	3.1
195.02957	0.7
199.50298	0.6
207.02885	0.7
211.02463	4.1
223.02357	1.2
237.04039	1.0
241.03598	1.1
253.03595	2.4
295.04645	1.6
297.06210	3.3
313.02017	1.3
313.05646	26.3
314.06161	1.0
405.08142	1.0
423.09302	49.6
424.09503	2.0
465.06708	36.0
466.06985	1.5
511.43921	0.7
575.10419	71.5
576.10596	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	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68842	0.7
55.01878	1.5
57.03447	10.9
58.00599	1.4
59.01377	100.0
60.73834	0.6
61.98823	2.0
69.03450	6.1
71.01379	42.7
72.99307	3.9
73.02944	23.8
81.03446	3.6
83.01392	4.8
84.95114	1.0
85.02949	18.2
87.00885	3.2
87.04536	1.3
88.59389	0.7
89.02444	28.5
95.01409	2.6
96.95995	1.2
97.02956	8.0
99.00903	2.1
99.04520	0.8
101.02442	42.3
103.04013	30.1
109.02972	2.1
109.06605	1.4
113.02440	3.4
115.04025	2.9
119.03501	19.7
119.04320	1.5
123.00925	1.0
123.37908	0.8
124.01714	0.8
125.02445	37.2
126.90465	0.9
127.04040	3.5
131.03464	1.8
137.09734	2.9
139.07674	0.7
143.03494	4.7
145.05064	6.7
161.04617	1.7
163.06125	38.4
169.01433	3.9
191.05644	0.8
192.11519	5.4
198.79936	0.7
199.69804	0.7
205.07133	3.8
207.13904	23.2
244.81113	0.9
247.08228	9.3
261.08740	0.7
265.09180	1.1
289.07065	1.4
301.00323	0.7
307.10345	28.2
327.98868	0.8
343.01416	0.9
356.89584	0.7
383.00809	3.8
423.09473	3.3
465.07370	1.1
488.34378	0.9
515.25220	2.0
516.18884	0.8
575.10260	5.3
575.27600	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03447	7.8
58.00584	1.7
59.01378	100.0
61.14886	1.1
61.98822	3.5
69.03446	4.4
71.01379	39.6
72.99309	2.8
73.02945	23.3
81.03456	5.1
83.01382	4.1
84.95145	1.5
85.02940	17.4
87.00874	3.2
89.02443	31.8
96.96019	1.7
97.02955	8.3
99.00851	2.0
101.02442	41.7
103.04013	30.9
113.02432	3.9
115.04028	2.2
119.03500	16.7
124.01677	1.6
125.02450	36.9
127.04008	3.9
137.09694	1.9
143.03488	4.9
145.05055	5.7
161.04494	1.2
163.06122	38.8
169.01442	7.2
192.11577	4.1
205.07251	4.1
207.13904	21.4
247.08257	8.6
276.97787	1.4
285.04056	1.7
289.09601	1.5
307.10364	26.2
313.00183	1.7
335.49960	1.3
383.00894	8.5
394.62491	1.4
423.09430	5.4
515.24762	2.6
541.80829	1.4
575.10437	6.1
575.28473	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	575.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31373	2.4
59.01374	18.8
61.98836	18.9
61.99110	3.9
69.30016	14.0
71.01377	12.6
73.02924	7.0
77.48203	2.8
82.95393	9.1
83.01397	3.0
85.02944	9.6
85.30415	2.9
89.02454	4.9
101.02438	10.5
101.39607	3.1
109.02982	4.2
113.02428	5.2
125.02434	16.8
152.96947	3.0
158.52225	2.9
161.04639	3.8
169.01466	19.3
224.50594	2.6
313.05789	3.6
353.23236	10.3
377.25479	3.2
413.21799	5.2
423.09216	9.8
465.06601	3.9
466.17368	2.9
503.29156	2.9
515.24811	3.9
539.30743	100.0
540.30475	4.3
575.10834	16.2
575.20050	3.8
575.28442	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98829	100.0
67.83149	0.2
71.01384	0.9
72.10037	0.2
82.95437	0.2
85.02947	0.3
89.02442	0.5
92.22611	0.2
101.02442	0.4
121.02955	2.6
122.03297	1.0
125.02493	0.4
136.81779	0.2
154.99846	0.2
156.03758	0.2
156.39633	0.2
169.01476	0.5
170.01695	0.3
194.69591	0.2
205.91795	0.2
207.13879	0.3
209.11932	0.5
380.83829	0.2
424.09781	0.3
559.71906	0.2
560.21942	0.5
576.10956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45054	0.6
55.63899	0.5
61.98827	100.0
69.12763	2.3
69.13174	1.2
69.48009	0.6
80.96505	0.8
91.00467	0.5
92.01995	0.6
98.35298	0.6
138.80214	0.5
181.82588	0.5
222.72089	0.6
288.39267	0.6
326.20868	0.6
435.47626	0.6
577.27191	0.9
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
61.98827	100.0
71.43777	0.5
80.96510	0.7
92.94574	0.4
108.61044	0.4
123.35598	0.4
223.11409	0.5
372.98453	0.5
377.96323	0.4
566.55615	0.5
577.27026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.98826	0.3
69.86265	0.5
71.01379	3.6
73.02943	0.4
79.95735	2.3
83.01389	0.2
85.02962	0.7
89.02442	4.2
90.02541	0.2
96.96006	100.0
98.21921	0.3
98.95589	1.3
98.96455	0.2
100.93372	0.4
101.02425	2.3
109.02933	0.5
113.02446	0.7
115.92069	0.6
117.03488	0.2
119.03488	0.5
123.00857	0.4
124.01658	0.3
125.02444	1.4
131.03503	1.5
134.42477	0.2
149.04541	3.1
155.03493	0.3
161.04498	0.2
163.11290	0.2
169.01431	0.9
174.03291	0.2
175.04132	0.2
191.05528	0.9
192.00630	0.7
193.01404	0.7
198.27980	0.2
201.01961	1.0
205.01224	0.2
205.12315	0.8
217.01355	0.2
218.02196	0.3
229.01378	0.6
242.96005	0.3
245.00885	0.3
261.04083	1.1
261.97818	0.4
273.00412	0.7
277.03568	0.3
289.97424	1.0
293.04672	0.8
293.08664	0.4
299.98990	1.2
305.03024	5.2
315.01605	1.2
320.99103	0.2
383.92325	0.2
385.19138	0.3
398.94434	0.6
411.49802	0.2
413.08887	0.5
425.04065	1.2
425.09869	0.5
445.89767	0.2
479.08383	1.5
517.03040	0.3
517.22894	1.3
545.09106	1.0
576.10754	0.3
577.11621	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	577.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35010	0.3
59.01076	0.3
59.01378	5.7
66.87062	0.3
69.03487	0.3
71.01383	4.7
71.20643	0.2
73.02943	0.6
79.95738	2.7
85.02953	0.6
87.00870	0.4
89.02440	5.2
96.96010	100.0
97.02979	0.2
98.22691	0.5
101.02449	3.1
102.93852	0.3
107.01374	0.7
109.03012	0.5
111.00874	0.4
113.02449	0.7
119.03516	0.3
123.00849	1.2
124.01637	1.0
125.02467	5.9
126.02802	1.6
127.02895	0.5
131.03516	2.6
139.00349	0.4
149.04552	5.3
151.00369	0.7
161.04558	0.3
168.00620	0.5
169.01422	5.7
170.01772	1.9
171.01869	1.2
191.05664	1.6
192.00658	1.0
193.01419	1.0
205.12311	0.9
211.76375	0.3
212.65140	0.2
247.96242	0.2
263.90710	0.3
279.57794	0.3
289.97528	1.5
293.08774	0.5
305.96680	0.3
308.99222	0.3
313.05698	0.3
314.05948	0.5
350.47672	0.3
365.23721	0.2
407.08862	0.4
423.09204	0.5
424.09720	1.2
425.04001	2.4
425.09875	2.0
449.55258	0.3
455.79340	0.2
464.99844	0.2
467.07440	0.4
479.08575	1.3
517.02856	0.6
517.22931	0.8
576.10675	2.6
577.11096	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.0
58.27716	1.0
69.03449	1.2
71.43863	1.7
71.69299	0.9
81.03440	2.4
83.01382	4.2
93.03468	1.4
95.05027	1.8
97.02958	4.7
107.05042	1.2
109.02946	21.1
115.00372	2.2
121.02971	3.3
123.04507	13.1
125.02446	100.0
126.02760	1.4
131.05020	1.0
133.01398	3.0
133.02931	4.3
135.04529	3.4
137.02440	16.0
139.04016	2.8
147.04468	1.4
149.02454	5.3
150.03238	2.0
151.04002	13.2
159.04517	2.8
160.05203	1.0
161.02435	27.7
161.06097	3.8
162.03073	2.5
163.00305	2.1
163.04022	2.9
164.01131	3.6
165.01962	6.4
167.03482	1.4
175.04021	10.3
175.07726	1.4
177.01875	5.1
179.03444	5.0
187.04019	6.3
188.04785	2.8
191.05602	2.3
199.03958	1.4
203.07130	10.4
205.01349	1.8
205.05026	7.2
211.04068	1.3
221.08157	1.6
227.07127	1.2
228.04362	1.4
229.05051	4.2
231.03030	1.4
243.03011	2.9
243.06648	1.2
245.04436	4.9
245.08177	12.3
247.06018	1.9
255.02954	8.3
256.03851	5.1
257.04300	1.4
268.03265	1.0
269.04422	1.9
273.04080	4.6
281.04462	4.3
285.03876	2.5
287.05594	8.8
289.07169	71.1
290.07483	2.4
299.05652	7.1
339.08875	2.6
381.09836	1.7
407.07669	62.7
408.08017	4.7
422.29611	1.2
425.08862	23.8
426.09131	1.4
451.10312	15.9
559.12842	1.4
577.13678	9.6
577.22540	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.4
61.57688	0.9
69.23618	4.8
71.01415	1.0
78.38451	0.9
80.17620	0.9
81.03453	2.8
83.01398	3.6
93.03455	1.7
95.05029	2.3
97.02953	5.2
107.05043	1.2
109.02951	21.8
115.00413	1.6
121.02962	3.3
122.03752	2.4
123.04526	16.6
125.02442	100.0
126.02800	2.2
133.01422	4.3
133.02965	3.9
135.04564	2.0
137.02440	19.5
139.04021	4.2
145.02948	1.1
147.04503	1.6
149.02463	3.8
151.03993	14.6
159.04509	4.2
160.05344	1.3
161.02443	29.3
161.03709	1.9
161.06071	4.0
162.03212	2.6
163.00397	2.8
163.03993	4.8
164.01149	5.1
165.01941	5.5
167.03520	1.1
173.06044	1.2
175.04021	9.2
175.07715	1.4
177.01909	5.2
177.05580	2.1
179.03441	5.7
185.06055	1.0
187.03999	9.0
188.04753	3.0
189.05569	1.2
191.05656	2.6
201.05653	1.4
202.06367	1.5
203.07112	10.3
205.01447	3.4
205.05032	8.6
215.03519	1.9
217.05089	1.4
219.06609	1.1
221.08200	1.8
225.05956	1.0
227.03349	1.9
227.07126	1.7
228.04301	1.1
229.05087	2.7
231.06694	1.3
243.02948	3.6
243.06635	1.1
245.04489	5.7
245.08176	14.1
247.06161	1.2
253.04935	1.7
255.02899	9.8
255.06853	1.3
256.03784	6.9
257.04565	1.8
269.04593	2.1
273.04031	4.1
281.04440	5.3
283.02487	1.3
285.04016	2.9
287.05621	11.9
289.07172	73.2
290.07489	2.5
299.05551	5.6
329.06583	2.0
339.08740	3.6
380.77545	1.1
381.09756	2.7
407.07690	65.2
408.08124	4.1
425.08792	22.5
426.09146	1.4
451.10269	17.1
577.13745	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	577.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44476	0.5
55.27518	0.5
57.03429	1.5
59.01379	3.3
61.85169	0.5
71.01379	15.7
72.99313	3.8
73.02969	0.6
80.59987	0.4
81.03455	0.4
83.01392	0.7
87.00851	0.5
89.02435	3.8
96.96036	0.7
98.18838	0.5
98.21848	0.9
100.07882	0.4
101.02454	1.4
107.01421	1.0
109.02972	2.1
115.00376	41.5
116.00685	0.7
119.93852	0.5
123.00895	2.1
123.04537	1.2
124.01675	2.9
125.02451	15.2
126.02796	0.8
133.01437	100.0
134.01733	1.1
137.02431	1.1
138.29695	0.5
149.02414	0.6
149.04581	0.8
151.00377	0.7
151.03963	1.0
161.02455	2.6
167.03481	0.8
168.00641	4.5
169.01434	12.8
170.01814	0.8
175.04024	0.9
177.02110	0.6
187.04030	0.8
191.05533	1.0
203.07195	0.6
211.02478	17.7
217.01393	0.5
241.03522	1.1
245.04703	0.8
245.08305	1.3
252.14719	0.5
255.03058	0.8
271.04596	25.2
272.04953	0.8
287.05707	0.7
289.07159	5.8
291.05493	0.5
303.90610	0.5
331.06683	8.0
407.07648	5.8
425.09439	3.3
432.17432	0.6
443.11966	14.9
451.10773	0.8
517.22998	1.3
577.11255	2.6
580.01367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	3.7
59.01374	35.0
61.98824	19.2
71.01381	27.7
73.02951	9.5
83.01395	5.6
84.41066	2.3
85.02962	10.1
85.66495	2.4
89.02444	11.5
96.96025	5.0
99.00858	3.2
101.02445	17.2
108.02180	18.8
109.02955	76.8
113.02467	10.7
119.03486	3.0
139.11288	3.7
141.12851	3.6
143.03563	3.8
152.25160	2.6
152.99802	2.9
155.10612	2.7
161.04558	47.3
179.05565	6.5
185.10191	4.1
185.11832	77.1
193.04990	4.0
215.12878	100.0
216.13184	2.8
219.30005	2.4
223.41484	3.1
227.12886	4.2
229.14478	4.9
269.17535	51.0
271.08224	41.5
329.16043	23.0
355.11792	3.4
355.24887	5.7
413.21655	15.6
439.19730	35.0
469.20767	39.1
497.14618	2.9
517.30066	15.9
523.25507	25.6
577.23724	3.4
577.32202	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	577.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03455	1.5
58.00590	1.6
59.01378	100.0
61.98829	1.7
68.65744	0.8
69.20738	5.3
71.01381	60.6
72.99308	1.6
73.02951	14.2
83.01398	4.6
85.02952	11.1
87.00878	1.5
89.02442	93.5
96.95994	1.7
97.02983	1.7
99.00896	1.5
101.02441	56.6
101.83229	0.8
113.02457	13.3
115.13012	1.0
119.03485	8.7
120.18116	0.9
120.85842	0.8
121.02948	1.2
125.02435	3.8
131.03505	28.6
143.03500	1.6
149.04553	91.4
159.02980	1.1
161.04544	5.1
169.01398	1.8
191.05612	17.5
206.06216	0.9
256.39905	0.9
281.08585	1.0
293.08792	1.7
311.09756	3.3
353.19638	4.4
371.20703	1.6
499.25351	6.7
517.26697	11.2
518.27246	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	577.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33704	3.0
57.03443	6.7
59.01378	100.0
61.98832	11.9
71.01379	84.7
71.44927	3.7
73.02946	21.0
78.91915	5.6
83.01382	7.0
85.02950	23.4
87.00896	7.2
89.02446	92.9
95.01374	4.6
96.96054	6.9
97.02920	3.7
99.00905	3.7
99.81249	2.7
101.02438	62.7
108.02201	6.1
109.02926	5.4
113.02450	23.3
118.67880	3.0
119.03506	16.4
122.88303	3.0
125.02457	8.2
131.03502	32.4
143.03462	4.2
149.04556	85.0
161.04510	5.2
163.06128	4.5
165.09212	25.1
169.01402	4.4
179.05612	6.3
187.11295	5.1
191.05603	17.5
205.12320	4.4
293.08667	7.0
293.96790	3.2
299.99115	3.5
385.18719	13.8
398.88620	3.8
497.20438	4.2
517.22803	59.5
517.30011	4.9
577.11578	4.1
577.33832	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	577.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20498	1.2
59.01377	59.5
61.98825	11.8
69.13485	4.0
69.13914	4.7
71.01382	9.6
72.55137	1.4
72.99331	1.4
73.02950	3.3
85.02939	4.5
89.02470	3.6
94.96966	1.5
101.02440	6.5
109.02956	5.5
113.02458	4.3
119.03459	1.7
125.02450	2.2
125.09740	2.9
161.04558	5.4
169.01518	1.7
171.10265	6.5
185.11914	6.8
192.00621	1.3
193.01309	1.9
215.12842	7.2
269.17670	7.1
271.08154	4.0
302.13629	1.4
324.64496	1.5
337.23840	5.6
339.25323	23.3
341.23309	3.4
355.24915	8.4
404.53906	1.6
413.21982	1.9
421.18872	1.3
469.20676	3.5
479.08112	2.0
517.30194	100.0
518.30328	6.5
523.24908	2.7
577.29724	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	578.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47908	2.6
57.03448	2.5
58.00614	2.8
59.01378	59.6
60.00924	2.4
61.98503	3.0
61.98825	56.1
68.84386	2.7
71.01379	43.0
72.06461	2.6
73.02934	14.6
83.82331	2.7
85.02937	12.2
87.52091	3.8
89.02441	19.1
92.02670	5.3
93.03456	69.6
95.01337	2.9
97.02947	6.4
101.02456	27.9
103.04012	25.7
107.05058	3.2
109.02957	3.1
119.03500	11.1
121.02952	40.6
125.02454	28.8
127.04020	3.4
137.02452	77.7
143.03510	3.1
145.05066	7.7
151.04021	3.3
163.06111	24.9
179.03429	3.6
192.57396	3.3
196.82072	2.5
197.06087	8.6
199.07626	3.9
204.64169	3.0
210.41710	2.6
217.30466	2.7
220.78174	2.7
227.07138	100.0
247.08299	8.1
281.06781	4.9
307.10309	17.6
344.29251	2.7
355.24924	5.1
374.96515	2.9
407.03723	3.3
427.12436	37.2
517.29773	4.3
540.08185	4.1
571.31921	3.1
578.14380	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	579.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55866	0.4
59.01378	5.7
60.01706	0.6
61.98834	1.6
62.52235	0.3
63.02391	0.6
65.00338	0.5
65.66358	0.3
71.45697	0.4
73.02937	0.9
75.22842	0.3
83.01395	0.7
85.02953	1.1
87.00835	0.4
89.02445	4.4
90.02806	0.4
93.03447	0.6
101.02435	2.5
102.02774	0.5
107.01388	1.5
113.02442	0.8
119.03499	1.0
125.02429	1.0
126.90430	6.8
131.03505	1.2
132.02167	0.8
132.03851	0.6
135.00922	0.8
149.04559	3.2
150.04919	0.7
151.00356	2.7
151.05049	0.7
152.01152	0.4
161.04533	0.4
163.00363	0.7
164.01112	0.9
165.09152	0.5
166.09587	0.4
167.05026	0.5
169.01457	0.7
178.99850	1.4
183.04472	1.0
184.18105	0.4
185.06033	0.5
187.03943	0.7
191.05571	2.2
192.05966	0.4
200.04843	0.5
211.04005	2.1
212.04904	0.4
213.01799	0.5
227.03490	41.2
228.03900	0.9
229.04988	1.7
239.03487	0.7
255.02971	69.9
256.03601	6.7
257.04602	2.5
283.02484	1.5
283.05612	0.5
284.03253	100.0
285.03970	19.4
286.04379	1.1
309.04077	0.4
327.05420	0.5
400.61456	0.3
429.08279	2.1
447.09030	0.8
518.22699	0.4
519.23706	2.6
579.13513	85.5
580.13867	6.2
592.80713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90235	0.4
54.14767	0.4
57.49756	0.4
57.81260	0.3
59.01372	2.8
61.98824	0.8
63.02409	0.4
69.28867	1.5
71.01384	1.5
85.02944	0.5
89.02475	1.8
101.02457	0.8
107.01395	1.1
108.02172	1.7
113.02402	0.5
128.44122	0.4
131.03439	0.5
135.00887	0.4
148.01639	1.5
149.04556	1.6
151.00365	3.0
152.01031	0.4
153.61848	0.4
163.00414	0.9
164.01144	0.7
178.99843	2.7
191.05595	1.1
199.03853	0.7
201.01569	0.4
211.04018	0.5
215.03505	0.7
216.04233	0.5
226.02719	1.8
227.03467	3.3
229.05266	0.4
243.02948	9.8
244.03563	0.5
254.02313	2.2
255.02968	27.6
256.03375	0.7
271.02457	56.3
272.02954	2.4
284.03268	2.0
299.02011	1.6
300.02731	100.0
301.03207	7.1
314.80844	0.4
519.24255	1.1
577.05524	0.5
579.13507	89.0
580.13928	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61122	0.4
59.01371	2.1
60.36516	0.5
61.98824	4.6
69.10025	3.4
71.01382	2.1
71.05022	4.5
73.02917	0.7
78.91874	0.5
81.03473	0.5
83.01376	0.8
87.00862	0.6
89.02431	0.7
93.03452	0.6
95.01397	1.2
96.95998	0.8
96.99342	1.5
97.02924	0.9
101.02427	1.0
107.01419	2.7
107.05029	1.2
109.02940	1.9
111.00866	0.7
117.03458	1.0
117.04781	0.9
117.05570	11.2
119.04994	1.5
121.02956	1.5
123.00893	3.6
124.01658	7.3
125.01619	1.0
125.02446	12.4
126.02837	0.6
127.00406	0.9
133.02951	2.3
135.04510	1.9
136.01634	0.8
136.98804	0.5
137.02443	2.4
138.03172	1.0
139.00377	1.1
139.03957	2.2
140.01135	1.6
145.02968	4.0
146.31332	0.5
147.04500	0.7
148.01663	0.7
149.02432	3.0
151.03987	0.9
152.01089	0.6
153.01884	0.5
154.22154	0.5
159.04485	1.0
159.07520	0.5
161.02423	8.1
162.03238	4.8
163.03987	4.2
164.01157	2.5
165.01958	4.3
166.99855	1.4
167.03535	1.3
168.00630	5.5
169.01421	10.2
173.02458	1.8
176.01117	0.9
177.01959	3.0
178.02509	0.5
178.99855	0.7
179.03496	0.8
180.00735	0.9
181.01433	0.7
183.02980	3.0
187.03951	1.3
188.01089	0.7
189.01851	2.6
190.02690	8.1
191.03508	6.8
191.05280	0.8
192.00647	21.1
193.01407	26.9
194.02107	1.1
201.01843	0.6
202.02762	0.5
203.03452	1.4
205.01424	5.8
205.05045	0.7
205.08421	1.4
206.02213	6.9
207.02972	19.0
210.01697	0.7
211.02452	10.5
215.03444	0.8
217.01358	1.0
218.02115	0.6
219.02933	0.9
220.03796	1.3
221.00818	1.2
221.04472	1.7
222.01683	0.9
223.02396	0.7
225.03970	1.2
232.03703	1.8
233.00850	1.1
233.04445	1.3
234.01698	15.8
235.02455	14.5
239.02072	0.5
241.96457	0.6
245.01003	0.7
246.01694	1.8
248.03456	0.7
249.03952	6.4
250.04552	0.6
253.03517	1.0
253.21640	0.5
254.61369	0.5
259.02264	0.8
264.02774	0.9
265.03448	1.3
276.02698	1.7
277.03564	2.7
279.05038	0.7
291.05154	0.6
294.03687	3.1
295.04459	2.7
300.99689	0.6
309.06082	3.4
312.04736	1.0
327.07361	0.9
349.47632	0.6
371.09946	0.7
412.09879	0.6
413.10837	6.4
427.12415	2.0
461.07190	7.4
479.08377	4.3
480.07922	0.6
579.13507	100.0
580.13763	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.8
61.98825	5.5
62.38344	0.9
66.23441	0.7
67.01877	0.8
71.01381	16.0
71.05024	0.8
71.12440	0.8
71.44766	0.8
72.99310	1.1
73.02944	7.6
78.95853	1.2
81.03484	0.9
82.95413	1.3
83.01378	1.8
85.02981	3.8
85.03406	0.7
87.00872	2.0
89.02438	13.7
90.33390	0.8
93.03458	1.7
95.01396	1.8
96.95993	0.8
97.02941	0.8
99.00868	0.9
101.02431	9.5
104.91038	0.9
105.03464	0.9
107.01389	3.2
107.03470	0.8
107.05016	2.2
109.02934	2.2
113.02435	5.1
117.03475	1.1
117.05576	4.3
119.03519	6.4
119.04990	1.7
121.02959	1.3
123.00901	5.0
124.01658	9.8
125.02450	18.4
127.00346	0.9
128.10794	0.8
131.03554	1.1
133.02972	2.5
133.85655	0.8
134.03720	1.2
135.04504	3.1
137.02444	3.0
139.00404	1.1
139.03990	2.8
140.01161	2.4
143.03473	1.5
145.02965	5.6
147.04512	1.1
149.02423	4.2
149.04526	1.1
151.00336	0.9
161.02477	8.3
161.04552	3.1
161.05852	0.9
162.03206	5.7
163.03969	4.7
164.01160	2.7
165.01935	5.3
166.02693	0.9
166.99870	1.6
167.03392	1.4
168.00652	8.2
169.01411	15.4
173.02423	3.5
174.03191	1.0
175.03975	1.4
177.01930	4.4
177.44646	1.0
178.02754	0.9
179.03471	1.2
179.05588	2.3
183.02971	6.2
189.01924	3.6
190.02727	10.1
190.99832	0.8
191.03485	11.4
191.05615	3.7
192.00635	27.9
193.01419	31.5
194.02084	0.9
202.02766	0.9
203.03474	2.3
204.04166	1.3
205.01416	8.4
205.05080	1.4
206.02171	9.1
207.02962	27.8
208.03499	0.9
211.02440	11.2
215.03546	1.0
217.01483	1.0
218.02409	0.8
219.02971	1.6
220.03815	1.2
221.00894	1.2
221.04451	1.7
225.04007	1.7
232.03749	1.8
233.00900	2.2
233.04483	1.5
234.01689	25.1
235.02480	20.6
235.08177	1.0
246.01732	2.5
247.02380	1.5
249.03975	8.3
276.02786	1.5
277.03458	2.4
279.05197	1.1
286.90076	0.8
294.03769	3.8
295.04514	2.7
309.06015	5.0
312.05011	1.0
327.07202	2.8
355.12839	0.9
367.12253	4.2
369.08231	3.1
383.09943	1.4
413.11069	4.9
417.24966	3.3
427.12479	1.3
461.07330	5.7
479.08417	2.4
484.17462	1.0
519.17743	1.2
519.24640	1.0
535.10889	31.8
536.11633	1.9
548.60199	1.0
555.81317	0.8
561.12415	10.6
562.13049	1.1
564.11139	1.3
579.13544	100.0
579.29718	30.9
580.14032	4.4
580.30463	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	579.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96856	0.5
51.22897	0.5
53.03413	0.5
58.00586	1.1
59.01378	69.4
61.98830	24.7
69.03429	0.7
71.00999	1.0
71.01378	11.1
71.06783	0.6
72.99306	1.0
73.02947	8.5
78.95879	0.6
83.01374	1.1
85.02949	5.3
87.00876	2.2
87.04517	2.1
89.02451	8.4
99.00896	1.1
101.02441	12.0
101.70704	0.6
103.04008	3.9
108.02163	1.2
109.02955	2.2
113.02442	2.7
115.03987	1.8
119.03512	3.4
125.02445	2.2
126.99563	10.3
131.03488	1.3
131.08672	1.9
133.05176	0.7
141.12785	0.8
143.03514	2.1
145.05090	1.3
151.03192	2.2
154.98964	0.7
157.12376	1.1
161.04544	1.2
163.06116	9.4
163.07614	2.0
165.04773	1.9
167.06325	76.0
168.06622	0.9
185.11829	1.9
202.00502	0.6
205.07143	3.2
211.05318	45.7
212.05693	1.0
215.12856	3.1
307.10022	0.9
323.25903	1.9
325.20139	1.4
339.25357	5.6
341.26959	24.6
357.26422	9.1
519.31738	100.0
520.32629	1.2
549.40729	0.6
579.30389	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	579.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45026	1.3
71.53098	1.2
85.02952	5.6
90.43098	1.2
93.03429	3.0
96.96012	2.0
121.68826	1.1
125.02422	4.9
127.04021	2.5
135.04564	2.0
159.81969	1.2
161.02435	2.1
191.05605	100.0
192.05956	2.2
222.41364	1.6
229.79935	1.3
301.00125	2.5
353.08704	14.5
407.07709	1.4
409.08148	2.2
422.08417	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	579.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44204	0.9
57.32090	0.8
59.01376	100.0
61.98829	7.7
68.99313	1.0
69.20975	4.4
71.01383	5.6
73.02949	1.3
78.95919	0.9
81.11835	0.8
85.02941	3.0
89.02435	1.7
96.31790	0.9
96.99311	16.5
98.22591	2.0
101.02445	2.2
101.39257	0.9
108.02172	1.1
109.02964	1.0
113.02448	2.0
128.48064	0.8
140.98291	3.5
141.01697	65.7
145.02989	1.1
185.11707	0.9
209.49982	0.9
278.80847	0.8
310.28030	0.9
323.04306	0.8
325.20078	0.9
357.26389	3.8
373.17249	1.9
437.23801	1.0
516.25031	1.0
519.23004	4.6
519.31635	15.1
579.31537	2.9
600.28046	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.9
57.03450	1.2
59.01377	59.7
61.18153	1.0
61.98819	2.1
71.01379	64.4
72.99297	1.4
73.02944	15.8
76.62145	1.2
78.16627	1.1
83.01392	7.0
85.02955	17.4
87.00866	3.3
89.02442	46.7
95.01382	4.6
96.96011	9.3
97.02966	1.8
99.00869	4.8
100.69995	1.3
101.01784	2.4
101.02442	38.9
107.01426	1.2
113.02451	21.6
119.03502	10.6
123.00853	6.5
124.01628	1.5
125.02441	14.6
126.02735	2.3
131.03500	8.8
139.00377	1.6
143.03436	3.9
149.04564	13.0
151.00322	1.5
159.02985	2.5
161.04564	22.6
166.99867	1.6
168.00656	2.2
169.01427	17.5
170.01782	1.9
179.05644	3.6
191.05621	8.8
225.07777	1.7
269.04089	1.2
293.08725	1.7
300.99774	1.7
317.16028	80.8
318.16412	3.6
387.20392	1.8
423.09076	4.9
449.20258	100.0
450.20657	5.7
519.24396	7.9
533.00171	1.6
553.29382	1.5
579.13287	1.7
609.67419	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
59.01376	94.6
61.98822	5.6
63.00866	0.9
69.16546	4.4
69.16956	2.0
71.01377	61.4
72.99302	1.8
73.02949	13.0
75.00900	1.1
82.95416	2.1
83.01386	3.0
84.95120	14.6
85.02949	11.9
87.00879	2.2
89.02442	100.0
95.01389	1.2
96.08798	1.2
97.02914	1.2
98.21864	2.0
99.00889	1.7
101.02439	58.0
113.02445	13.7
115.49255	1.0
119.03481	7.9
120.17938	1.0
125.02454	4.7
131.03502	32.9
143.03517	3.6
149.04549	94.7
150.04861	1.5
161.04552	5.5
169.01352	1.6
179.05679	1.1
191.05609	15.9
220.80959	0.9
221.06557	1.2
235.02357	1.1
251.07727	2.5
284.03348	1.3
286.94644	1.0
293.08820	4.9
300.99731	2.0
311.09842	14.6
399.20142	9.8
417.21320	1.3
543.10901	1.2
579.13617	1.6
579.26715	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	579.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34092	1.0
56.24467	1.1
57.03445	1.6
58.00587	1.5
59.01377	83.2
61.98831	36.5
62.65100	0.9
64.87872	1.1
69.03430	1.0
71.01382	60.6
72.01711	1.9
72.99303	1.1
73.02946	14.0
83.01385	2.5
85.02953	11.9
87.00891	2.4
89.02444	81.5
90.02775	1.5
94.05271	1.2
95.01357	1.6
96.96004	4.6
97.02931	1.1
99.00880	2.0
101.02436	41.7
102.02792	1.8
107.01395	1.3
108.02170	2.0
111.00934	1.3
113.02456	12.3
119.03503	7.2
123.00878	2.5
125.02438	4.8
131.03516	27.5
143.03519	2.2
148.01723	2.3
149.04553	81.2
150.04881	3.5
151.00366	4.4
151.05009	2.5
161.04526	4.2
169.01404	1.8
175.02478	1.2
178.99854	2.6
179.05602	1.5
191.05603	16.8
227.03473	3.5
243.02980	8.2
251.07668	1.7
254.02190	1.2
255.00397	1.7
255.02977	26.0
256.03293	1.5
270.99521	2.6
271.02484	54.2
272.03006	3.3
275.02124	1.4
281.08997	1.5
284.03259	3.8
285.03973	1.8
293.08862	2.0
299.02097	1.9
300.02737	100.0
300.99939	2.0
301.03210	7.9
311.09854	4.7
369.19427	1.6
387.20016	3.2
501.23166	4.5
519.24200	20.0
529.87085	1.3
533.22534	3.2
579.13513	89.7
580.13507	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	579.294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90975	42.4
52.10250	43.0
55.33968	38.1
61.98830	100.0
64.20770	36.2
70.07169	33.8
70.80073	62.2
72.15053	37.3
78.95927	68.1
79.67678	33.6
80.22987	37.8
86.04124	42.0
92.53187	37.7
125.09649	48.0
130.29387	36.3
152.76942	39.1
170.76404	43.8
188.63995	39.0
244.97784	50.5
467.16458	51.0
590.02130	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98721	0.4
55.01884	0.4
57.03447	0.5
59.01379	55.1
60.01722	0.4
61.98832	9.5
69.11806	2.5
70.48190	0.4
71.01376	9.2
73.02946	5.7
82.77200	0.3
83.01400	0.6
85.02940	4.3
86.44566	0.4
87.00897	1.1
87.04530	1.3
89.02444	6.9
89.34108	0.4
91.47234	0.3
95.01378	0.6
101.02444	8.8
103.04006	2.3
109.02969	0.8
113.02447	3.0
115.04038	1.3
119.03506	2.3
125.02467	1.5
126.99570	4.8
129.02008	0.5
131.03539	1.0
131.08658	0.7
143.03511	1.2
145.05133	0.9
151.03210	1.3
154.99109	0.4
157.12334	1.0
161.04547	1.2
163.06152	5.8
163.07649	1.1
165.04820	1.2
167.06322	48.2
168.05513	0.4
168.06670	2.0
169.12373	0.6
179.05624	0.5
185.11809	2.1
205.07230	1.9
211.05316	26.9
212.05656	0.9
215.12877	2.1
253.06387	0.5
269.17572	0.5
307.10501	0.4
323.25830	1.4
325.20300	0.5
339.25381	5.6
340.25598	0.7
341.26959	23.2
342.27151	1.4
355.24799	0.5
357.26456	8.2
374.21927	0.5
385.46164	0.4
519.31732	100.0
520.32050	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	581.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
66.68650	0.5
69.27493	0.5
69.82707	0.9
69.83080	1.1
76.20784	0.5
79.49037	0.4
79.95741	2.1
85.02969	0.9
88.34825	0.5
95.01384	0.9
96.96011	100.0
107.01382	0.6
113.02447	1.1
123.00868	3.0
125.02438	11.9
140.35736	0.5
150.97173	0.5
161.16295	0.6
165.01968	0.7
165.88246	0.5
169.01424	14.3
169.32970	0.5
180.98219	3.5
191.05653	1.5
193.01489	0.7
194.96136	1.7
208.97653	0.6
211.02420	1.0
212.97153	1.0
220.97600	1.0
224.97154	4.3
230.99684	0.6
236.97264	0.6
242.99792	0.7
248.97176	2.7
250.98746	0.7
252.96700	0.8
258.99243	0.9
264.75726	0.6
266.98199	2.1
270.98975	0.7
275.01898	0.9
286.98734	2.7
289.00140	0.8
290.98187	1.1
299.99222	0.5
300.99899	1.8
302.98181	0.6
308.99231	1.1
313.05377	0.7
314.98312	0.8
318.97620	0.9
320.99161	1.4
330.97629	2.9
331.06711	1.7
332.99289	1.8
342.97421	0.6
344.99429	0.8
354.97711	1.3
358.97137	4.6
372.98810	1.5
376.98334	3.2
377.02484	0.5
382.97205	0.7
400.98401	2.4
430.99457	0.7
483.07828	16.3
484.08234	0.8
521.02319	17.3
522.02820	1.4
539.03699	1.6
553.01556	0.9
581.04596	15.6
582.05151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
61.98815	1.1
69.11694	4.8
71.01383	15.8
72.99311	3.7
72.99666	0.6
89.02444	3.0
113.32404	0.8
115.00372	40.3
121.02889	0.7
128.16147	0.6
133.01430	100.0
134.01759	0.7
151.00391	1.4
178.99919	0.9
243.02974	1.4
255.03008	2.2
261.52802	0.7
271.02441	5.3
300.02771	9.0
301.03568	5.8
340.93588	0.7
374.95810	1.8
400.83890	0.7
447.09296	11.6
464.66974	0.8
533.53125	0.7
595.93585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68266	0.9
59.01379	6.5
61.98829	10.1
62.88266	1.0
66.95913	2.2
69.90267	3.0
71.01381	5.1
72.13158	1.0
73.02941	1.9
78.91878	1.9
82.95414	100.0
83.01409	0.9
85.02936	1.9
89.02441	2.6
95.01418	1.2
101.02442	2.4
103.52267	1.2
108.02184	2.5
109.02943	3.7
111.98492	0.9
125.02484	1.3
133.01456	1.5
168.00623	1.5
169.01442	1.2
211.02513	2.1
219.35849	1.1
250.15056	1.1
271.04529	3.9
389.21790	1.4
419.26648	1.5
497.20239	2.5
521.18188	1.4
521.26086	3.1
581.32159	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	581.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01384	44.5
85.02940	63.8
89.02438	60.7
96.96024	8.3
101.02442	22.6
113.02471	21.1
119.03529	26.1
125.02428	7.4
129.05576	39.7
133.24559	7.1
169.01379	7.7
179.05621	49.7
309.11850	84.1
458.69363	6.4
483.07654	8.7
505.68771	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	581.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.8
67.05521	7.8
69.82410	9.6
70.84303	3.8
71.01378	47.3
73.86108	3.8
85.02949	59.0
85.36813	3.6
89.02443	54.9
90.64452	4.2
95.71640	3.6
101.02455	26.7
113.02447	18.6
119.03483	27.4
121.92876	3.7
129.05580	50.9
143.03513	8.0
161.04544	9.2
179.05637	49.9
238.05760	3.9
270.77414	3.7
309.11896	100.0
328.75671	4.7
391.43521	3.8
395.85217	4.2
592.51251	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	581.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42856	1.3
55.01869	2.4
58.00590	1.7
59.01378	100.0
61.98841	3.1
69.00460	1.3
69.35526	1.5
70.03273	1.4
71.01381	66.4
72.99290	1.7
73.02945	15.7
76.33479	1.5
83.01383	2.9
85.02941	13.7
87.00890	1.7
89.02443	97.2
89.24402	1.5
101.02445	44.8
103.12826	1.4
113.02437	15.0
116.92911	1.6
119.03530	8.5
125.02435	2.4
131.03499	29.5
143.03531	1.6
149.04552	65.8
153.09186	7.0
153.96393	1.5
161.04550	2.6
169.01399	2.3
179.05614	2.5
191.05618	10.7
209.15439	2.7
238.78719	1.5
251.07761	3.6
265.75406	1.8
293.08823	1.9
301.00101	1.6
311.09827	3.3
357.41586	1.4
389.21835	12.7
521.26013	87.0
522.26288	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03445	1.0
58.00595	0.4
59.01381	4.6
61.98830	11.5
68.25514	0.3
69.03438	0.9
69.93696	0.4
71.01382	10.7
73.02932	3.1
81.03441	1.0
83.01381	1.3
83.05002	0.5
84.02149	0.6
85.02952	7.3
86.97482	0.4
89.02442	0.9
89.95045	0.4
91.19588	0.4
95.01375	1.5
97.02964	1.3
97.06577	2.7
99.00869	1.0
99.04498	1.5
101.02447	4.9
103.01466	2.0
108.02174	23.5
109.02955	33.8
110.03755	0.5
113.02444	5.8
123.00892	1.1
123.04478	0.7
125.02448	1.5
125.09724	1.0
127.11336	0.9
137.53595	0.4
143.03462	0.8
155.10736	0.7
159.02930	1.1
161.04550	10.6
165.12773	0.5
167.10818	0.4
167.14436	0.7
169.01498	0.5
169.06000	0.8
171.10275	6.8
177.12863	0.4
179.10715	1.0
181.12424	0.5
183.13899	2.8
185.11797	1.4
193.12479	0.6
197.11812	2.7
203.10832	0.4
209.11842	1.5
210.06023	0.4
211.13387	17.2
212.13734	0.4
221.11731	2.2
227.12868	0.4
229.14435	12.0
230.14803	0.4
239.12923	2.6
247.20796	0.5
265.07465	0.4
271.08267	4.8
278.56140	0.4
283.32834	0.4
291.19769	3.1
306.08844	0.4
309.20639	2.6
327.21750	100.0
328.22134	2.9
333.20660	0.5
351.21841	1.6
359.28125	1.0
363.21722	1.4
369.22803	1.2
411.23843	0.5
423.23883	1.5
429.32178	0.4
453.24963	0.5
471.26010	1.1
533.49652	0.5
581.29871	3.3
603.06818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98827	100.0
71.01376	1.1
71.79726	0.1
73.02954	0.4
83.01395	0.1
83.05059	0.1
85.02947	0.4
89.02452	0.2
97.02941	0.1
97.06616	0.2
101.02438	0.7
103.04005	0.1
108.02174	1.4
109.02976	1.7
110.03266	0.2
113.02460	0.4
125.02455	0.1
127.11247	0.1
128.99292	0.1
156.71335	0.1
161.04578	0.8
163.11368	0.2
164.42143	0.1
167.06238	0.1
167.90227	0.1
168.06686	0.1
169.06015	1.2
170.06407	0.4
171.10310	0.4
197.11859	0.2
209.11922	0.1
211.13382	0.8
213.04979	0.6
214.05339	0.3
221.11864	0.2
229.14444	0.5
230.14957	0.2
239.12848	0.2
271.08145	0.3
282.61041	0.1
291.19882	0.1
309.20837	0.2
310.20905	0.1
325.75656	0.1
327.21735	4.9
328.22098	2.0
436.48972	0.1
521.32391	1.0
522.32794	0.3
579.21863	0.1
581.29913	0.2
582.30096	0.2
607.43024	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	582.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
60.29337	0.1
61.98828	100.0
67.88399	0.1
69.14334	0.3
69.14748	0.4
71.01383	0.7
73.02963	0.3
79.97375	0.1
85.02963	0.3
89.02454	0.2
97.02989	0.1
101.02451	0.3
108.02184	0.7
109.02993	1.0
110.03274	0.2
112.51456	0.1
113.02457	0.1
143.55684	0.1
147.18080	0.1
161.04562	0.3
163.06181	0.2
167.06328	0.1
169.06033	0.8
170.06400	0.6
171.10318	0.2
193.30861	0.1
211.13440	0.2
212.13721	0.2
213.05086	0.5
214.05408	0.4
229.14532	0.2
230.14915	0.2
327.21750	1.5
328.22073	2.2
329.23328	0.2
385.25751	0.3
485.34799	0.1
522.32971	0.1
582.30902	0.3
583.29785	0.2
586.57184	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	583.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67700	0.3
53.65878	0.3
59.01368	1.0
60.57574	0.3
61.98830	8.9
62.08904	0.4
63.02398	0.7
63.66960	0.3
69.15647	2.4
71.01371	1.2
73.02944	0.5
83.01379	0.6
85.02959	0.7
88.98825	0.3
89.02435	0.4
91.01896	0.4
91.07533	0.3
93.03468	1.4
101.02424	0.4
107.01392	1.6
108.02192	0.8
109.01313	0.4
109.02974	1.8
113.02444	0.5
116.92915	0.4
123.00887	0.5
125.02484	0.7
135.00868	1.2
137.02504	0.5
141.07111	0.5
143.05019	1.1
145.02994	0.6
151.00391	0.9
157.06548	0.8
159.04533	1.1
163.00412	2.3
165.01967	0.7
167.04942	0.6
169.01450	0.9
169.06624	0.8
171.04489	0.5
173.05951	0.5
183.04463	0.5
185.06094	2.8
187.03957	2.7
189.05536	0.8
195.04404	0.7
197.06079	1.4
199.04060	1.2
201.05516	0.8
211.04041	2.0
213.05600	2.5
215.03389	0.5
227.03497	2.7
229.05045	11.6
239.03502	1.6
240.04272	0.8
241.05008	1.4
243.02957	0.4
243.14255	0.4
243.74046	0.4
255.02917	0.7
256.03772	0.8
257.04523	7.0
267.02930	0.8
284.19504	0.4
285.04037	100.0
286.04413	3.3
297.06140	3.4
301.03607	0.5
327.21930	0.9
328.22150	0.9
329.23172	0.6
348.01947	0.4
417.12201	0.5
421.14011	1.6
583.10876	1.6
583.19501	0.9
583.29010	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	583.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
59.83986	0.2
61.98827	0.7
67.01895	0.5
69.11442	1.7
71.01371	1.0
73.02950	0.3
83.05014	0.4
85.02943	9.1
87.00894	1.8
87.93314	0.2
89.02417	0.3
93.03457	2.8
99.04520	0.3
101.02455	0.4
109.02944	1.0
111.04519	1.1
125.02451	0.6
127.03996	2.1
147.04585	0.3
169.01450	0.4
171.02956	0.5
173.04530	0.9
182.84607	0.3
185.70139	0.3
189.73511	0.3
191.05605	100.0
192.05911	1.6
216.62660	0.3
291.97406	0.3
301.20380	0.4
339.37097	0.4
391.10367	0.4
479.07813	0.5
484.51511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34476	0.3
59.01392	2.1
60.78989	0.4
61.98833	4.7
69.15400	1.4
69.15799	0.9
69.62238	0.3
71.01379	3.1
73.02940	1.1
79.05510	0.4
81.03448	0.7
82.95422	0.5
83.01418	0.5
85.02940	1.5
89.02444	0.6
95.01418	0.4
95.05033	0.5
99.00874	0.8
101.02431	2.1
107.60661	0.4
108.02176	6.7
109.02953	11.5
113.02451	1.4
117.03465	20.4
119.05028	7.7
121.02969	0.5
121.06570	0.5
122.03705	0.6
123.04528	2.0
137.06078	2.3
145.02950	100.0
146.03253	2.0
147.04523	0.8
150.03218	1.3
151.05240	0.3
155.65634	0.4
161.02419	0.5
161.04611	0.7
163.04018	6.3
165.05568	16.9
166.05896	0.5
187.04037	0.5
191.07111	0.8
203.72928	0.3
219.06633	0.7
227.03452	0.4
229.05116	0.5
255.02907	2.0
284.03284	2.6
285.04007	6.1
285.06958	0.6
293.08231	0.8
294.96634	0.4
306.66876	0.4
307.08289	6.4
328.22217	0.4
361.29535	0.8
411.75208	0.4
417.11880	61.0
418.12131	3.1
431.09744	5.8
445.15390	0.6
523.34796	5.6
565.17328	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74491	9.3
59.01377	100.0
69.16310	55.2
71.01375	68.0
89.02441	91.2
98.22597	26.8
101.02453	16.5
105.82144	9.1
113.02438	13.4
119.03516	28.8
141.72519	9.8
176.53818	9.8
179.05602	63.9
247.96407	17.3
248.97488	11.5
289.97311	45.3
290.98090	12.9
291.10733	9.8
293.44263	10.4
425.04050	30.0
449.97925	9.3
462.98914	13.8
507.98865	18.9
532.52856	10.8
583.03632	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90622	0.2
53.34782	0.2
55.01889	0.5
57.03444	1.1
59.01381	1.1
61.88960	0.2
61.98820	0.4
69.03447	0.4
71.01377	8.8
72.99326	0.4
73.02951	1.9
81.03432	1.0
83.01409	0.6
83.05032	0.5
85.02942	3.7
87.00871	0.4
89.02472	0.4
95.01392	1.3
97.02951	0.7
97.06628	0.3
99.00838	1.1
99.04524	1.0
99.08160	2.2
99.89878	0.2
101.02441	3.8
108.02173	19.6
109.02952	30.4
110.03293	0.4
111.04541	0.2
113.02443	5.0
121.62964	0.2
123.00859	0.2
123.04528	0.5
125.02457	1.1
125.09723	0.7
127.11291	0.8
129.09236	0.3
143.03479	0.7
151.04062	0.5
155.10846	0.3
155.14403	0.6
157.89488	0.2
159.02980	0.7
161.04549	10.5
165.12830	0.3
167.10745	0.3
167.14447	0.5
171.10291	2.5
181.12357	0.8
183.13907	3.5
185.11795	0.3
191.14441	0.4
193.04935	0.2
193.12375	1.4
199.13350	1.8
209.11818	0.7
211.13391	21.8
212.13741	0.7
218.72797	0.2
229.14429	13.5
230.14685	0.2
235.13306	0.4
241.14421	0.3
253.14447	0.3
265.14517	0.4
271.08221	4.3
293.21262	1.0
294.94061	0.2
311.22226	2.4
329.23309	100.0
330.23700	3.2
353.23318	1.9
365.23257	1.5
371.24335	0.6
377.23325	0.2
383.24429	0.5
390.69476	0.2
395.24292	0.3
425.25555	1.1
455.26950	0.3
473.27365	0.9
583.31140	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	585.0887
Annotation	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
59.01364	0.6
61.98829	2.3
63.02394	2.3
65.00323	3.5
69.55171	0.9
69.55538	0.5
71.01363	1.0
82.95399	0.5
83.01382	2.6
83.26189	0.3
84.54090	0.3
84.95112	0.4
85.02944	0.4
88.98759	0.4
89.02432	0.3
93.03441	0.8
96.96007	0.7
98.22585	0.6
99.92580	0.6
101.02426	0.5
103.03975	0.3
105.17593	0.2
107.01386	7.9
108.02186	0.3
109.02937	2.7
111.00913	0.4
113.48634	0.2
116.92859	7.1
119.01392	0.4
121.02944	8.8
123.00858	0.5
124.01603	1.2
125.02431	3.1
133.02882	0.2
135.00906	0.6
137.02446	0.3
139.04002	0.6
140.01112	0.3
145.02893	0.5
149.02403	1.4
151.00368	33.0
152.00725	0.7
161.02449	1.1
163.00391	2.2
163.04005	0.9
164.01183	0.4
167.05054	0.4
168.00629	0.6
169.01414	3.5
175.03975	0.6
178.99854	15.7
180.00188	0.5
183.04445	0.5
185.06053	0.4
187.03973	0.6
192.00652	0.5
193.01430	0.7
195.04443	0.2
201.05588	1.1
203.03485	0.3
211.04057	1.3
218.65500	0.3
227.03473	1.6
229.05008	1.4
239.03506	0.4
243.02866	0.3
245.04515	2.2
255.02942	2.3
257.04568	1.0
266.02466	0.3
271.02362	0.6
273.04108	2.3
283.02283	0.6
283.04932	0.3
291.82089	0.3
300.02783	0.8
301.03516	100.0
302.03867	3.9
387.23810	0.4
433.07495	0.3
585.09576	6.9
585.25916	1.0
586.09399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1247
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
52.14373	0.5
55.91439	0.5
59.01375	1.3
61.98824	2.3
67.01881	0.6
69.03451	1.0
70.80423	0.8
71.01380	2.6
71.67689	0.5
73.02944	0.8
74.59422	0.5
79.01891	0.8
79.41786	0.5
81.03465	1.2
85.02954	1.1
90.46146	0.6
95.01380	1.6
97.02917	1.0
101.02444	1.1
105.03462	0.7
107.01376	5.8
108.02169	4.9
109.02966	6.4
111.00909	1.3
113.02469	1.1
116.92871	0.8
117.03477	1.5
121.02953	1.0
123.00096	0.7
123.00907	7.0
124.01668	9.0
125.02449	36.8
132.02194	0.5
133.02956	22.1
134.03703	2.1
135.04526	22.1
136.98853	1.1
137.02406	0.8
139.00363	2.2
140.01157	2.3
141.01903	1.4
151.00362	3.3
151.04012	0.7
153.01924	0.7
161.02443	92.6
162.02806	1.6
163.04019	0.5
166.99878	0.6
168.00642	4.0
169.01425	38.1
175.03937	0.7
177.05533	2.0
178.99896	0.7
179.03488	15.5
192.00557	0.6
193.01366	0.9
203.03490	1.0
211.02396	0.7
221.04547	2.4
243.02835	0.7
255.02966	1.7
271.02371	1.6
300.02759	5.4
301.03418	4.0
313.05652	2.1
323.07706	5.1
415.10294	1.2
423.09167	2.1
433.11749	26.0
434.11728	1.1
458.51880	0.6
493.37582	0.6
498.23376	0.6
515.25537	0.6
526.21637	0.6
585.12488	100.0
586.12714	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	585.1254
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
51.66984	0.7
52.88833	0.9
59.01406	0.6
61.98807	2.5
64.77717	0.9
71.01365	1.9
80.91647	1.4
85.02960	0.9
88.98798	2.0
93.03504	0.8
95.01405	0.8
108.02168	4.2
109.02946	16.4
113.02402	0.9
121.02985	1.9
123.00871	1.9
123.04510	1.9
125.02452	11.2
133.02946	1.2
135.04518	1.4
147.00848	1.3
149.02390	1.6
151.03995	10.5
161.02460	5.4
169.01421	21.2
170.01733	1.5
171.04552	1.3
176.01102	2.3
177.01918	17.4
178.99846	2.6
187.04089	2.1
195.02870	0.9
199.03957	1.1
211.03926	0.9
213.05547	2.4
214.02753	1.3
215.03453	2.5
219.61469	0.9
221.00861	3.4
225.87744	0.8
226.02719	1.5
227.03429	1.3
229.04938	1.4
239.03580	0.9
240.04419	0.8
241.05020	3.5
242.02130	1.2
243.02945	14.0
244.03726	1.8
245.04436	3.1
254.02023	1.0
256.03751	0.9
257.04535	2.5
267.02933	3.1
269.04474	7.7
271.02466	29.3
285.04050	11.9
286.04639	1.0
287.05606	1.0
289.03677	1.2
295.02408	7.0
311.02097	0.8
313.03497	37.2
331.04547	3.6
365.05167	1.0
373.05508	2.5
415.06448	1.4
462.65298	0.9
475.08771	17.5
543.11279	2.3
585.12451	100.0
586.13000	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	585.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32799	0.7
55.01875	1.4
55.75224	0.8
59.01376	13.8
67.01895	1.3
69.03441	1.4
69.42238	2.9
71.01385	14.0
73.02943	2.6
74.98988	0.8
75.00847	0.8
76.67992	0.8
79.01892	1.3
81.03455	1.0
83.01385	2.2
85.02954	10.3
87.00880	1.9
89.02456	5.7
95.01389	3.6
96.96024	0.9
96.99220	0.8
97.02943	3.5
99.00885	4.8
101.02441	9.0
107.01381	5.8
108.02183	9.9
109.02950	14.3
111.00841	1.0
113.02462	8.8
119.03485	2.2
123.00887	23.5
123.04492	1.1
124.01675	9.6
125.02447	38.6
127.00373	1.0
133.89038	0.8
136.98950	1.1
139.00377	2.3
140.01163	2.2
141.01962	3.1
143.03455	1.3
151.00366	14.1
151.04027	1.2
153.01926	0.9
159.02913	1.0
161.04506	4.7
161.08174	1.2
168.00661	3.4
169.01422	45.2
170.01842	0.8
191.05611	1.6
192.87209	0.8
203.09210	1.2
207.09354	1.0
211.02501	2.0
271.04623	1.6
295.04694	1.0
300.99966	1.1
301.09314	0.8
313.05811	7.3
323.09665	2.2
423.09311	91.3
424.09521	4.2
429.03616	1.0
459.15997	1.1
475.10742	1.9
502.66473	1.1
585.14612	100.0
586.14825	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	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01368	1.3
61.98830	15.3
63.99253	0.6
69.03456	0.4
71.01007	0.6
71.01379	6.5
73.02937	1.3
78.95947	0.4
79.66528	0.3
81.03450	0.5
83.01398	0.4
85.02964	2.5
95.01398	1.3
99.00852	0.5
101.02449	2.1
108.02171	16.8
109.02950	22.8
113.02431	3.3
120.77135	0.4
123.00916	0.5
125.02446	1.1
125.09731	0.7
127.11284	2.5
143.03474	0.6
143.10747	0.4
151.03976	0.4
155.10760	0.6
157.12370	1.8
159.02971	0.5
161.04539	5.4
171.10266	1.9
187.13408	0.6
201.11328	0.5
201.14880	0.5
217.06572	8.0
218.06859	0.4
271.08231	2.7
290.02774	0.3
295.22787	0.7
311.22333	0.8
313.23825	4.0
329.23337	3.1
331.24875	100.0
332.25208	3.4
345.26578	0.4
355.24948	2.6
356.44882	0.4
367.24939	1.9
373.25909	1.0
385.25836	1.8
397.25983	1.2
399.27695	0.4
427.27032	2.5
475.29160	0.9
527.70715	0.4
585.33167	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	586.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98828	100.0
65.04419	0.2
71.88049	0.2
82.95460	0.2
95.29832	0.2
109.03006	0.2
119.05045	0.2
152.70515	0.2
163.04115	0.3
189.09087	0.2
257.64487	0.2
331.25229	0.3
332.25217	0.4
555.16681	0.2
614.71930	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	587.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41215	0.7
59.01372	4.8
61.98829	3.5
63.53620	0.8
69.03445	2.5
71.01373	2.3
73.02937	1.1
74.70233	0.8
75.59961	0.7
77.01701	0.7
81.03426	1.3
84.95130	2.3
85.00427	1.2
85.02967	1.0
89.02452	2.0
93.03453	6.5
95.01359	1.1
95.05031	1.1
96.95992	2.7
97.02940	2.8
101.02449	2.7
103.03986	1.1
107.01405	2.0
108.02168	2.8
109.02959	13.8
110.39361	0.7
117.03440	1.0
119.03503	1.2
119.05032	1.0
123.00867	2.5
123.04517	9.6
124.01640	1.1
125.02448	49.1
126.02861	1.2
133.02924	4.4
135.00877	2.6
137.02405	1.0
145.02950	13.7
147.04512	1.7
149.02510	1.5
150.03268	0.9
151.03993	6.1
152.01175	5.0
153.01933	1.0
156.54300	0.7
159.04547	1.1
161.02498	1.4
163.04044	0.7
163.06149	2.3
165.01891	0.8
166.99825	4.5
169.01422	100.0
170.01836	0.9
175.04013	0.8
177.01929	45.3
182.38499	0.7
187.04019	2.9
189.01927	32.4
190.02711	7.7
191.03499	8.2
193.01378	4.8
201.02000	2.5
203.03545	3.6
203.07211	1.1
205.01404	1.2
216.00671	6.2
216.99307	1.7
217.01407	33.2
218.02036	1.7
219.02975	11.0
229.05103	2.1
231.02969	10.8
233.04341	1.0
241.05128	3.0
243.06633	2.9
269.04556	0.9
271.06100	12.1
275.05466	1.8
279.06549	0.9
281.04471	2.2
283.06085	5.5
289.07166	3.5
297.07697	1.4
307.10284	2.8
309.19376	0.9
311.05591	6.5
323.02292	0.6
323.05585	20.7
341.06613	65.6
342.06973	2.8
417.09833	13.9
433.09521	2.1
435.10831	85.9
436.11185	3.8
437.08838	1.7
443.11935	9.5
461.08090	0.9
477.08270	5.2
520.23541	0.8
551.17413	1.0
587.11859	24.9
588.11969	1.5
606.37109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.2
60.40994	1.4
60.99305	19.5
61.98829	4.9
66.65141	1.4
71.01400	3.0
77.25162	1.4
78.05453	1.4
82.95409	1.8
83.01372	1.6
85.02944	1.9
87.00893	1.8
88.98802	100.0
89.02477	1.3
96.96011	3.5
108.02201	7.4
109.02956	18.3
113.02457	1.7
115.00355	2.7
116.92871	2.1
117.92799	1.2
123.00912	2.2
124.01681	1.6
125.02409	2.1
139.11327	4.4
146.17763	1.3
148.90967	2.0
151.00323	2.7
162.61026	1.5
169.01418	2.7
175.02458	5.3
183.10251	7.8
209.11751	1.9
225.11426	2.1
243.12512	2.4
244.54324	1.3
251.03883	2.0
253.05304	2.7
293.04645	1.5
297.04309	2.4
301.03339	7.7
302.03888	5.1
303.04245	2.6
469.19324	1.4
483.76950	1.6
497.20288	55.9
498.20374	3.0
507.98199	1.8
527.07794	1.8
551.12238	14.0
587.09845	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	587.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.5
61.98826	17.0
70.60033	4.0
71.01363	4.0
77.62924	2.0
78.95931	3.4
85.96535	2.1
87.75520	1.9
90.13862	2.5
93.03445	3.5
96.95999	2.5
101.02449	9.6
106.04167	4.8
109.02963	5.2
111.44479	2.4
111.88013	2.0
113.02410	3.4
117.03430	4.3
118.04247	3.8
119.05031	52.1
121.02941	5.5
123.00875	2.5
123.04524	4.7
125.02447	21.1
131.05043	2.9
132.05772	4.0
133.03026	2.6
133.06602	17.5
134.03741	53.9
135.04460	1.9
145.02928	27.8
149.06071	100.0
161.06091	39.5
163.04007	70.8
169.01433	25.4
173.82683	2.4
177.01918	10.8
187.03905	3.2
189.01920	9.9
190.02696	2.5
205.05057	43.3
217.01424	9.4
219.02972	3.4
231.03038	5.3
251.67786	2.4
262.77332	2.4
265.07214	4.6
287.63269	2.4
313.10803	65.6
323.05585	5.6
325.07294	6.1
341.06674	15.0
355.11835	47.3
356.12454	2.4
356.69064	2.7
415.14044	17.6
417.10129	2.6
435.10852	24.7
458.11670	2.2
508.34073	2.3
587.12091	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.6
60.53056	0.5
65.00383	0.7
67.01910	1.3
68.99820	0.8
69.03481	0.9
69.19408	2.5
71.01376	8.0
71.54861	0.6
79.01920	1.5
81.03494	1.4
82.00645	0.9
83.01408	1.4
85.02989	2.4
87.00893	0.8
89.02485	1.5
93.03531	0.9
95.01366	3.5
96.96008	5.7
96.99332	1.2
97.02988	1.4
99.00918	0.6
101.02485	2.3
107.01383	17.7
108.02171	10.8
109.02957	14.3
111.00878	3.0
113.02506	2.4
121.02962	0.9
123.00888	19.1
124.01663	28.0
125.02450	30.9
127.00375	1.6
135.04541	1.2
136.98846	1.5
137.02472	2.0
138.03249	3.6
139.00398	4.5
139.04012	18.1
139.41364	0.6
140.01189	2.6
141.02010	2.7
143.03555	0.8
148.31743	0.6
149.02501	0.6
150.16368	0.7
151.00363	6.6
151.31604	0.6
153.01968	1.1
154.60893	0.5
154.99916	1.3
164.01230	0.8
165.01933	1.0
166.99846	4.6
167.03572	1.4
168.00639	25.7
168.59525	0.5
169.01427	43.7
175.03995	0.8
178.02686	0.6
179.03508	1.3
181.01418	0.8
182.02280	1.8
183.02982	61.6
184.03415	1.4
192.00742	0.9
193.01440	1.4
195.03035	0.8
207.03012	0.8
210.01888	1.0
211.02551	2.6
222.54657	0.6
223.02591	1.2
225.04131	2.1
227.82901	0.8
285.04065	0.8
295.04547	3.7
296.05215	1.3
297.06158	5.8
312.04892	2.7
313.05670	9.2
327.07169	16.0
328.07224	0.6
367.21225	0.7
405.08325	3.6
422.08502	2.4
423.09094	2.2
437.10873	100.0
438.11328	6.0
465.07053	1.0
479.08334	34.6
480.08472	2.1
488.18848	0.6
589.11963	75.7
590.12561	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	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78479	0.2
56.44279	0.2
61.98827	100.0
62.94452	0.2
78.95905	0.4
97.78073	0.2
106.21244	0.2
129.31915	0.2
138.45244	0.2
152.99626	0.5
280.72452	0.2
412.80606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43546	6.2
59.01381	7.9
71.44163	7.7
87.00850	16.5
91.31995	7.5
95.47055	7.8
96.96010	8.0
109.02997	7.7
111.00863	17.4
115.00352	18.4
116.92825	8.3
125.02444	12.4
129.44203	7.9
130.30383	7.8
139.00424	10.8
149.02495	9.9
156.00655	17.3
157.01439	25.8
167.30765	6.4
171.01123	9.0
174.01660	11.8
175.02455	22.1
193.05080	27.0
193.96666	7.2
207.06677	18.5
233.04663	11.4
234.05165	14.6
307.08286	100.0
345.37881	7.7
348.99286	7.8
385.01126	8.5
469.13373	39.9
471.11365	12.5
487.33487	9.4
510.30191	8.1
513.12469	28.7
515.83258	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	591.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50725	0.3
55.71407	0.3
58.02008	0.3
59.01377	1.2
69.35818	0.7
69.36209	0.6
71.01377	1.4
71.21918	0.3
73.02922	0.4
85.02972	0.6
89.02444	0.9
93.03455	55.9
94.03772	0.7
98.22551	0.5
98.99420	0.4
101.02463	0.4
117.00475	0.5
121.03030	0.4
124.70119	0.3
125.02495	0.5
137.02440	100.0
138.02786	1.6
141.00398	2.5
161.04602	0.3
179.05653	0.4
195.01497	0.4
196.96115	0.5
238.97307	1.3
256.98306	1.2
298.99323	7.1
299.07697	7.4
299.99460	0.4
353.00458	0.6
457.59589	0.3
491.78128	0.3
531.08966	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52054	0.8
52.74297	0.7
57.03443	1.2
57.33218	0.8
59.01376	23.1
61.98832	1.7
65.68381	0.8
69.12012	6.3
69.70819	1.0
71.01379	16.0
73.02954	2.2
75.00783	0.9
78.94552	0.8
81.74345	0.9
83.01398	1.6
84.52486	0.9
85.02941	5.5
88.98804	0.9
89.02444	15.3
95.01376	2.2
99.04501	5.4
101.02441	8.7
107.05029	1.4
109.02933	1.8
111.04496	4.1
113.02460	9.5
116.42355	0.9
119.03549	4.4
121.02955	1.0
125.02448	2.3
127.68219	0.9
131.03444	0.9
135.04527	1.1
161.04567	4.5
161.13344	8.1
169.10133	1.1
179.05589	3.2
187.11272	8.9
205.10460	1.6
205.12328	29.1
223.06892	1.1
229.12405	2.2
249.11308	100.0
250.11601	2.6
275.84323	0.9
291.12320	5.1
316.75412	1.0
351.14365	2.9
385.18585	1.4
411.11142	2.1
411.16583	37.4
412.17062	0.9
429.17621	32.9
430.17938	1.4
466.38803	1.0
473.93100	1.0
483.45676	0.9
547.18207	2.7
591.23108	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11916	1.7
56.81977	1.5
59.01378	100.0
69.45029	5.4
71.01380	51.3
73.03000	1.9
81.07072	1.8
83.01386	2.5
85.02951	9.8
89.02442	53.3
95.01398	5.4
95.05064	1.8
96.95995	1.7
99.04505	8.7
101.02432	26.1
111.04565	1.9
113.02449	27.8
119.03501	21.7
119.05685	1.5
125.22244	1.8
131.03471	4.0
143.03471	4.2
149.04649	1.9
161.04544	9.8
161.09689	2.0
161.13350	24.0
179.05591	22.0
185.13347	2.0
187.11272	42.8
205.12325	48.8
229.12341	11.6
231.10208	6.4
247.13315	5.4
249.11304	89.2
277.50055	1.7
291.12323	5.1
351.14246	2.1
385.18527	9.6
411.16565	29.1
429.17654	96.9
430.17996	5.0
591.22937	20.8
592.23517	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62720	1.1
59.01379	86.2
69.29557	4.0
69.29983	3.9
71.01378	41.6
73.02940	1.5
79.05506	2.2
79.18592	1.4
82.89307	1.5
83.01373	2.6
85.02946	9.3
88.98798	3.0
89.02444	43.5
91.72810	1.4
95.01377	2.3
95.05021	1.4
98.03808	1.2
99.04527	8.8
101.02441	23.4
103.55830	1.3
107.05035	2.7
111.04502	3.6
113.02451	20.3
119.03497	16.1
120.05833	1.5
125.02444	3.8
125.06097	1.5
128.23550	1.3
143.03511	3.1
149.04523	2.2
161.04553	7.3
161.13345	19.3
164.14532	1.6
169.01353	2.2
169.10226	2.2
179.05600	14.3
185.13367	2.5
187.11284	32.5
205.12318	43.0
229.12306	6.4
231.10254	3.5
231.29393	1.2
247.13263	3.9
249.11313	86.1
273.11395	1.5
291.12332	5.4
323.09482	1.7
351.14505	1.9
379.43988	1.4
385.18771	6.1
411.16580	30.0
429.17615	100.0
430.17880	4.4
591.12982	3.6
591.22870	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	592.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24708	0.2
59.01373	0.5
60.19113	0.2
61.98827	100.0
71.01386	0.2
77.01542	0.2
78.37724	0.2
78.62173	0.2
84.81957	0.2
86.18269	0.2
89.02502	0.2
94.03273	0.2
94.48569	0.2
117.03465	0.4
119.04984	0.2
129.56488	0.2
133.02966	0.3
137.02469	0.6
145.02983	0.6
151.00372	0.3
166.81827	0.2
209.68889	0.2
256.98358	0.2
264.49356	0.2
282.12915	0.2
284.03284	1.2
285.04028	6.0
593.13013	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98824	0.9
69.64204	0.2
70.65974	0.3
77.03952	0.3
119.08068	0.1
120.02159	3.0
121.02953	100.0
122.03291	1.0
152.13568	0.1
165.01923	4.4
168.29825	0.2
180.05748	0.5
181.06580	2.7
197.06084	1.4
198.06499	0.2
207.04561	0.9
207.08165	0.4
209.04543	58.9
210.04863	0.9
223.03963	0.3
225.05571	2.0
251.06996	0.3
253.68001	0.2
257.09668	0.6
285.09265	0.2
301.08664	0.3
313.07159	1.9
329.08176	0.3
357.06241	1.3
373.10880	0.4
383.07724	1.1
401.08719	0.4
417.09961	1.3
505.11346	2.8
549.01898	0.4
549.10376	6.7
550.10889	0.4
592.34424	1.0
593.12982	13.3
593.34241	0.5
594.13153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Kaempferol-3-Glucoside-2''-p-coumaroyl
Peak:m/z	Relative Intensity
59.01369	2.8
61.98827	25.9
63.02394	1.5
65.00324	1.0
71.01398	1.7
73.02931	0.6
83.01360	0.7
87.00829	0.7
88.98764	0.6
89.02452	0.6
93.03423	0.7
101.02444	1.2
105.03482	0.6
107.01403	2.5
109.02979	1.6
113.02419	0.9
116.92867	0.8
117.03464	5.2
119.05064	2.6
125.02467	1.6
133.02936	4.7
145.02940	13.9
149.02428	2.1
151.00369	4.5
169.01468	1.6
174.35190	0.6
175.03990	2.5
199.03937	2.1
200.04738	0.7
201.01974	0.8
217.04990	1.0
227.03485	0.7
250.93977	0.6
256.03702	1.1
284.03232	19.5
285.04031	100.0
286.04395	2.7
447.09387	1.0
487.37180	0.6
533.04132	0.6
537.19666	0.6
557.12347	3.0
593.12970	63.6
594.13159	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	593.1509
Annotation	Kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
54.52544	0.4
59.01379	2.7
59.95056	0.4
62.77237	0.4
71.01348	1.9
71.28394	0.5
73.02910	0.5
75.00847	1.2
83.01345	0.7
87.00829	0.5
89.02436	2.2
93.03442	0.9
96.95974	0.8
101.02384	0.9
109.02942	0.7
113.02402	0.5
117.03432	0.7
119.03486	0.4
123.00841	0.6
124.01661	0.6
125.02393	1.5
126.02702	0.8
131.03491	0.8
137.02351	0.5
141.80136	0.5
149.04524	2.0
151.00311	1.2
159.04451	0.5
169.01389	1.7
169.06564	0.8
183.04477	1.3
185.02182	0.4
187.03964	0.6
191.05553	1.3
211.03998	1.2
221.11838	0.6
227.03386	2.2
229.05008	0.9
239.03442	0.5
243.02983	0.7
255.02977	24.7
256.03384	0.6
257.04736	0.5
264.27567	0.5
269.04675	0.5
281.04611	0.8
283.02466	50.6
284.03082	4.4
285.04034	100.0
286.04297	2.9
298.04636	0.7
307.05923	0.8
311.02054	0.7
323.33521	0.4
327.05078	3.0
431.09775	8.8
446.08478	10.3
447.09268	17.5
448.09738	0.9
547.95831	0.5
593.15289	31.5
594.15814	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52544	0.4
59.01379	2.7
59.95056	0.4
62.77237	0.4
71.01348	1.9
71.28394	0.5
73.02910	0.5
75.00847	1.2
83.01345	0.7
87.00829	0.5
89.02436	2.2
93.03442	0.9
96.95974	0.8
101.02384	0.9
109.02942	0.7
113.02402	0.5
117.03432	0.7
119.03486	0.4
123.00841	0.6
124.01661	0.6
125.02393	1.5
126.02702	0.8
131.03491	0.8
137.02351	0.5
141.80136	0.5
149.04524	2.0
151.00311	1.2
159.04451	0.5
169.01389	1.7
169.06564	0.8
183.04477	1.3
185.02182	0.4
187.03964	0.6
191.05553	1.3
211.03998	1.2
221.11838	0.6
227.03386	2.2
229.05008	0.9
239.03442	0.5
243.02983	0.7
255.02977	24.7
256.03384	0.6
257.04736	0.5
264.27567	0.5
269.04675	0.5
281.04611	0.8
283.02466	50.6
284.03082	4.4
285.04034	100.0
286.04297	2.9
298.04636	0.7
307.05923	0.8
311.02054	0.7
323.33521	0.4
327.05078	3.0
431.09775	8.8
446.08478	10.3
447.09268	17.5
448.09738	0.9
547.95831	0.5
593.15289	31.5
594.15814	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
63.02394	0.7
65.00333	0.6
69.11623	2.8
70.70903	0.4
85.02937	0.8
89.02465	0.6
91.01901	0.6
93.03460	1.7
98.21936	0.9
101.02424	0.5
107.01398	1.8
109.02983	0.7
125.02447	0.6
132.02151	0.8
135.00859	2.1
143.05014	0.7
143.40228	0.4
151.00369	2.8
157.06580	0.4
159.04482	0.7
163.00375	2.5
164.01149	0.7
165.01933	0.8
169.06601	0.6
171.04559	0.8
173.26797	0.4
174.03181	0.4
178.99878	0.5
183.04478	1.2
185.06049	2.4
187.03992	3.7
189.05582	1.2
195.04515	0.7
197.06055	1.0
199.04013	1.1
200.27135	0.5
211.04060	2.1
213.05579	1.6
219.37421	0.4
227.03499	35.5
228.03955	1.1
229.05031	11.5
229.07123	0.8
239.03543	1.5
240.04266	0.6
241.05061	1.9
243.02869	0.7
255.02983	59.0
256.03693	5.9
257.04553	8.3
267.03006	0.8
284.03265	74.6
285.04031	100.0
286.04352	3.5
299.05847	0.5
327.05145	0.8
341.47580	0.4
349.77017	0.6
401.18234	1.0
533.22473	1.4
593.15112	99.5
594.15393	5.7
600.27673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Kaempferol 3-robinobioside
Peak:m/z	Relative Intensity
59.01381	6.6
61.98830	0.8
65.00315	0.7
66.05627	0.4
73.02946	0.4
75.00867	1.7
83.01396	0.5
85.02926	0.7
89.02451	2.0
89.10713	0.4
96.99342	0.7
101.02437	1.0
107.01387	1.1
113.02455	1.0
125.02428	0.4
132.02222	1.2
135.00888	0.8
137.09750	0.5
141.01711	2.0
149.04608	0.5
151.00340	2.2
161.04544	0.5
163.00371	0.9
164.01173	0.6
178.99873	1.6
183.04491	1.1
185.02449	0.4
187.03963	0.7
187.11420	0.4
190.99825	0.4
191.05481	0.5
195.04399	0.4
200.04851	0.4
205.12347	0.7
206.12827	0.4
211.03975	1.9
227.03496	39.4
228.03990	1.1
229.05042	0.8
239.03442	1.2
249.11302	1.2
250.11580	1.5
251.11850	0.5
255.02980	72.5
256.03668	5.0
257.04492	1.0
265.98065	0.4
283.02509	1.1
284.03259	100.0
285.03986	12.5
327.05014	0.5
358.38031	0.4
369.13867	0.7
412.16766	0.8
429.08167	2.0
430.17883	1.1
431.18323	1.3
470.22726	0.4
557.61670	0.4
593.15094	76.4
594.15625	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62563	3.0
54.30520	3.7
56.88980	3.4
57.03460	4.9
57.10242	3.5
58.49443	3.4
59.01379	100.0
71.01384	79.5
73.02941	33.7
75.00858	11.9
83.01385	8.5
85.02953	34.2
87.00890	10.5
89.02444	88.8
95.01421	3.9
96.95983	8.7
97.02926	5.6
98.22655	10.5
99.00884	8.4
101.02444	68.2
111.04454	3.9
113.02454	15.5
119.03456	6.7
123.00888	5.0
125.02455	16.1
125.06115	5.2
131.03499	43.0
133.37677	3.6
138.06783	4.1
139.07675	6.7
149.04549	75.9
153.09224	16.3
161.04529	5.0
165.09154	19.0
169.01418	6.8
169.05074	7.1
177.09152	10.7
181.08742	3.7
191.05605	77.3
193.01331	4.3
203.10713	3.6
205.12292	4.9
219.10184	6.8
220.10951	8.8
221.11710	6.2
223.13342	3.9
227.03625	4.1
239.12859	4.6
247.08105	7.9
255.02937	5.2
261.11072	4.3
268.62518	4.2
281.14130	4.8
283.02451	4.4
284.03311	4.5
285.03946	12.8
300.99780	7.9
305.13910	7.3
323.14914	6.8
379.12589	4.5
401.18240	30.9
459.65021	4.4
515.21332	12.0
533.22290	39.4
593.14771	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56890	0.2
55.60017	0.3
55.61082	0.2
59.01368	1.6
63.02398	0.8
65.00323	0.5
65.23295	0.2
69.12376	1.3
73.02959	0.6
83.01396	0.9
84.43863	0.2
85.02949	0.9
85.52480	0.2
89.02438	0.6
91.01846	0.3
93.03439	1.5
95.01374	0.5
99.48405	0.3
101.02417	1.4
107.01372	2.2
109.02965	0.4
113.02453	0.8
119.01344	0.3
119.03496	0.3
125.02428	0.4
126.16524	0.3
126.51491	0.3
132.02191	0.8
135.00900	1.5
136.01651	0.4
143.04991	1.0
145.02904	0.4
145.06572	0.4
151.00363	2.9
155.04893	0.4
157.06532	0.6
158.03691	0.4
159.04515	0.9
161.02422	0.3
161.04550	0.8
163.00375	2.7
165.01912	0.5
167.05035	0.6
169.01495	0.4
169.06555	0.6
171.04535	0.7
173.05974	0.4
177.01990	0.3
178.99811	0.4
183.04518	0.6
185.06055	1.8
187.03996	2.9
189.05565	0.9
190.99860	0.2
195.04510	0.8
196.05334	0.4
197.06071	1.0
199.03941	1.0
200.04605	0.4
201.05557	0.5
207.13887	0.3
211.04042	2.6
212.04851	0.4
213.05562	1.7
214.02699	0.4
215.03601	0.3
227.03481	33.1
228.03873	1.7
229.05031	11.0
229.07394	0.3
230.05338	0.6
239.03516	1.2
240.04243	0.8
241.04965	1.5
243.02989	0.5
251.12332	0.3
255.02963	54.4
256.03589	6.2
257.04541	7.0
267.03009	1.1
283.02350	0.4
284.03244	66.8
285.04013	92.4
286.04303	4.5
327.05026	1.1
366.57715	0.3
401.18164	2.7
431.18594	0.5
533.22198	4.1
593.15082	100.0
594.15399	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	593.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
58.00589	1.3
59.01376	100.0
67.09153	1.0
68.57531	1.0
69.43027	5.0
71.01379	68.3
72.99311	1.4
73.02943	12.4
75.00887	1.9
75.74728	1.0
83.01392	4.0
85.02966	9.9
87.00872	2.3
89.02440	98.0
96.36669	1.1
96.96022	6.6
97.02979	1.3
99.00877	1.3
99.70654	1.0
101.02440	58.2
102.02762	1.0
103.89558	1.0
109.77314	1.1
113.02448	12.9
119.03510	8.9
125.02448	3.5
128.87383	1.0
131.03490	30.5
131.04449	1.9
133.11462	0.9
142.42259	1.0
143.03496	3.4
149.04550	93.3
150.51207	1.0
161.04565	3.7
169.01427	2.4
191.05583	19.8
193.01483	1.5
240.74052	1.0
251.07680	2.4
267.47446	1.2
278.41812	1.2
293.08743	3.8
295.39169	1.1
299.02164	1.4
301.03439	2.0
311.09790	5.8
401.18146	2.4
446.08514	1.1
533.22314	5.7
557.22668	1.7
593.03003	1.2
593.14941	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	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
63.02391	0.6
65.00332	0.7
69.11623	1.9
70.91193	0.2
73.02946	0.5
81.41853	0.3
83.01376	0.6
85.02946	0.8
89.02430	0.8
93.03460	1.3
95.01405	0.3
98.22598	0.7
101.02419	1.7
101.34405	0.3
107.01403	1.6
108.02197	0.3
109.02940	0.5
113.02457	0.6
117.03468	0.5
120.02148	0.3
131.04994	0.4
132.02193	0.8
135.00877	1.1
143.04990	1.0
151.00354	3.0
155.05022	0.5
156.05849	0.4
157.06583	1.0
159.04500	1.1
161.04550	0.5
163.00356	2.8
164.01137	0.6
165.01978	0.4
167.05028	0.6
169.01408	0.4
169.06549	0.8
171.04480	0.9
174.03220	0.4
178.99828	0.4
182.03621	0.4
183.04520	1.1
185.06090	2.5
187.04007	3.0
189.05571	0.8
195.04536	0.6
196.05292	0.3
197.06108	1.1
198.60619	0.3
199.04008	0.9
200.04851	0.3
201.05531	0.5
211.04007	2.8
212.04852	0.4
213.05576	2.3
214.02740	0.3
215.03525	0.4
223.03978	0.4
227.03491	36.6
228.03960	1.4
229.05031	11.7
239.03435	1.9
240.04204	0.8
241.05026	1.8
243.02924	0.4
251.12688	0.5
255.02971	60.8
256.03571	5.7
257.04510	6.4
267.02917	0.8
284.03253	59.0
285.04016	83.3
286.04379	3.8
327.05096	1.0
357.06238	0.3
377.69489	0.3
401.18149	2.0
402.49896	0.3
431.18774	0.5
533.22424	3.6
534.22925	0.3
567.38470	0.3
593.15088	100.0
594.15344	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56890	0.2
55.60017	0.3
55.61082	0.2
59.01368	1.6
63.02398	0.8
65.00323	0.5
65.23295	0.2
69.12376	1.3
73.02959	0.6
83.01396	0.9
84.43863	0.2
85.02949	0.9
85.52480	0.2
89.02438	0.6
91.01846	0.3
93.03439	1.5
95.01374	0.5
99.48405	0.3
101.02417	1.4
107.01372	2.2
109.02965	0.4
113.02453	0.8
119.01344	0.3
119.03496	0.3
125.02428	0.4
126.16524	0.3
126.51491	0.3
132.02191	0.8
135.00900	1.5
136.01651	0.4
143.04991	1.0
145.02904	0.4
145.06572	0.4
151.00363	2.9
155.04893	0.4
157.06532	0.6
158.03691	0.4
159.04515	0.9
161.02422	0.3
161.04550	0.8
163.00375	2.7
165.01912	0.5
167.05035	0.6
169.01495	0.4
169.06555	0.6
171.04535	0.7
173.05974	0.4
177.01990	0.3
178.99811	0.4
183.04518	0.6
185.06055	1.8
187.03996	2.9
189.05565	0.9
190.99860	0.2
195.04510	0.8
196.05334	0.4
197.06071	1.0
199.03941	1.0
200.04605	0.4
201.05557	0.5
207.13887	0.3
211.04042	2.6
212.04851	0.4
213.05562	1.7
214.02699	0.4
215.03601	0.3
227.03481	33.1
228.03873	1.7
229.05031	11.0
229.07394	0.3
230.05338	0.6
239.03516	1.2
240.04243	0.8
241.04965	1.5
243.02989	0.5
251.12332	0.3
255.02963	54.4
256.03589	6.2
257.04541	7.0
267.03009	1.1
283.02350	0.4
284.03244	66.8
285.04013	92.4
286.04303	4.5
327.05026	1.1
366.57715	0.3
401.18164	2.7
431.18594	0.5
533.22198	4.1
593.15082	100.0
594.15399	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30971	1.5
53.83031	1.5
54.66306	1.9
55.50092	1.8
56.95442	2.0
61.67002	1.7
62.95906	1.9
69.58859	5.8
78.95899	64.2
81.66772	1.6
96.96951	8.6
122.04538	1.8
152.99583	92.5
156.61685	1.9
209.11847	3.3
223.00087	9.2
241.01175	26.7
277.21719	45.4
285.66638	2.2
315.04898	16.4
427.35745	2.1
447.54590	1.7
593.27301	100.0
594.27484	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	593.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
55.09347	2.2
57.03452	4.3
58.00584	3.1
58.03325	2.2
59.01378	74.7
62.22993	1.8
69.03436	3.2
70.81191	2.9
71.01379	41.1
72.99292	4.2
73.02952	20.7
83.01385	18.3
85.02948	22.2
86.00092	3.0
87.00866	7.2
87.04527	4.6
89.02434	19.8
94.06736	1.9
95.01385	5.8
96.02182	5.9
97.02950	4.5
99.00880	7.7
99.04509	16.9
101.02442	42.9
103.04014	2.7
112.59057	2.2
113.02448	16.1
115.03995	6.5
119.03493	7.5
125.02435	7.4
131.03494	2.8
141.01842	4.3
143.03476	9.4
159.02977	5.3
161.04521	8.8
163.06160	6.9
169.01398	6.2
189.12807	6.0
205.07217	2.4
207.13913	35.0
225.14914	7.9
251.12872	53.8
251.16617	2.7
255.02882	2.4
271.02518	4.6
284.03323	3.2
285.03983	4.3
289.06958	2.7
300.02652	4.7
301.03488	2.5
369.19150	21.4
371.20734	4.5
387.20258	28.4
389.21686	3.8
391.43625	2.4
413.18246	11.5
431.19070	27.9
441.08362	5.1
515.24969	60.6
516.24921	3.4
533.26086	100.0
534.26093	3.8
555.45374	2.1
593.14862	7.0
593.23370	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	595.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.5
69.35284	1.3
69.35691	1.2
83.01421	0.6
88.29646	0.5
107.01411	1.5
108.02168	1.6
124.01628	0.8
125.02440	1.1
135.00841	0.8
148.01694	1.7
151.00366	3.9
163.00435	0.8
164.01134	0.9
168.00652	0.6
169.01440	1.8
178.99814	2.7
199.04051	0.5
202.57639	0.5
211.02472	2.7
226.02742	1.8
227.03500	2.6
243.02977	10.5
244.03571	0.7
254.02209	1.8
255.02971	23.8
256.03262	0.7
271.02417	55.4
272.03027	2.7
274.40939	0.5
299.01981	1.5
300.02734	100.0
301.03378	8.7
331.06741	1.1
443.11972	3.3
445.07605	1.0
541.89185	0.7
595.13025	68.4
596.13214	3.6
619.11761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19783	0.7
59.01377	7.5
61.98818	0.7
66.94284	0.8
67.01890	1.2
69.03432	1.3
69.13295	4.9
71.01385	4.3
83.01397	1.6
85.02942	1.9
87.00872	1.1
89.02444	2.9
91.01788	0.7
93.03459	1.0
95.01370	2.5
97.02955	2.3
101.02418	3.7
107.01372	8.8
108.02188	1.2
109.02937	2.6
111.00882	2.0
113.02438	2.2
114.93404	1.6
115.57269	0.7
116.92838	0.8
119.03480	0.9
121.02979	3.8
123.00891	8.8
124.01659	8.9
125.02443	60.8
136.98801	1.3
137.02422	3.2
139.00380	2.0
140.01141	1.9
141.01955	1.7
151.00383	5.2
151.04030	1.0
153.01898	1.0
156.47214	0.7
166.99875	1.6
167.03499	1.2
168.00645	11.0
169.01414	86.2
170.01784	1.2
179.03349	0.7
181.01358	1.7
183.02980	1.2
191.05640	4.0
192.72267	0.7
193.01430	4.3
203.09187	1.9
209.04495	3.9
211.02461	33.8
223.02411	0.8
234.16296	0.7
235.02435	1.0
241.03577	1.9
253.03236	1.2
255.02672	1.7
261.62918	0.7
271.02499	2.5
271.04691	23.2
281.06564	1.3
299.43509	0.8
300.02759	7.0
301.00006	1.2
313.05621	5.3
331.06662	3.0
336.92059	0.7
391.10367	4.6
394.50821	0.8
399.04468	1.1
423.05731	12.5
443.11899	8.6
483.07803	37.5
484.08264	1.3
559.10083	1.3
595.13013	100.0
596.13245	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	595.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
60.23376	0.8
69.03450	1.1
69.29453	5.0
71.01376	6.1
73.47985	0.9
83.01392	1.0
87.00863	3.2
89.02444	6.0
93.03432	1.4
95.01398	1.4
97.02960	1.1
98.22625	1.6
101.02424	1.2
105.03497	1.5
107.01398	4.9
107.05032	2.0
109.02914	1.2
111.00842	1.7
117.03474	1.3
119.05060	2.0
121.02933	3.3
123.00906	5.4
123.04534	1.9
124.01669	14.5
125.02451	20.3
133.02937	2.5
133.05078	21.2
135.04510	2.2
136.01547	1.5
137.02438	4.6
138.03221	1.4
139.00389	1.7
139.04012	3.6
140.01147	3.1
145.02953	4.6
146.03807	1.3
147.04509	2.0
148.01654	1.5
148.59474	1.0
149.02444	5.9
151.00356	1.0
160.87518	0.8
161.02434	9.4
162.03223	6.2
163.03932	4.8
164.01161	6.5
165.01953	11.1
166.02740	2.4
166.99908	1.9
167.03529	1.4
168.00630	12.5
169.01430	23.4
173.02434	3.0
175.04053	1.2
177.01926	4.1
178.99883	1.7
179.03447	1.9
183.02989	4.7
189.01906	3.4
190.02718	11.3
191.03513	8.8
192.00650	68.7
193.01414	95.1
194.02126	7.7
203.03487	1.6
205.01428	8.6
205.05038	1.7
206.02206	9.7
207.02977	38.5
210.01738	1.2
211.02475	18.5
217.01372	0.9
219.02995	2.0
220.03854	1.8
221.00900	1.8
221.04459	1.8
222.01720	3.0
225.04008	2.5
232.03725	1.5
233.00864	1.1
233.04524	0.9
234.01686	27.1
235.02452	25.6
237.04004	1.4
246.01660	1.3
247.02495	2.2
249.04007	9.8
253.03432	2.5
259.02222	1.2
271.04651	2.8
276.02710	1.2
277.00598	1.0
277.03604	3.1
279.04938	1.4
294.03815	2.8
295.04529	3.5
309.06207	3.9
312.04782	5.1
313.05609	4.8
327.07227	8.4
335.67224	1.1
368.00397	1.1
385.07776	1.4
399.09003	1.3
429.10123	2.8
443.12045	1.1
461.07312	15.7
479.08279	63.0
480.08527	2.8
551.10376	46.0
552.10663	2.0
572.88452	0.9
580.11890	0.9
595.13031	100.0
596.13513	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	595.1667
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01368	4.5
68.99830	1.5
69.31248	1.8
69.31638	3.6
71.01377	3.2
79.01912	2.1
81.03455	2.0
83.01389	3.7
85.02948	1.6
89.02438	1.7
93.03465	9.4
95.01400	2.6
95.04967	1.5
96.96002	8.6
97.02946	5.1
98.35593	1.3
101.02441	1.2
107.01394	10.1
107.05029	2.4
109.02920	3.1
111.04512	1.4
113.02432	1.6
117.03421	1.6
119.05023	43.0
121.02966	3.6
123.00901	3.6
123.04507	3.0
123.18935	1.3
125.02449	13.7
133.02983	1.9
135.04517	3.1
136.01622	1.5
137.02454	6.2
139.03990	6.7
143.05003	5.2
145.02959	8.4
147.04533	2.2
149.02437	4.9
149.04526	2.2
150.03249	1.4
151.00317	5.2
154.27213	1.2
155.03526	1.4
159.04514	2.3
161.02452	2.3
161.06050	3.8
163.00377	4.3
163.04018	5.1
164.01166	1.3
165.01932	6.3
165.05363	1.5
167.03473	11.3
169.01424	4.2
175.03935	1.7
177.01878	6.3
178.02751	1.7
179.03491	4.4
187.03973	7.2
189.01880	1.7
191.03516	4.3
191.05620	4.1
193.01378	9.0
197.04489	4.4
197.06104	1.5
197.35699	1.3
199.07585	3.0
205.01418	6.2
205.05064	2.1
207.02995	4.9
209.04510	4.5
219.02951	3.8
221.04529	1.8
223.02414	3.3
223.39677	1.2
227.07124	2.8
232.00214	1.3
233.04431	2.1
235.02454	17.4
239.05513	2.8
247.02408	2.2
249.04048	2.5
261.03973	2.4
265.03577	7.3
265.08627	1.5
271.06039	4.2
283.06079	2.2
299.01889	2.5
313.07150	21.2
325.07132	10.4
339.08844	1.3
343.08267	8.6
353.06537	1.1
355.08209	87.4
356.08411	3.7
367.08191	4.8
369.09760	2.1
385.09280	64.9
386.09619	3.7
397.09360	3.6
415.10257	18.0
425.26633	1.3
427.10025	1.7
457.11407	8.3
463.08853	1.3
475.12460	37.9
487.12393	4.6
505.13358	10.1
577.15356	3.6
595.16681	100.0
596.16675	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	81.8
61.98825	4.2
69.03457	4.0
69.07533	1.0
69.14262	6.2
71.01377	28.8
72.17614	1.1
73.02938	14.4
81.03468	1.5
83.01382	4.0
84.04563	1.2
85.02952	10.4
86.49289	1.2
87.00838	1.3
89.02440	21.5
92.02671	7.8
93.03457	93.9
95.01379	1.7
97.02961	5.2
99.00883	1.4
101.02444	26.3
103.04011	22.1
107.05031	5.1
108.02176	2.4
109.02963	1.7
113.02444	1.9
115.04041	1.3
116.22482	1.1
119.03497	13.0
121.02952	50.8
125.02442	24.1
127.03986	2.6
136.01631	1.8
137.02438	84.7
143.03511	2.6
145.05022	3.9
149.02429	1.2
151.03983	4.2
155.47998	1.1
163.06110	22.6
179.03485	2.6
183.07974	1.4
197.06075	13.7
199.07629	5.2
205.07104	1.8
227.07124	100.0
228.07448	4.2
247.08122	7.2
281.06586	5.7
307.10382	15.4
427.12402	37.6
428.12711	1.7
559.51208	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	595.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03445	2.3
58.00585	1.1
59.01377	90.9
61.98820	4.4
71.01380	65.0
72.99302	2.9
73.02933	12.2
75.53789	0.8
76.73808	0.8
83.01388	2.8
85.02950	11.7
87.00889	2.3
89.02443	95.5
93.03463	1.4
96.78976	0.8
96.96000	11.0
97.02925	1.4
98.22669	3.3
99.33191	1.0
101.02441	51.7
105.99063	0.9
109.02962	2.1
113.02447	12.0
113.16467	1.0
119.03522	8.9
119.04996	4.8
123.04458	1.1
125.02438	4.4
131.03491	32.9
143.03471	2.3
149.04550	100.0
150.04924	1.2
161.04568	3.3
165.01901	1.5
165.09222	3.9
167.03525	2.4
169.01416	2.9
169.99663	1.0
177.01884	1.4
187.04161	1.3
191.05589	35.7
193.01318	1.5
222.31784	0.9
235.02351	1.3
281.08774	1.5
293.08759	3.4
301.00006	2.1
311.09695	5.5
313.07162	2.4
355.08218	13.2
385.09219	9.6
415.10382	2.0
457.11536	1.7
466.57367	1.0
475.12448	3.9
535.24170	1.3
595.16644	12.4
596.17438	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	597.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90893	0.2
55.71079	0.2
62.98944	0.2
71.78946	0.2
72.42703	0.3
72.72933	0.2
98.22639	0.8
99.92581	9.2
114.93429	0.3
116.92860	100.0
116.98286	0.7
117.92859	2.6
123.00868	0.4
125.02461	0.6
168.84877	0.2
169.01373	0.5
192.00664	0.9
193.01442	1.8
207.02937	0.3
234.01578	0.3
264.28159	0.2
479.08383	3.6
542.98962	0.6
544.95374	0.3
561.00079	1.0
597.13727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98822	2.2
64.29361	0.5
71.01382	2.0
73.02895	0.5
81.20100	0.5
84.93849	3.1
96.96004	9.8
98.95590	6.2
98.96401	1.1
99.00871	0.7
99.92583	32.2
100.14857	0.6
100.92664	1.0
100.93353	13.4
101.02448	0.8
108.02180	5.7
109.02975	6.1
113.02402	0.7
114.94913	1.5
115.92071	18.2
116.92854	100.0
117.92868	1.6
123.00857	1.2
125.02467	1.8
126.95002	1.0
134.03561	0.6
139.11301	0.7
141.93573	0.8
142.94420	0.8
147.38850	0.6
154.94342	0.7
158.93901	1.0
161.04636	0.7
168.96074	0.7
171.10202	0.8
171.94698	1.1
191.95107	0.7
224.94992	0.8
233.02635	1.4
252.00844	1.7
252.98769	0.6
263.03522	0.7
265.05298	1.3
267.03171	0.6
271.08359	0.8
279.03391	0.8
280.03809	1.1
281.04761	6.6
281.07190	0.9
282.07410	1.0
283.07010	1.0
309.04337	13.3
310.05038	1.3
325.03644	1.1
326.04401	0.7
343.21201	2.8
351.05682	1.5
379.05295	0.6
399.07874	0.7
452.07690	1.0
453.08612	1.1
505.07874	0.8
517.11700	11.4
535.12726	2.5
537.15533	1.4
549.10327	0.6
561.10718	20.3
562.10815	1.8
579.11273	1.4
597.12701	26.3
597.32220	0.9
598.13000	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	83.6
60.64459	1.8
67.05537	2.2
71.01378	43.2
85.02956	57.4
86.43786	1.8
87.00874	3.4
89.02442	66.6
89.64506	1.8
95.01372	3.3
101.02438	20.5
102.42759	1.8
111.04538	2.6
113.02444	17.1
119.03494	22.1
119.05024	5.3
121.35433	1.8
125.02444	28.1
129.05577	48.1
143.03482	5.1
161.04539	7.0
163.04025	6.4
165.26553	1.8
179.05608	49.2
205.04477	1.9
256.04468	1.7
287.07721	5.9
309.11911	100.0
359.14377	2.1
497.56116	2.0
499.15945	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	597.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.1
58.00607	1.0
59.01377	61.9
61.98816	1.5
68.25732	0.9
69.03445	1.1
71.01380	48.6
72.99293	1.4
73.02944	10.6
74.11624	0.9
80.90911	0.9
83.01363	2.8
85.02965	8.9
87.00864	2.0
89.02443	61.7
95.01392	1.4
99.00823	1.1
101.02442	28.3
113.02454	10.5
119.03497	5.7
119.04980	1.0
121.02920	1.6
125.02459	5.0
131.03499	17.3
134.07378	1.9
137.09715	1.5
139.07626	1.6
143.03450	1.6
149.04549	41.5
149.09709	21.0
150.04922	1.0
153.09222	7.7
161.04561	2.3
167.10777	25.7
169.01393	1.2
175.66260	1.0
179.05597	2.0
191.05629	10.8
220.01598	0.8
225.14925	3.2
243.15979	2.1
293.08740	3.3
333.11887	1.0
333.69244	1.1
345.13406	1.1
405.21228	11.7
423.08997	1.1
537.25519	100.0
538.25775	7.2
593.26544	1.1
597.17535	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	597.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43419	0.4
51.51726	0.4
52.04432	0.4
54.27952	0.4
56.67595	0.4
57.03442	1.8
59.01371	3.0
61.98826	7.8
65.03948	0.9
68.51031	0.4
69.03458	1.3
71.01379	9.0
71.04987	0.6
71.45895	0.5
72.99304	0.7
73.02947	2.8
74.03301	0.4
78.91901	0.8
79.77804	0.5
79.99210	0.5
81.03456	1.5
83.01385	0.8
83.05026	1.9
85.02943	5.2
85.06584	1.8
87.00871	0.6
87.04501	1.2
89.02443	0.7
89.75169	0.4
92.77215	0.5
93.03440	0.5
95.01384	1.7
95.05042	0.6
97.02938	1.2
97.06595	4.7
99.00882	0.9
99.04518	1.0
101.02444	5.8
108.02170	20.3
109.02952	34.5
111.04465	0.4
113.02457	6.1
113.06076	0.6
115.07658	1.1
116.92878	1.4
119.08688	0.6
121.06586	1.3
123.00885	1.6
123.04514	0.6
125.02451	1.1
125.09708	2.0
127.88095	0.4
137.02446	0.8
138.55684	0.5
143.03461	1.0
151.04001	0.8
159.02974	1.5
161.04564	13.2
163.11295	0.8
165.12849	0.6
171.10254	1.0
185.11838	4.4
185.57394	0.5
197.11848	1.4
209.11827	19.5
211.13379	2.0
225.14958	2.8
227.12932	0.8
235.13431	1.5
237.14952	9.0
249.14879	1.3
255.15990	1.6
267.16187	0.6
269.08371	0.5
271.08197	7.0
289.18011	0.8
299.01978	0.7
307.19022	0.6
311.09583	0.4
325.20163	5.9
343.12781	2.3
343.21234	100.0
344.21552	4.2
367.21289	2.3
380.43518	0.5
385.22305	1.2
391.10660	0.5
391.21359	0.8
399.23813	0.9
409.22592	0.8
427.13858	0.6
439.23352	1.2
487.25443	0.6
597.29218	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	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98823	2.1
69.25288	0.4
70.97731	0.5
70.98071	0.4
71.01370	1.0
78.91208	0.4
81.03458	10.9
81.03934	0.8
83.05022	31.3
84.05352	0.5
85.02925	0.6
87.38148	0.4
87.54034	0.4
89.02422	0.8
89.25571	0.4
100.07676	4.7
107.01410	0.6
107.10764	0.4
113.02435	0.5
116.92844	1.2
121.02947	0.5
123.00832	0.6
123.04493	0.5
124.01643	0.7
125.02444	1.4
125.07189	0.5
126.05597	0.7
133.05025	0.5
134.98210	0.4
151.03951	1.0
161.02394	0.7
169.01389	1.4
170.01744	0.5
190.02693	0.7
192.00671	2.9
193.01401	4.0
194.01735	1.2
195.01944	1.5
199.18156	5.8
205.51395	0.5
206.02051	0.5
207.03062	0.9
208.03322	0.6
209.03380	0.6
224.17799	0.6
225.16054	8.1
235.02313	0.7
236.02611	0.5
243.17117	16.3
269.15048	1.7
287.90198	0.5
303.05130	0.8
308.96579	0.5
309.21823	0.9
353.20789	6.4
451.32916	1.8
463.07709	0.5
469.33987	13.1
470.34338	0.6
479.08981	0.5
480.08691	0.8
481.08826	3.5
535.39270	0.5
553.11157	3.6
579.37634	3.0
597.13611	6.4
597.38654	100.0
598.38971	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	7.6
61.98809	3.4
63.81002	0.9
64.24913	1.0
69.15453	1.1
71.01363	1.1
71.43357	0.9
72.46053	0.9
74.02467	13.9
81.04565	0.9
81.32887	1.0
82.02955	1.8
86.02466	4.2
87.05636	2.8
89.02445	1.5
93.71780	1.0
97.04092	1.6
99.05624	12.9
101.07180	2.2
102.05626	1.1
109.04072	2.8
112.04008	2.0
120.01189	1.0
123.05605	1.8
127.05139	1.9
128.03531	30.3
135.05649	4.3
139.45367	1.0
141.06654	2.7
143.04613	49.4
145.06197	2.2
146.04568	4.3
153.06685	3.3
160.00748	11.2
166.09859	1.5
167.04601	4.0
167.08206	1.6
169.41249	1.0
171.10280	2.8
177.03389	4.2
179.04620	8.3
185.05692	1.6
197.05705	1.5
209.11855	2.7
210.08829	9.9
254.07784	14.8
272.08862	26.8
276.00366	1.0
288.06677	9.1
293.03378	0.9
306.07629	100.0
307.07803	3.0
345.26474	1.0
598.28088	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	599.1041
Annotation	Bromophycolide G
Peak:m/z	Relative Intensity
59.01379	1.6
61.98808	4.8
63.90197	1.0
71.01373	2.5
71.92900	1.0
93.03455	63.3
101.02423	1.3
105.03455	1.4
107.01382	3.4
111.00842	1.5
112.99510	1.1
121.02993	1.9
123.00880	3.0
124.01662	6.6
124.98282	1.1
125.02431	11.5
135.04500	1.6
137.02441	100.0
137.16124	1.1
139.04012	2.8
140.01146	1.3
145.02911	2.1
149.02472	4.6
151.03978	1.1
161.02412	6.3
162.03204	4.6
163.04063	2.7
164.01155	3.7
165.01897	5.9
166.99858	1.7
168.00635	6.2
169.01416	12.9
171.10263	20.2
172.54535	1.0
177.01891	1.6
178.99767	1.9
179.03476	1.7
183.02872	2.6
189.01907	3.5
190.02698	6.1
191.03441	2.6
192.00642	47.3
193.01401	49.3
203.03517	1.3
205.01408	3.5
206.02199	5.4
207.02968	37.8
209.11815	17.0
211.02473	14.3
221.01018	1.3
221.04539	1.4
234.01683	13.7
235.02452	23.6
249.04034	5.7
253.09439	1.3
277.03653	2.0
294.03922	2.1
295.04672	2.7
309.06314	2.6
313.05777	2.0
433.07614	4.9
446.04208	1.2
447.09418	7.8
461.07272	21.5
462.07779	1.5
479.01520	1.3
479.08334	21.5
581.29407	1.5
599.10388	78.9
600.10535	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	599.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10763	0.1
54.97327	0.1
57.03436	0.1
59.01404	0.2
61.98828	4.4
63.02394	2.3
63.02687	0.2
65.00318	3.9
67.01904	0.2
69.03443	0.2
69.51443	0.6
69.63282	0.1
71.01411	0.3
79.01869	0.1
83.01383	2.9
85.02979	0.3
91.01925	0.5
93.03455	1.5
95.01405	0.5
95.05082	0.1
96.92814	0.1
101.02477	0.3
107.01388	9.8
108.02174	0.9
109.02949	4.0
109.03675	0.2
110.83626	0.1
113.02458	0.3
114.15907	0.1
117.03465	0.1
119.01376	0.7
121.02947	8.7
123.00887	1.4
124.01656	0.7
125.02448	1.8
131.04991	0.2
132.02216	0.2
133.02957	0.2
134.03764	0.7
135.00862	0.7
135.04532	0.2
136.01677	0.2
137.02470	0.4
139.04033	0.5
143.05048	0.2
147.04526	0.2
148.01665	0.3
149.02431	1.2
151.00365	35.2
152.00844	0.4
155.05087	0.2
155.10857	0.3
155.58827	0.2
157.06566	0.2
158.03781	0.1
159.04486	1.0
160.01622	1.2
161.02441	1.0
161.04568	0.2
161.06000	0.3
163.00363	4.1
163.04013	0.5
164.01131	0.4
166.33846	0.1
166.98645	0.2
166.99788	0.8
167.04987	0.3
168.00647	0.3
169.01430	2.7
171.04555	0.2
171.10258	0.2
173.06139	0.5
174.03259	0.2
175.03970	1.6
177.01965	0.2
178.99850	16.1
180.00209	0.3
183.03011	0.2
183.04388	0.8
185.02507	0.2
185.06017	0.5
187.03998	0.8
189.05579	0.4
190.02701	0.4
190.99878	0.4
192.00630	0.6
193.01434	0.6
193.05098	0.3
199.03986	0.3
201.05560	0.9
203.03532	0.5
205.04973	0.4
208.49617	0.1
211.03995	1.8
212.04782	0.3
213.01901	0.3
213.05545	0.3
214.02754	0.3
215.03464	0.3
217.05016	0.2
227.03484	1.6
228.04091	0.2
229.05060	1.5
231.03053	0.2
234.01707	0.3
239.03412	0.7
240.04240	0.3
243.02940	0.5
245.04509	2.8
246.01608	0.2
249.03983	0.3
255.02962	4.1
256.03613	0.6
257.04660	0.7
266.02261	0.2
271.02487	1.2
271.08188	0.2
272.03171	0.2
273.04022	2.6
283.02435	2.1
284.03183	0.3
285.99957	0.1
291.05014	0.2
293.06323	0.1
297.05942	0.4
299.01840	0.5
300.02676	1.2
301.03510	100.0
302.03839	2.7
313.05585	0.2
345.22684	1.5
388.48096	0.2
401.04883	0.3
401.25433	0.3
405.07935	0.3
430.07382	0.1
447.08701	0.4
599.10181	9.0
600.11084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13828	0.7
55.47680	0.6
60.25607	0.7
60.99866	0.6
61.98821	1.3
64.03188	0.7
65.00283	1.0
67.01879	0.6
69.80218	1.7
75.86446	0.6
78.01058	0.6
79.01871	0.8
80.14619	0.6
93.03457	17.9
95.01321	2.1
97.02860	0.6
105.03380	0.9
107.01407	5.4
107.04983	1.5
108.02120	1.5
109.02978	3.9
111.00813	1.1
117.03385	1.8
119.04977	1.1
121.02899	1.8
123.00111	0.6
123.00870	7.9
124.01659	14.8
124.24856	0.7
125.02444	23.6
133.02975	3.1
134.03738	3.7
135.04526	3.4
136.98819	0.9
137.02441	14.4
138.03088	1.2
139.00322	1.4
139.03931	2.7
140.01039	1.9
145.02942	3.7
149.02356	2.0
151.00291	2.3
151.03973	1.4
160.01649	3.6
161.02438	12.0
162.03239	4.8
163.00307	0.8
163.04050	4.3
164.01053	1.2
165.01915	6.5
166.99779	1.1
167.03413	1.1
168.00635	8.7
169.01419	21.0
173.02361	2.5
174.03171	0.7
175.03998	5.9
177.01808	2.3
178.02650	1.2
178.99741	0.7
179.03468	3.4
183.02985	5.7
187.03973	1.0
189.01917	3.7
190.02715	9.8
191.03505	8.5
192.00633	10.8
193.01422	8.8
193.04935	2.8
203.03395	0.9
205.01413	6.9
205.04843	1.3
206.02185	9.1
207.02974	25.2
211.02457	7.8
215.03322	0.8
217.01283	1.5
218.02266	0.8
220.03691	1.2
221.04463	1.9
233.00786	1.6
233.04462	0.9
234.01689	23.2
235.02458	25.0
245.00763	0.8
246.01476	2.5
247.02319	1.4
249.04050	10.5
259.02441	1.0
265.03204	0.7
277.03586	3.5
294.03589	1.8
295.04593	3.6
301.03168	1.1
309.06213	3.6
327.07053	0.8
345.22412	1.0
433.07596	5.7
447.09094	3.5
461.07260	6.8
584.07617	1.7
599.10181	100.0
600.10590	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	599.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62915	0.3
56.63268	0.3
59.01384	0.7
61.98825	2.7
65.00311	0.8
67.01886	1.2
68.99824	0.4
69.03442	1.3
71.01384	2.1
72.99274	0.4
73.02917	0.6
78.01102	0.7
79.01899	2.0
81.03456	0.7
82.00609	0.4
82.95404	0.5
83.01377	1.0
85.02928	1.0
86.00121	0.3
87.00884	0.7
89.03962	0.3
93.03460	3.1
95.01395	2.5
97.02964	1.2
101.02442	0.7
106.00628	0.3
107.01391	10.9
107.05037	0.6
108.02171	6.9
109.02952	10.2
110.00068	0.3
111.00881	2.4
113.02450	0.9
117.03487	1.3
119.05010	0.5
121.02934	1.0
123.00886	13.9
123.04526	0.4
124.01671	12.7
125.02443	37.8
126.02789	0.7
127.00375	1.2
132.02147	1.5
133.02980	1.6
134.03735	12.7
135.04520	3.0
136.98788	1.5
137.02449	2.5
139.00386	3.1
139.03992	2.0
140.01149	3.5
141.01924	2.1
145.02968	0.6
147.04544	0.4
149.02426	0.8
149.06065	2.0
151.00369	7.3
151.03978	0.8
152.01187	0.4
153.01938	0.6
154.99866	0.4
159.04619	0.4
160.01643	10.4
161.02440	10.1
161.03706	0.6
161.04497	0.4
162.03166	0.6
163.00363	0.4
163.04073	0.9
164.01166	0.4
165.01939	0.8
166.99884	1.3
167.75826	0.3
168.00635	7.0
169.01418	36.4
170.01772	0.5
171.10275	0.5
175.02486	0.7
175.03998	13.8
177.01955	0.6
177.05484	0.4
178.02733	1.2
178.99855	2.1
179.03502	2.9
183.02982	3.5
189.01971	0.7
190.02766	1.2
191.03560	1.1
192.00668	1.0
193.01439	1.8
193.05049	9.0
193.06721	0.6
201.05661	0.3
203.03482	0.7
205.01447	0.6
206.02266	0.9
207.03023	2.7
211.02374	1.5
223.02477	0.4
234.01682	2.5
235.02512	3.1
246.01796	0.6
247.06224	0.3
249.04083	1.0
255.02942	0.5
271.02542	0.9
277.03513	0.7
294.03845	0.5
295.04526	0.5
300.02921	0.9
301.03513	9.2
309.06033	0.5
313.05536	0.5
323.07733	0.7
337.09427	1.1
345.22775	2.3
415.10245	2.0
423.09561	0.6
432.08588	0.4
433.06836	0.6
433.12274	2.1
447.13431	1.5
461.07330	0.5
464.09079	0.4
489.10266	2.9
539.31104	0.6
599.14154	100.0
600.14539	5.9
612.54260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17298	0.4
57.03446	1.4
59.01372	1.9
61.98534	0.8
61.98829	8.7
65.00320	0.5
69.03459	0.7
71.01379	9.4
71.05022	1.0
73.02935	2.8
73.95461	0.4
81.03458	1.0
83.01386	1.2
83.05013	1.2
84.66470	0.4
85.02954	4.9
85.06570	2.7
87.00824	0.5
89.02477	0.5
95.01374	1.6
96.96012	1.8
97.02962	0.9
97.06602	1.2
99.00896	1.4
99.04550	0.9
101.02433	4.0
108.02174	18.2
109.02953	29.5
113.02436	5.8
113.06060	0.5
115.07665	3.3
116.92867	0.8
119.99221	0.4
123.00867	1.0
123.04509	0.6
123.08186	0.5
125.02449	1.6
125.09743	0.7
127.11259	0.9
132.02141	0.6
134.03732	1.4
135.04504	0.6
143.03456	0.5
151.04005	0.9
152.07127	0.5
159.03000	1.0
160.01659	5.1
161.02426	1.1
161.04547	11.0
167.10742	0.5
169.01442	1.0
171.10249	3.6
171.27783	0.5
175.03995	5.7
183.13863	2.2
185.11842	0.7
193.05023	1.2
193.12317	1.1
195.13953	0.6
197.11850	2.0
209.11839	1.9
211.13393	15.4
212.13689	0.5
229.14433	20.5
250.65045	0.5
251.16624	1.0
255.03055	0.7
268.07306	0.6
269.17499	0.9
271.02347	0.8
271.08218	8.0
291.19824	0.6
292.00015	0.6
293.00934	1.3
294.01553	0.5
299.99634	0.5
300.02545	2.2
301.03427	2.0
307.99686	1.0
309.20703	1.8
321.00314	0.9
322.01099	2.3
323.01874	0.9
323.99005	0.8
327.08817	0.9
327.21774	5.8
336.99860	3.1
339.01428	1.2
345.22791	100.0
346.23203	3.9
350.00464	0.5
364.99338	2.3
366.00037	0.6
369.22961	1.6
375.98541	0.6
376.99246	0.6
378.00076	0.8
381.22800	1.0
387.23795	0.8
399.23569	0.5
401.25540	0.6
411.10980	0.4
419.00381	1.7
436.00427	0.7
437.01437	9.3
437.25284	0.6
438.02005	0.8
441.24982	1.0
447.08493	2.4
447.13010	5.8
489.26746	0.9
569.16626	0.7
581.16425	1.2
599.06415	6.5
599.15302	0.9
599.31281	5.8
600.06982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	1.9
71.01346	3.6
82.95414	11.8
85.02945	2.2
89.02369	2.3
93.03452	2.6
107.01347	2.8
109.02899	5.2
112.31234	1.8
119.04952	1.7
121.02876	2.8
123.00852	2.3
124.01573	2.5
125.02465	20.5
126.37017	2.0
133.02896	3.4
135.04489	3.0
137.02379	5.7
142.96632	1.9
145.02887	3.1
147.04451	2.5
149.02359	6.3
151.00337	2.7
157.02878	1.6
161.02457	9.2
163.03966	2.6
164.01067	5.9
165.01826	5.5
166.02538	4.1
169.01430	14.2
173.02464	3.6
175.03943	3.7
177.01860	4.7
178.99716	3.9
179.03419	2.2
189.01953	8.8
190.02733	12.9
191.03525	12.2
192.00641	53.0
193.01404	77.9
194.02025	4.2
201.01877	4.5
203.03535	9.2
205.01237	5.2
206.02115	3.6
207.02956	14.0
211.02364	2.1
217.01373	11.4
218.02007	4.9
219.02982	9.1
221.00732	3.8
223.02284	2.3
229.01236	6.1
233.00713	2.2
233.04448	1.8
234.01672	9.0
235.02499	14.4
244.81636	1.9
245.00903	12.7
246.01697	3.4
247.02417	18.5
249.03850	3.5
259.06027	4.2
269.04510	12.5
271.04385	4.4
273.00409	16.1
277.03375	4.4
295.04376	2.7
300.99808	4.0
305.02814	3.8
313.05670	12.6
333.02536	11.5
347.16934	5.2
393.04434	2.3
423.08945	4.4
545.09216	15.5
573.08875	38.9
583.10736	2.0
601.08105	100.0
602.08746	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	601.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
59.75742	0.5
60.86317	0.5
61.98823	8.0
65.00316	0.7
65.46919	0.6
69.32751	3.0
71.01410	1.0
73.02968	0.7
89.02471	0.6
100.22895	0.6
101.02479	0.8
107.01418	1.4
109.02963	1.9
121.02931	0.8
123.00900	1.1
123.39111	0.5
125.02446	13.8
151.00337	3.3
152.00697	1.1
153.00827	0.6
163.00389	0.7
165.61293	0.5
169.01506	2.8
178.99873	1.0
191.56021	0.5
197.99638	1.1
199.00412	0.9
201.11369	0.8
213.99054	1.9
214.99893	1.7
241.98654	1.9
242.99294	6.0
244.00041	0.8
266.09100	0.6
269.98044	17.1
270.98825	72.3
271.99277	2.3
283.99692	2.8
285.00406	6.6
297.97525	28.2
298.98325	84.9
299.99094	48.2
300.99704	1.8
301.03540	6.6
302.03897	5.7
303.04092	6.0
312.99899	96.9
314.00665	79.2
315.01431	43.0
316.01923	1.2
323.99069	0.8
334.00833	0.9
347.24496	3.0
364.20728	0.6
405.99597	1.9
421.01987	18.7
438.02274	0.9
439.03021	2.8
601.08350	100.0
602.08612	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	601.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45292	2.1
58.00595	2.8
59.01378	85.3
67.05522	6.2
71.01382	46.0
71.44949	1.6
72.98042	1.7
72.99285	1.6
73.02927	2.2
73.06339	1.6
73.12887	1.8
79.19550	1.7
82.53125	1.9
83.01379	2.2
85.02948	100.0
88.64729	1.9
89.01925	3.5
89.02442	49.0
95.01376	5.6
101.02442	19.5
109.02980	2.0
111.04517	35.1
113.02432	16.8
114.82230	2.0
119.02749	2.1
119.03506	18.4
123.00919	9.1
125.02467	3.0
129.05573	48.3
139.00360	2.0
143.03461	4.1
149.04485	1.9
161.04536	5.0
166.99796	4.3
169.01422	2.8
179.05588	19.8
197.08177	26.9
198.08412	2.0
199.07176	2.2
203.03380	2.1
203.87540	1.5
212.30818	1.7
223.09743	8.7
229.01340	3.1
241.10814	72.5
242.11156	2.4
257.00821	1.9
275.01889	5.1
291.10876	5.4
300.99957	21.3
309.11987	13.0
313.05576	2.5
316.69925	1.8
336.65091	2.4
377.14227	3.0
421.08459	16.7
421.17120	92.3
422.17407	7.0
423.09204	7.7
439.86566	2.2
466.03174	2.4
476.54446	2.0
601.23535	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	601.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
64.90771	2.2
70.07393	5.0
70.07758	4.1
71.01379	42.5
72.23367	2.1
79.09473	2.3
85.02947	58.7
87.00883	3.2
88.91483	2.2
89.02442	72.5
94.65311	2.3
95.01365	2.8
98.22578	3.0
101.02448	21.4
106.25027	2.4
113.02480	16.1
119.03511	28.0
122.22606	2.7
129.05576	51.7
131.03487	2.8
141.10283	2.8
143.03514	5.4
154.50476	2.4
161.04596	7.0
179.05615	53.6
189.10268	2.5
309.11905	95.7
349.03741	2.5
398.43716	2.6
428.48822	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.7
59.01378	100.0
59.47324	1.8
67.05528	3.7
70.51124	2.7
71.01381	54.6
71.01782	2.8
71.23294	2.0
72.99311	2.0
79.61198	2.1
85.02951	69.8
87.00882	2.2
89.02445	70.0
95.01386	3.7
98.21989	2.9
101.02451	22.9
112.38660	2.2
113.02443	23.4
119.03514	30.5
129.05576	55.6
131.03491	3.7
143.03500	6.7
149.04527	2.6
161.04500	11.1
179.05606	46.8
301.44864	1.9
309.11896	91.6
310.12360	3.9
344.06140	2.1
372.22751	2.3
400.58920	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70388	1.2
55.01853	1.4
56.62920	0.9
58.00611	1.3
59.01376	66.3
65.03970	10.2
67.01888	2.6
67.05535	3.5
69.03433	1.0
71.01379	38.5
71.05018	1.4
71.44781	1.1
72.99316	2.0
73.02952	3.2
75.00869	2.1
76.87681	1.2
81.03459	3.1
83.01397	2.4
83.05013	7.8
85.02946	86.9
85.06585	1.2
86.03323	1.1
87.00881	1.6
89.02442	40.6
91.05521	8.1
93.03456	4.1
95.01407	3.9
95.05027	2.9
96.95991	1.5
97.02993	1.6
97.06612	1.5
99.04529	7.0
101.02441	28.8
105.01951	1.2
107.03490	1.1
107.05042	1.7
108.76775	0.9
109.02950	28.3
109.06591	4.0
111.04520	22.8
113.02441	15.5
119.03493	24.8
121.06606	1.1
123.00921	1.6
125.02457	2.4
125.06068	4.8
127.04009	34.7
129.05577	86.0
130.05919	1.3
131.03499	1.6
135.04515	20.9
139.04008	12.9
139.07669	1.2
143.03493	4.1
143.07133	2.4
149.04628	1.3
152.28419	0.9
153.05574	57.1
161.04555	9.2
165.05556	1.9
169.01440	2.2
169.05043	1.7
171.06624	19.1
179.05592	33.8
183.06596	11.6
187.00330	1.6
187.06062	1.8
188.61298	1.1
191.39415	1.0
201.07733	2.2
213.07700	3.8
214.99951	1.5
219.08781	2.1
231.08713	17.6
273.09674	2.4
275.02057	2.1
291.10901	9.2
300.99829	7.0
309.11914	11.1
320.06226	1.0
377.14557	2.2
391.03033	2.5
403.16034	3.8
421.07800	3.3
421.17117	100.0
422.17471	4.2
439.08771	1.6
486.57648	1.0
487.66586	1.0
601.04742	3.0
601.23505	26.2
602.24255	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	603.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98819	0.2
62.12435	0.2
69.03448	2.1
71.01375	0.8
72.18416	0.2
76.28061	0.2
79.01900	0.4
81.03450	1.4
82.95415	0.2
83.01399	0.4
84.95132	0.3
85.02953	0.8
93.03455	2.6
95.01381	0.4
96.96018	0.2
97.02967	1.7
101.02459	0.4
107.01385	2.4
108.02184	0.2
109.02961	0.4
111.00828	0.2
113.02436	0.4
123.00858	1.7
123.46133	0.2
124.01666	1.8
125.02442	58.6
126.02792	0.9
137.02437	5.8
139.03899	0.2
140.01132	0.5
141.01942	0.3
148.99152	0.2
151.00320	1.2
168.00616	0.9
169.01418	100.0
170.01746	1.6
177.01918	0.2
191.03679	0.2
191.05577	0.7
193.01428	1.2
211.02467	1.4
281.06769	0.5
295.04550	0.3
298.98663	0.2
300.99817	0.4
313.05740	1.0
391.06482	0.5
433.07724	7.5
434.07837	0.3
451.08768	1.3
459.11185	0.4
465.07144	1.1
567.17175	2.4
603.09851	4.0
603.25055	0.3
604.09894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15985	0.6
69.03458	1.4
69.14463	4.1
79.01884	1.0
81.03445	1.6
89.03979	1.9
91.01905	1.0
95.01384	1.1
95.03169	0.6
95.05071	0.7
95.14703	0.6
97.02929	1.5
107.01363	1.5
109.02212	1.3
109.02953	24.7
116.15956	0.6
119.05035	1.1
122.58997	0.7
123.00871	3.8
123.04519	9.3
124.01645	1.6
125.02444	54.8
129.72101	0.6
133.02943	9.2
135.04532	1.9
137.02438	1.3
137.82661	0.6
145.02945	13.0
146.03546	0.6
146.13237	0.6
146.31400	0.7
147.04503	3.4
149.02454	1.6
150.03267	1.1
151.04015	6.1
159.04514	1.3
161.02440	4.7
166.99878	2.3
169.01425	100.0
170.01820	1.6
175.03928	0.8
176.01233	1.2
177.01926	83.1
178.02275	1.3
187.03970	2.6
189.01932	52.5
190.02679	9.5
191.03465	10.2
193.01401	5.6
201.01910	5.6
203.03546	5.9
205.01352	0.8
216.00618	7.8
217.01410	37.5
218.02090	2.2
219.02991	12.2
231.02991	11.3
245.04521	0.9
255.03078	6.0
261.05743	0.8
271.06204	0.9
273.99738	0.7
275.05667	1.1
279.06534	0.9
281.04568	1.9
282.01779	0.7
287.05591	1.1
289.07098	1.3
297.03992	2.8
297.07285	1.0
299.05640	2.2
303.05020	1.7
305.04391	1.0
308.03580	1.3
312.10269	0.7
323.05597	41.6
324.05991	2.4
327.05023	1.4
338.28995	0.7
339.05042	2.0
341.06641	65.4
342.07037	2.5
383.04013	1.8
433.09332	14.1
435.10825	2.5
449.08585	1.2
451.10345	61.7
452.10715	2.1
493.07834	9.4
603.11401	41.0
604.11761	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	603.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61934	0.9
57.80812	1.0
58.40325	1.1
59.01376	2.5
61.98824	2.2
69.03467	1.4
69.83168	1.3
69.83504	2.1
78.95904	1.3
79.79641	1.0
81.03453	1.9
82.95424	1.4
89.03961	2.3
95.01340	1.6
97.02943	1.2
98.22509	1.3
100.47581	1.5
107.01367	2.2
108.02164	1.4
109.02955	31.9
117.03456	1.7
119.04962	1.1
121.02972	1.8
123.00888	3.9
123.04519	11.0
124.01663	2.7
125.02448	58.7
133.02946	11.8
135.04488	2.9
137.02426	1.8
138.91536	1.2
145.02951	13.3
147.04515	4.1
149.02429	2.6
150.03206	2.7
151.03995	7.9
153.93460	1.2
159.04506	1.5
161.02475	6.6
165.01807	1.3
168.00688	1.4
169.01424	100.0
176.01157	1.5
177.01927	81.0
178.02341	2.3
183.02972	1.5
187.03999	3.3
189.01923	60.0
190.02742	8.5
191.03513	12.4
193.01471	7.8
197.04518	1.3
201.01918	7.5
203.03455	6.0
203.13083	1.3
207.78441	1.0
216.00581	7.2
217.01424	37.0
218.02003	2.0
219.02971	15.0
223.07629	1.1
231.03036	10.7
245.04327	1.3
250.94128	1.3
255.02969	5.0
255.05278	1.1
281.04504	1.2
282.01578	1.4
289.07184	1.4
297.03995	4.2
297.07013	1.3
299.05399	2.3
303.05389	1.1
305.04376	1.2
323.05606	39.4
339.05179	1.9
341.06628	69.6
342.07031	3.5
433.09219	11.4
435.10522	1.2
437.10950	2.3
451.10287	78.3
452.10754	3.4
493.07617	9.7
603.11755	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	604.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.59615	0.4
71.01385	0.5
79.28587	0.4
85.02942	0.4
89.02456	0.4
109.03004	0.5
145.02945	0.7
163.04013	0.5
169.01422	0.5
220.62445	0.4
235.67520	0.4
313.62222	0.5
410.91125	0.5
556.23389	0.4
560.32416	0.4
604.25287	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	605.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20098	2.3
59.01379	6.8
61.98822	16.3
65.73969	2.0
69.16782	10.8
72.67792	2.7
76.24103	2.8
78.95893	2.8
82.95435	2.9
87.00877	2.6
93.52895	2.4
94.90795	2.2
96.95981	2.8
101.02476	2.6
109.02950	18.6
110.03265	4.8
117.03469	2.3
119.05015	3.1
120.43729	2.2
123.00912	4.5
123.04513	5.8
125.02445	37.2
126.02779	7.3
127.84392	2.4
133.02948	7.7
133.11147	2.3
135.04524	2.7
137.02422	3.1
145.02946	5.8
151.04018	5.6
161.02412	3.9
166.99644	2.6
169.01431	59.3
170.01779	22.0
171.01909	10.3
177.01923	32.0
178.02251	15.8
179.02454	6.3
189.01929	17.3
190.02322	14.6
191.02986	3.1
193.01373	8.4
194.01814	3.3
213.01892	3.6
217.01384	10.0
218.01779	9.0
220.03322	3.7
232.03233	2.8
233.82770	2.9
257.00891	10.3
304.05429	3.6
317.04501	2.8
323.05743	7.9
324.05951	6.4
325.06372	12.3
333.04001	4.5
341.06662	12.9
342.07043	20.7
343.07141	17.1
360.02731	3.2
361.03580	20.2
377.02899	26.4
378.03464	5.9
406.03314	59.5
407.03918	28.8
435.09967	4.9
451.10168	9.4
452.10620	12.8
453.11005	23.9
495.08279	6.9
569.09204	100.0
570.09656	9.6
605.11945	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	35.1
70.67191	1.1
71.01378	20.3
73.02936	1.0
83.12539	0.9
83.13027	0.8
85.02947	26.4
87.00842	1.3
89.02444	26.6
95.01388	2.7
101.02444	8.5
113.02440	7.2
117.03513	1.4
119.03492	11.4
123.00882	1.1
125.02486	1.0
129.03482	1.3
129.05573	22.0
131.03485	1.0
132.02139	1.1
134.98682	0.9
138.05606	2.4
143.03537	2.7
145.02931	2.3
147.04521	1.1
157.02896	1.9
159.04530	1.5
161.02440	2.6
161.04549	3.4
163.04039	0.9
165.55862	0.9
172.01689	1.4
173.02464	1.5
175.03983	2.9
179.05592	19.0
182.04553	2.7
185.02422	2.6
189.01941	3.9
190.02663	3.2
191.03497	3.0
200.01080	1.9
201.01883	4.5
202.02612	1.5
203.03450	4.3
213.01901	1.4
216.00627	2.0
217.01382	5.6
218.02098	3.1
219.03018	1.8
228.00604	2.7
229.01421	9.6
230.02097	2.1
231.02948	4.8
242.99355	3.6
244.00064	2.0
245.00877	8.1
246.01485	1.1
247.02402	6.8
248.03131	1.2
249.04010	2.7
257.00955	8.2
258.01636	2.6
270.98877	9.1
273.00436	13.1
274.01181	15.9
275.01947	54.0
276.02213	3.0
277.03488	1.3
283.99582	4.5
285.00369	5.5
291.01410	1.3
298.98312	23.8
299.99091	43.9
300.99872	100.0
302.00165	7.6
309.11890	41.8
310.12109	1.7
333.11642	1.1
399.03644	1.9
403.03116	2.0
419.02280	2.2
421.04092	4.1
425.01480	17.0
426.01590	2.3
435.05811	1.8
451.05243	3.3
461.03537	3.8
479.04669	25.5
480.05392	24.4
481.00781	0.7
481.06146	29.4
482.06525	2.8
545.05878	3.6
605.07843	53.4
606.07941	6.0
623.87744	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	606.313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.43404	0.3
70.43742	0.2
78.95901	0.6
118.82681	0.2
137.92314	0.2
142.31523	0.3
152.99579	0.4
192.05132	0.3
209.11879	0.4
211.13260	0.4
224.47383	0.2
264.79019	0.2
306.50836	0.3
421.11563	0.3
442.31183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15195	1.7
65.09753	1.8
69.21787	10.4
71.01331	1.8
74.10619	1.6
85.02933	2.0
96.52925	1.6
98.21802	2.9
101.02462	1.7
106.96465	2.0
107.01377	3.6
108.02160	5.0
109.02932	10.4
115.10785	1.7
123.00897	10.7
124.01675	7.7
125.02452	22.8
151.00360	10.0
166.47137	1.8
168.00587	3.1
169.01419	38.2
184.44342	1.6
211.02524	2.1
305.74420	1.9
313.05646	11.9
423.09302	100.0
424.09775	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71884	0.8
52.43233	0.9
59.33265	1.0
69.59045	1.4
69.59432	1.8
71.01374	1.8
73.02934	0.9
73.72208	0.8
85.02957	1.2
90.68026	0.8
98.20375	0.9
98.22563	1.8
101.02423	1.0
108.02168	55.7
109.02956	17.8
113.02400	1.0
116.92854	1.4
118.03001	0.8
151.04062	1.0
152.01149	48.3
153.01944	17.6
165.01953	2.2
222.58386	1.0
226.06125	0.8
296.91412	1.0
315.07214	100.0
316.07510	4.7
469.47964	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	609.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40417	0.6
69.30448	1.3
69.30856	2.5
70.43301	0.7
75.09597	0.5
89.51677	0.6
95.14252	0.5
107.01395	1.2
108.02151	1.6
110.58112	0.5
113.57949	0.5
125.74690	0.5
128.90172	1.0
131.69441	0.6
132.52228	0.5
135.00848	0.7
148.01677	2.0
151.00323	3.8
163.00368	1.0
175.03859	0.7
178.99826	3.2
192.00568	0.9
193.01404	0.7
199.03973	0.7
215.03578	1.2
226.02676	1.4
227.03407	2.7
234.01819	1.0
243.02969	11.4
249.03946	0.7
254.02158	1.5
255.02969	26.0
256.03357	1.1
269.50665	0.6
271.02463	60.6
272.02975	3.4
299.01941	2.7
300.02731	100.0
301.03412	7.3
309.06003	0.6
417.17422	0.6
447.09091	1.2
479.08264	1.9
609.14569	75.2
610.15088	4.7
638.20532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32959	0.4
63.02402	0.7
65.00335	0.8
69.36555	1.9
83.01393	0.6
107.01398	2.7
108.02184	1.6
109.02966	1.7
121.02972	1.3
135.00891	0.9
148.01715	1.2
151.00378	11.6
162.27621	0.5
163.00421	2.0
178.99867	5.4
183.04602	0.5
187.03915	0.5
193.01385	0.4
203.03314	0.5
210.30984	0.4
211.04037	1.1
215.03418	0.7
216.04425	0.5
226.02809	2.0
227.03474	2.5
229.04999	0.9
243.02982	7.4
244.03500	0.6
245.04597	1.3
245.08925	0.5
254.02269	2.5
255.02980	20.8
256.03506	0.8
271.02484	46.8
272.03116	2.4
273.04120	1.3
283.02573	1.2
299.01913	0.7
300.02747	86.3
301.03506	36.4
301.07019	0.9
302.03949	1.2
319.55096	0.5
319.58969	0.5
343.04724	0.6
376.05530	0.5
397.22934	0.4
447.09268	4.1
554.88226	0.4
609.14581	100.0
610.14813	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80703	0.3
53.86257	0.3
59.01358	0.4
63.02400	1.5
65.00319	2.6
69.27605	1.5
71.01386	0.5
83.01385	2.1
91.01908	0.8
93.03469	0.9
107.01389	6.9
108.02192	1.6
109.02944	4.9
118.17431	0.4
119.01411	0.5
121.02956	6.2
125.02448	0.7
135.00919	1.5
139.03993	0.6
145.06570	0.3
148.01688	0.9
148.73167	0.3
149.02460	1.2
151.00365	28.6
152.01057	0.5
159.04500	0.7
163.00375	7.1
163.04065	0.4
164.01106	0.9
167.04984	0.5
169.01439	1.2
171.04437	0.4
173.06194	0.6
175.03949	0.3
178.99846	15.5
183.04550	1.0
185.06007	0.5
187.03984	1.2
190.99884	0.6
192.00656	0.7
193.01398	0.8
199.03984	0.9
201.05446	1.8
203.03508	0.7
211.03984	2.9
215.03459	0.6
221.19351	0.3
226.02687	1.1
227.03459	3.0
229.05034	1.8
231.03085	0.4
239.03484	1.4
240.04129	0.4
243.02950	6.2
244.03523	0.4
245.04501	3.6
254.02238	1.5
255.02975	22.1
256.03500	1.1
257.04599	0.7
266.02078	0.5
271.02472	32.3
272.02988	2.1
273.03983	2.9
283.02509	3.6
284.03088	0.4
299.01990	0.6
300.02740	51.9
301.03513	80.2
302.03839	2.8
313.03470	0.4
447.09113	0.6
555.17078	0.3
609.14575	100.0
610.14960	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
62.33155	0.6
63.02391	0.9
65.00317	2.4
71.01383	2.0
71.44434	0.8
73.04842	0.7
83.01389	1.9
87.00864	0.9
89.02448	2.1
101.02462	0.9
102.87621	0.7
107.01385	6.8
108.02173	0.7
109.02940	1.8
119.03512	1.0
121.02946	6.5
123.00955	0.7
124.01672	1.0
125.02426	2.6
148.01622	0.9
148.27788	0.7
151.00366	37.6
163.00380	2.3
168.00591	0.7
168.46509	0.6
169.01440	5.9
178.99860	16.4
179.05643	1.6
183.04510	0.9
187.03989	1.1
193.01398	1.0
199.03993	2.1
209.11829	1.8
210.12175	0.7
211.02477	3.0
211.04193	1.0
215.03506	1.2
225.11308	0.9
227.03590	2.2
229.04971	1.1
243.02924	7.4
244.03377	0.9
245.04620	1.6
254.02272	0.8
255.02988	15.6
257.04773	0.9
271.02374	27.3
272.02856	1.8
273.04041	1.9
283.02426	1.5
299.01987	11.0
300.02737	61.7
301.03516	93.3
302.03894	3.2
447.09302	100.0
448.09546	5.5
462.07776	1.8
463.08795	31.2
464.09100	2.0
497.09204	4.2
609.14606	28.3
609.24811	0.9
610.15027	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	609.146
Annotation	Rutine
Peak:m/z	Relative Intensity
51.07774	0.4
52.72208	0.5
54.97869	0.4
59.01373	1.0
63.02402	0.5
63.85179	0.5
65.00332	0.9
71.01392	0.7
71.65804	0.4
83.01395	0.7
85.02935	0.5
88.98810	1.5
89.02438	0.9
89.38348	0.4
95.01395	0.4
98.22795	0.8
99.00917	0.8
101.02430	0.7
107.01394	2.7
109.02971	1.9
121.02918	2.1
123.00906	0.6
123.48928	0.5
125.02447	1.2
134.06117	0.6
139.52437	0.5
149.02469	1.0
151.00365	11.4
163.00354	1.5
164.01263	0.6
167.27629	0.5
169.01411	1.2
171.04533	1.0
175.00333	1.5
175.03989	0.9
177.02002	0.8
178.73882	0.4
178.99854	2.1
183.04471	0.7
185.06073	0.5
187.03944	0.9
189.01901	0.7
191.03590	0.5
191.05678	0.6
192.00722	0.6
192.06665	0.8
193.01437	0.9
197.02316	0.5
199.03947	2.4
201.01953	0.9
201.05606	0.6
203.03548	0.7
211.04016	1.2
215.03474	2.2
215.40100	0.4
226.02719	0.7
227.03474	3.6
229.04962	0.6
229.31210	0.5
242.02101	0.6
243.02927	5.7
255.02969	3.2
271.02472	55.4
272.02960	1.8
273.04083	0.5
283.02634	1.1
285.03979	1.5
287.02100	0.6
290.76422	0.6
299.01959	94.3
300.02637	16.5
301.03525	73.5
302.03925	2.7
313.03476	1.0
343.04572	2.1
447.09241	14.4
448.09613	0.7
457.07834	1.2
462.01239	1.0
462.08011	25.2
463.08807	29.4
464.09134	1.9
489.10529	0.9
519.19653	1.8
531.86597	0.6
609.14557	100.0
610.14929	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	611.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93745	1.4
59.01362	3.4
69.70444	1.4
69.88158	2.6
69.88493	3.6
71.01369	2.9
79.31803	1.5
80.03958	1.5
85.02943	1.7
88.58451	1.6
88.98806	4.2
95.01395	1.8
97.02946	2.2
101.02480	2.0
107.01391	10.2
108.02213	2.0
109.02939	4.7
123.00893	6.0
124.01662	6.8
125.02448	60.5
126.02729	2.1
139.00417	1.7
139.04060	1.4
151.00375	3.6
161.02362	1.7
168.00623	2.9
169.01416	82.3
170.01773	1.6
191.05550	2.4
201.27536	1.4
211.02434	2.1
273.68781	1.6
313.05640	9.5
423.09348	17.9
438.64539	1.8
465.06458	5.7
575.10419	100.0
576.10754	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	611.096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36039	26.8
59.96430	28.4
69.93896	72.1
69.94225	37.9
74.19039	28.4
93.41761	28.3
96.96001	100.0
98.06818	31.5
98.22524	37.9
239.43500	29.6
339.34937	34.9
406.20444	36.9
545.47070	31.2
565.54150	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11477	0.8
57.03446	2.9
59.01379	58.5
67.61605	0.8
69.14220	5.1
71.01377	11.2
73.02946	1.5
83.01405	1.5
85.02955	2.6
89.02444	10.5
90.71170	0.9
95.01402	1.1
96.96009	1.0
97.06617	1.0
99.04517	10.4
100.02981	0.8
101.02454	7.0
109.06581	1.8
113.02445	5.9
119.03491	4.0
120.99683	0.9
121.06641	0.8
122.24475	0.9
123.00869	0.8
125.02430	1.7
165.12915	4.6
169.01364	1.3
179.05617	1.2
189.12877	2.2
207.13905	15.8
209.11827	34.7
225.14961	5.3
233.11823	1.2
233.49374	0.9
251.12881	9.0
269.13925	100.0
270.14215	3.5
275.12888	1.0
311.14807	4.5
371.17249	1.9
407.23889	0.9
431.19244	31.0
432.19305	1.8
449.20282	94.8
450.20688	4.1
491.21222	2.5
551.23584	1.2
560.46649	0.9
565.29187	0.9
575.10413	4.0
607.56036	1.0
611.25525	14.1
612.25482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	69.7
69.11112	4.4
69.11520	6.6
71.01389	30.0
83.01415	1.7
85.02927	6.6
86.83788	1.6
89.02448	30.9
95.01402	1.9
96.23052	1.7
99.04514	21.1
101.02453	17.7
111.04543	2.7
113.02451	11.7
119.03496	8.3
124.02777	1.7
131.78326	1.7
160.80878	1.5
172.00688	1.8
176.59810	1.8
189.12811	7.5
207.13905	38.6
219.93907	2.4
229.05923	1.8
251.12883	74.3
271.02438	2.3
272.02921	1.9
300.02744	3.8
301.03299	3.2
302.03357	4.2
431.19211	84.8
432.19601	5.1
611.15363	7.2
611.25476	100.0
612.25818	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	611.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90697	0.5
59.01374	2.3
61.60069	0.5
61.98824	3.4
69.03458	0.7
69.07762	3.4
71.01379	9.3
72.88420	0.5
73.02934	2.7
75.00890	0.5
79.64164	0.5
81.03484	0.9
83.01382	1.0
83.05039	1.3
85.02947	3.2
87.00861	0.6
89.02438	1.7
95.01358	1.1
95.05004	0.7
99.00904	0.8
101.02449	5.0
108.01455	0.8
108.02174	12.5
109.02950	19.8
113.02451	4.7
121.10238	0.6
125.02457	1.4
125.09744	0.8
135.08060	0.6
139.11307	0.6
143.03523	0.8
151.04092	0.8
155.10767	1.0
159.03011	1.2
161.04555	12.0
162.05023	0.5
162.06561	0.6
163.11263	1.6
165.12817	0.8
171.10280	3.4
181.08727	2.1
183.10268	18.8
199.13412	1.4
200.57828	0.6
209.11824	30.9
211.13416	3.7
221.11781	2.0
235.08173	1.0
253.09290	1.8
271.08191	3.3
297.24448	1.1
311.22263	1.6
325.24011	0.6
327.25327	8.0
339.25363	6.1
340.25571	0.6
357.26447	100.0
358.26691	2.9
371.28070	0.7
375.21713	3.0
393.22858	0.9
399.27521	1.3
453.28772	0.9
472.74487	0.7
593.29797	2.3
611.30975	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	613.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	1.3
59.01377	27.6
60.01711	1.2
61.01814	1.3
71.01378	20.6
72.99310	4.5
85.02964	1.7
87.00868	1.4
89.02453	6.7
99.04522	4.1
101.02450	2.5
107.01353	1.1
109.02975	1.0
113.02468	1.8
115.00371	47.7
119.03524	1.0
121.02966	1.0
123.00935	1.5
123.03815	1.0
124.01685	3.4
125.02443	7.3
131.07118	2.5
131.76938	1.0
133.01427	100.0
134.01770	1.4
135.96584	0.9
137.02429	1.4
149.02457	1.5
165.01915	3.0
165.12825	1.8
166.02574	1.1
168.00681	1.7
169.01437	7.1
192.00642	22.6
193.01430	33.0
194.02119	2.9
194.51613	1.0
205.01401	1.3
206.02202	1.8
207.03003	7.0
207.13933	3.7
208.14294	2.6
209.11823	8.9
210.12128	5.3
211.02505	4.7
211.12456	1.2
217.00250	1.3
225.15015	2.3
226.15201	1.1
234.01701	3.2
235.02475	3.2
249.03969	2.2
250.27405	1.1
251.13026	1.5
252.13300	1.3
258.03503	1.0
269.13947	19.5
270.14328	18.8
271.04617	2.2
271.14490	6.8
311.14911	1.3
312.04684	3.2
313.05658	2.9
327.07303	1.3
341.06537	1.3
431.19174	3.5
432.19501	5.9
433.19870	6.2
449.20242	5.9
450.20654	22.1
451.10870	1.9
451.20847	15.8
479.08307	60.9
480.08618	3.4
492.82999	1.2
492.90506	1.0
532.65302	1.0
575.10321	3.9
612.26233	2.0
613.25616	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	613.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02498	0.8
53.66975	0.7
59.01377	7.1
69.41724	2.9
71.01012	1.1
71.01379	17.5
72.99305	3.7
85.59165	0.8
87.00870	1.4
89.02411	3.7
95.70055	0.7
101.02444	0.8
103.46346	0.7
115.00372	43.4
123.00876	1.5
124.01633	1.4
125.02423	4.7
132.86757	1.1
133.01430	100.0
137.02467	1.2
149.02409	1.5
151.04001	1.3
158.74597	0.7
158.89771	0.8
164.01227	1.6
165.01915	1.8
166.02769	1.0
168.00676	2.4
169.01463	4.1
179.03375	0.9
189.01921	1.0
190.02643	1.3
191.03391	0.7
192.00641	19.1
193.01407	29.4
194.02231	1.9
201.49277	0.7
205.01396	1.0
207.02943	6.4
207.13933	1.0
209.11914	1.8
210.12202	0.9
211.02490	4.9
217.17519	0.8
220.77293	0.7
222.01689	0.9
234.01689	2.6
235.02477	3.4
237.03984	0.7
249.03955	1.4
269.13882	3.0
270.14249	4.3
271.04617	2.4
312.04898	2.0
313.05484	2.0
315.81320	0.9
327.07272	1.7
341.06308	0.9
432.19534	1.3
449.20172	2.2
450.20663	4.6
451.10175	0.9
451.20987	2.8
479.08304	60.2
480.08496	2.0
612.25458	1.0
613.25574	1.3
620.41034	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	613.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85510	0.2
59.52115	0.2
61.98808	0.6
63.02405	1.8
65.00323	3.9
68.81593	0.3
70.77576	0.3
71.01363	0.4
83.01391	2.7
91.01897	0.4
93.03464	1.3
94.31941	0.2
95.01398	0.3
106.52131	0.2
107.01390	8.6
108.02197	0.5
109.02956	3.9
119.01416	0.8
121.02956	8.0
124.01636	0.4
125.02448	0.4
135.00867	0.7
139.03995	1.0
145.06715	0.3
147.04498	0.3
148.01692	0.4
149.02428	1.0
151.00366	32.0
152.00781	0.4
152.57855	0.2
157.06575	0.2
157.12564	0.2
159.04521	0.8
161.06107	0.3
163.00369	4.6
163.03990	0.5
164.01128	0.8
165.01938	0.2
167.05003	0.5
169.01428	1.1
171.04500	0.4
173.06078	0.2
175.02483	0.2
175.03944	0.3
178.99858	15.6
180.00220	0.2
183.03069	0.4
183.04549	0.8
183.75896	0.2
185.06096	0.4
187.03960	0.9
189.05537	0.4
190.99843	0.6
192.00688	0.3
193.01428	0.7
195.04771	0.2
199.03946	0.4
201.05574	1.2
202.02774	0.2
203.03467	0.7
211.03970	1.7
212.04510	0.2
213.01988	0.2
215.03525	0.4
217.05028	0.2
227.03529	2.1
228.04172	0.5
229.05055	2.0
231.03122	0.3
239.03506	0.8
240.04225	0.5
243.02983	1.3
243.55492	0.2
245.04524	3.4
255.02963	5.8
256.03680	0.7
257.04550	0.7
266.02222	0.5
270.99576	0.3
271.02478	4.5
272.03070	0.7
273.04044	2.5
283.02438	2.6
284.02994	0.3
299.01862	1.2
300.02747	4.7
301.03519	100.0
302.03922	2.6
315.05182	1.3
429.07535	0.3
447.08740	0.7
613.11981	15.8
614.12573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01372	0.9
59.39258	0.2
61.98827	1.3
63.55709	0.2
69.03432	0.2
69.65211	0.3
70.66247	0.4
70.66563	0.3
71.01378	6.0
71.56236	0.3
73.02934	1.4
81.03461	0.3
82.95416	0.8
83.01378	0.5
85.02943	2.3
89.02424	0.4
95.01388	0.6
99.00860	0.5
101.02431	2.5
102.77876	0.3
108.02171	13.4
109.02956	19.0
113.02432	2.7
119.84158	0.3
123.00878	0.6
125.02460	0.5
125.87267	0.3
143.03497	0.6
159.02966	0.4
161.04555	9.9
161.08237	0.4
183.10176	0.7
185.11815	1.9
209.11803	2.6
211.13361	0.9
271.08215	3.4
284.97388	0.3
298.16464	0.3
311.22470	0.6
311.25873	0.8
313.23859	5.2
341.26947	3.1
357.26364	0.6
359.28009	100.0
360.28360	5.4
373.29623	0.6
401.28967	1.0
425.29199	0.5
455.30197	0.8
503.32388	0.6
613.36536	1.7
614.37817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39081	0.2
54.03890	0.1
59.01378	0.2
61.98829	100.0
65.00288	0.2
69.31396	0.7
71.36330	0.2
78.91908	0.4
84.14233	0.2
93.95046	0.2
109.02978	0.2
126.69373	0.2
145.65807	0.2
151.00372	0.6
152.00705	0.2
178.99918	0.3
271.02444	0.2
272.02750	0.3
300.02853	0.3
301.03381	1.4
302.03854	1.1
313.56470	0.2
313.96988	0.2
363.87912	0.2
383.92288	0.2
536.06085	0.2
540.70392	0.2
580.71606	0.2
614.12164	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	615.0987
Annotation	Myricetin 3-(3''-galloylrhamnoside)
Peak:m/z	Relative Intensity
59.01373	0.9
61.98811	0.7
67.05108	0.5
71.01384	0.9
71.36156	0.5
79.22466	0.6
81.03468	1.0
87.62000	0.5
93.03423	0.6
93.80333	0.4
95.01373	0.7
97.02932	0.6
105.03516	0.5
107.01384	1.7
107.05023	0.6
108.02162	2.0
109.02950	32.7
111.00890	1.4
114.01823	0.5
116.92898	2.3
117.03423	1.1
119.04993	0.7
121.02950	1.2
123.00874	3.1
124.01669	7.9
125.02443	13.9
127.00416	0.6
133.02943	1.7
135.04504	1.8
136.98784	0.7
137.02403	2.5
139.00311	0.9
139.04044	2.3
140.01146	1.2
145.02959	2.4
147.04552	0.7
148.01613	0.8
149.02412	1.7
151.00447	0.8
151.03984	0.9
152.01221	0.7
153.01935	21.6
159.04539	0.7
160.01709	0.5
161.02454	6.9
162.03217	4.6
163.04019	2.4
164.01137	1.9
165.01939	5.0
166.99783	0.8
167.03482	1.2
168.00636	6.3
169.01416	8.8
173.02386	1.5
174.03098	0.7
177.01878	3.1
178.02625	0.9
179.03477	0.7
181.07707	0.5
183.02989	2.2
187.04028	0.7
189.01920	2.0
190.02705	7.3
191.03511	3.7
192.00647	10.9
193.01402	13.0
194.02063	1.2
195.02977	1.7
203.03403	0.7
205.01407	4.6
205.05150	0.6
206.02190	5.8
207.02980	20.4
210.01530	0.6
211.02458	11.3
219.02934	1.4
220.03625	1.4
221.00829	0.6
221.04500	0.7
222.01694	0.6
223.02513	0.6
225.03995	0.9
231.02971	0.6
232.03609	0.6
233.00810	1.4
234.01672	15.4
235.02458	18.8
246.01637	1.3
247.02516	1.1
249.04022	5.4
259.02335	1.0
264.02704	0.6
273.03943	0.6
276.02643	1.1
277.03412	1.6
279.05136	0.8
294.03796	1.7
295.04526	1.4
309.06104	1.6
312.05060	0.8
343.21072	0.6
358.34592	0.5
361.22275	1.3
373.62485	0.6
449.07062	1.7
461.07175	2.4
463.08707	2.0
479.07974	1.3
615.09882	100.0
615.30481	2.0
616.10248	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
64.71326	0.4
66.44515	0.5
67.09411	0.4
69.59965	1.9
71.01379	2.3
73.02949	0.7
74.07095	0.5
79.01894	0.8
85.02954	3.1
87.00902	0.7
87.71165	0.4
90.44812	0.4
90.69731	0.4
93.03465	0.8
95.01392	1.0
97.02921	0.6
98.21930	0.7
101.02430	1.7
107.01398	2.1
108.02189	3.3
109.02960	8.8
111.00858	0.8
113.02431	1.8
114.91479	0.5
123.00875	8.3
124.01646	7.1
125.02447	16.4
136.98761	0.7
139.00385	1.3
140.01082	0.8
141.01923	1.6
151.00375	5.9
156.60205	0.4
161.04570	0.5
161.18663	0.4
167.03557	0.5
168.00647	2.7
169.01421	24.9
191.05600	10.0
211.02469	1.0
253.03433	0.8
313.05621	9.6
322.41055	0.5
423.09305	100.0
424.09708	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	615.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67123	0.9
59.01371	3.2
66.74541	0.9
69.67433	2.3
71.01387	2.6
73.02933	1.1
81.01794	0.9
81.83685	0.8
85.02958	3.5
87.00889	1.6
88.60976	0.9
93.03461	0.9
95.01396	1.4
101.02454	1.3
101.26834	0.8
107.01411	2.3
108.02181	3.2
109.02956	9.0
111.00863	1.3
113.02438	2.8
123.00883	9.7
124.01655	5.8
125.02443	19.7
139.00435	2.4
140.01152	1.6
141.01936	1.2
151.00372	7.1
168.00670	3.3
169.01416	31.4
173.81644	0.8
191.05614	12.3
211.02512	1.0
217.00301	1.8
236.56020	0.9
257.53851	0.9
267.54263	0.8
276.79355	0.9
300.99838	1.6
308.52206	0.9
313.05627	8.6
344.02213	0.8
423.09317	100.0
424.09607	4.8
536.09448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.5
61.98822	2.3
69.29741	7.1
71.01388	5.1
71.99904	1.1
73.02927	3.5
79.04578	1.2
83.09904	1.2
85.02948	4.9
87.04522	9.8
97.02954	2.0
98.21928	1.9
99.04514	1.2
101.02428	6.4
108.02177	13.1
109.02951	36.3
112.42057	1.3
113.02467	1.8
134.03757	3.0
135.08125	2.3
137.09750	7.9
139.07637	1.3
155.10779	37.5
169.01414	1.7
169.12350	2.9
179.10724	2.1
181.08728	5.0
191.10779	2.4
193.05003	3.4
193.12303	1.7
195.10258	1.9
199.09763	12.7
213.11316	4.7
241.10840	7.7
255.12387	2.1
260.24524	1.3
283.11920	6.0
314.13483	1.2
375.75189	1.3
435.16617	8.2
453.17633	100.0
454.17728	3.9
495.18784	3.6
532.71411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39748	1.7
52.11061	1.9
59.01377	100.0
68.60149	2.0
69.53277	5.8
69.53691	3.7
71.01392	2.0
101.02434	2.5
103.01491	77.0
109.06590	2.4
125.56020	1.8
169.12335	11.1
171.10263	14.4
183.10321	3.0
185.11769	16.4
195.28716	1.8
207.10278	10.0
211.13382	22.4
225.11313	4.9
253.09105	2.3
292.74258	2.1
297.90094	2.1
615.30273	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	617.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.43599	0.6
61.98828	0.9
69.09700	4.6
78.56119	0.6
98.22667	1.6
104.88271	0.7
115.02525	5.5
117.00439	5.3
128.64998	0.7
132.98177	5.4
141.00470	0.8
156.99927	0.9
159.01491	56.0
160.01736	2.5
162.06944	0.7
174.99248	39.7
192.95877	1.5
201.02582	10.1
202.02740	0.8
217.00294	80.2
218.00803	1.6
232.98369	1.5
259.01657	1.1
274.99387	5.3
290.97131	4.0
301.02652	25.0
302.02988	2.3
317.00385	53.9
318.00711	2.4
332.91983	1.0
332.98141	19.0
333.98752	0.9
348.96286	1.1
359.01465	5.9
374.99240	35.3
390.97391	1.2
417.00754	0.9
432.98801	1.0
459.01407	5.7
460.01932	0.9
474.99323	29.8
475.99777	1.8
490.97202	1.0
495.23932	0.7
514.97552	1.6
555.00476	1.4
556.98383	36.6
557.98645	3.8
604.85864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85518	0.4
53.96843	0.5
55.22240	0.4
61.98838	0.7
62.42775	0.5
67.01884	0.5
67.61520	0.4
69.25143	0.9
69.25542	1.9
70.72884	0.4
89.03993	1.5
91.01885	0.8
95.05032	1.4
105.03507	0.5
107.01382	0.7
108.02193	1.2
109.02953	29.0
110.03288	0.5
117.03432	1.1
121.02937	1.0
123.04524	11.0
124.01659	5.9
125.02480	2.4
133.02969	10.0
135.04507	1.7
137.02464	0.6
139.04018	1.7
145.01842	0.9
145.02956	15.7
147.04523	2.8
149.02483	1.1
150.03241	0.8
151.04019	6.1
159.04550	2.2
160.01698	0.5
161.02472	6.4
163.03976	0.8
168.00658	6.5
169.01381	2.1
171.10254	0.8
175.03969	0.6
176.01184	1.6
177.01933	100.0
178.02290	1.6
183.03003	13.6
187.03984	3.8
188.04800	0.6
189.01935	51.6
190.02692	9.8
190.80086	0.5
191.01883	0.9
191.03516	11.5
192.00659	0.5
201.01944	4.7
203.03539	5.5
209.11755	0.6
216.00592	8.1
217.01414	47.6
218.02083	2.5
219.02989	13.9
220.03375	0.5
227.03590	0.8
231.02979	12.6
232.03716	1.2
233.04382	0.9
235.07520	0.8
243.03024	0.5
251.07147	1.1
253.05055	0.9
255.02959	7.3
257.04480	0.6
264.04233	0.9
277.04880	0.6
279.06561	1.0
281.04489	1.7
282.01743	1.0
285.03934	0.8
287.05676	2.8
289.07208	2.4
297.04016	5.0
297.07712	1.4
299.05588	2.1
305.04541	2.0
308.03244	1.3
311.05603	0.6
323.05597	68.4
324.06027	3.8
327.05008	4.8
341.06641	82.7
342.06964	3.9
353.06552	0.6
357.05753	1.1
391.08182	0.6
433.09265	26.3
434.09564	1.2
447.57077	0.5
451.10312	86.3
452.10638	6.7
465.12372	1.1
467.09848	8.5
468.10104	0.6
477.08643	0.7
501.05096	0.5
507.09259	1.5
617.13080	18.6
618.13519	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	617.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.81513	0.8
61.98823	0.8
69.03442	0.8
69.19740	3.8
81.03442	1.6
82.95411	2.1
85.02957	0.8
89.02448	0.9
89.03967	1.4
91.01788	0.9
93.03470	1.5
93.94530	0.8
95.05046	1.4
96.96037	1.2
97.02921	1.3
106.06618	2.3
107.01379	2.0
108.02171	6.0
108.48400	0.8
109.02943	29.4
120.08198	1.1
121.02937	1.6
123.00900	1.7
123.04519	14.7
124.01654	5.0
124.07668	1.0
125.02443	28.1
133.02951	8.0
134.03712	1.3
135.04520	3.6
137.02441	2.5
139.04031	1.6
145.02950	12.9
147.04410	1.2
148.01669	0.9
149.02435	1.2
150.03195	1.1
150.05563	1.1
151.04013	8.2
152.07185	1.6
156.25198	0.8
159.04530	2.5
160.01642	2.1
161.02440	8.1
162.03204	2.7
163.04033	2.0
166.99834	2.3
168.00658	5.7
169.01419	51.2
171.10265	14.5
173.02408	1.3
175.03981	2.7
176.01158	2.7
177.01923	98.6
178.02234	2.2
178.05078	1.1
183.02995	8.8
183.04469	1.6
187.04022	5.6
188.04765	1.1
189.01930	45.0
190.02687	12.1
191.03508	6.9
193.01419	2.7
201.01900	4.0
203.03514	3.3
207.02988	1.0
209.06190	1.2
209.11835	17.0
216.00591	7.8
217.01398	38.7
218.01883	2.4
219.02962	12.9
225.05556	0.8
227.03342	1.0
227.07162	1.5
227.12811	1.3
229.08652	2.3
231.02950	10.1
232.03586	1.6
235.07796	1.7
237.05598	1.1
241.05034	1.3
251.07191	1.4
253.05128	2.3
253.09183	0.9
255.03041	2.2
257.13025	1.2
259.06039	1.6
262.88501	0.9
264.04123	0.9
265.05048	1.5
267.06476	1.0
269.04541	1.3
271.06055	3.3
279.06601	2.6
281.04501	6.7
282.01761	1.9
282.05045	1.1
285.04001	2.0
287.05594	6.1
289.07132	4.3
295.06207	1.4
297.04004	20.6
297.07617	7.4
299.05521	4.6
301.07150	3.6
301.11960	1.6
303.13455	2.7
305.04535	1.4
308.03159	1.5
313.07169	3.1
317.06622	1.7
322.04852	1.2
323.05582	39.6
324.05829	2.3
327.05170	1.7
337.07135	3.5
341.06638	100.0
342.06949	5.3
355.08191	3.7
389.10153	1.6
391.08405	1.3
433.09225	23.2
434.09796	1.6
447.10803	7.3
451.10294	39.0
452.10547	2.0
465.11874	53.0
466.12149	3.7
466.19275	1.7
467.09750	2.5
507.09085	4.1
617.12860	18.7
617.25977	8.0
618.13702	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	617.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18026	0.5
59.01383	4.0
61.98815	1.7
65.00332	0.8
67.90739	0.5
71.01382	0.8
71.44845	0.4
73.02930	0.6
81.03452	0.6
82.95412	1.1
88.98778	0.5
89.03959	2.7
95.05014	1.1
97.02932	0.5
103.01469	1.3
105.03465	0.7
105.72612	0.6
108.02184	1.1
109.02952	32.5
110.03323	0.8
112.40721	0.4
116.92818	0.6
117.03459	1.6
118.87890	0.5
119.05013	1.4
123.00900	0.6
123.04524	11.9
124.01658	4.9
125.02430	2.6
130.19958	0.4
133.02950	10.6
135.04520	2.0
137.02423	0.7
139.03989	1.7
145.02954	16.4
147.04520	2.9
150.03232	0.9
151.03978	7.4
159.04514	2.1
161.02429	6.6
161.06053	0.8
162.03128	0.9
163.04019	1.0
168.00627	4.5
169.01401	1.8
171.10323	0.9
173.02391	0.8
175.04013	0.6
176.01126	1.9
177.01923	100.0
178.02275	2.4
183.02971	8.1
183.04506	0.7
185.02473	0.5
187.04004	3.1
188.01242	0.5
188.04774	0.6
189.01932	54.8
190.02686	10.8
191.03505	10.3
192.00618	0.8
201.01904	4.8
203.03497	6.1
209.11937	0.7
216.00626	7.0
217.01414	47.2
218.02029	3.4
219.02971	12.9
220.03476	0.6
225.05475	0.5
227.03558	0.6
231.02983	11.6
232.03654	0.9
233.04465	1.0
250.06097	0.6
253.04939	0.5
255.02988	8.1
267.06625	0.5
269.04590	0.5
271.06134	0.6
277.05127	0.9
279.06598	1.4
281.04553	2.0
282.01675	1.5
285.04105	1.4
287.05652	2.2
289.07217	3.0
297.04144	4.2
297.07437	0.9
299.05637	0.6
305.04599	1.8
308.03275	1.1
311.05646	1.0
323.05588	56.4
324.06067	2.8
327.05115	4.1
333.92719	0.6
341.06647	76.1
342.06979	3.4
357.06171	1.5
363.20151	0.7
384.01596	0.5
391.08136	0.9
433.03357	0.9
433.09250	12.2
451.10306	74.2
452.10672	5.6
467.09750	8.2
468.10052	0.7
477.08377	0.7
507.09521	0.8
617.13208	5.2
617.27759	1.7
642.32184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.1
61.98831	0.8
63.05072	0.4
71.01374	3.2
73.02943	0.7
80.02663	0.7
81.03449	1.3
83.01377	0.6
83.05026	3.2
85.02956	1.4
89.02444	2.9
95.01330	0.4
95.05019	0.5
100.68915	0.4
101.02456	2.4
113.02466	1.1
125.09695	1.0
127.11294	1.6
143.03444	0.5
145.05054	0.8
149.04597	0.8
153.09206	0.6
155.83350	0.6
161.04556	1.1
163.11307	2.9
165.12866	1.2
171.10263	100.0
172.10606	2.6
179.05589	0.6
191.10735	0.8
209.11819	89.1
210.12192	3.4
227.12880	12.9
235.08305	3.3
253.09276	8.4
285.95224	0.5
407.19223	2.0
445.20663	1.5
448.12766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54441	1.3
55.77747	1.2
59.01374	9.0
71.01357	5.8
71.44215	1.2
71.44604	1.4
76.21526	1.3
84.62704	1.3
85.02931	8.6
89.02454	6.2
101.02403	1.9
105.15248	1.4
108.02133	1.7
113.02425	2.8
119.03501	2.4
119.05013	2.7
125.02415	3.3
129.05568	4.9
138.03212	2.4
161.02399	4.1
162.03220	4.0
163.03899	1.8
164.01158	4.2
166.02736	3.9
168.05482	1.2
177.01817	1.4
178.02663	2.1
179.05540	5.1
190.02737	6.4
191.05602	3.4
192.00641	62.3
193.01425	24.3
194.02191	18.7
205.01427	5.2
206.02165	5.9
207.02985	33.0
210.28055	1.6
221.00945	4.9
222.01659	8.0
226.19971	1.5
234.01700	23.5
237.03963	5.2
249.04041	11.6
300.99771	3.1
309.11914	11.7
312.04874	19.2
327.07181	100.0
328.07495	2.4
559.00916	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	619.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52856	1.2
66.94290	1.2
69.65896	4.6
71.51952	1.3
72.39058	1.3
72.90022	1.3
83.34522	1.6
92.18010	1.3
98.22567	1.9
113.52857	1.5
119.05033	3.4
125.02424	4.2
128.44917	1.4
136.01677	1.8
161.02446	3.9
162.03220	3.2
163.04005	4.7
164.01222	4.2
166.02727	5.3
177.02063	1.7
190.02745	7.1
192.00647	63.4
193.01414	24.8
194.02248	17.9
205.01422	5.7
206.02206	6.1
207.01167	2.5
207.03011	29.3
209.04565	1.3
211.41832	1.7
221.00981	2.1
222.01721	6.7
233.00833	1.5
234.01694	22.6
237.04018	5.8
249.03986	12.0
312.04858	14.9
327.07208	100.0
328.07587	2.4
354.89166	1.5
559.00995	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	619.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01533	1.0
59.01376	16.4
61.61667	0.9
62.63083	0.9
69.35011	4.7
71.01373	9.9
85.02964	3.0
89.02440	9.1
95.88966	1.0
96.96021	6.6
101.02453	3.1
109.02990	2.0
111.00882	1.3
113.02446	2.8
114.48709	0.9
117.03408	1.1
119.03529	1.3
120.89331	1.0
123.00859	1.3
124.01682	1.2
125.02473	6.5
135.04492	1.0
136.01712	1.3
137.96310	1.0
147.04597	1.1
151.03970	1.2
153.01923	2.0
161.02431	3.9
162.03235	4.1
164.01157	4.1
166.02762	5.0
168.00557	1.1
169.01411	6.4
177.01913	2.3
178.02632	2.3
178.99763	2.0
183.02843	1.1
189.01950	2.1
190.02724	8.0
191.03340	1.2
191.05655	1.9
192.00632	83.0
193.01407	25.3
194.02191	19.4
205.01331	6.5
205.05087	1.1
206.02176	6.4
206.08212	1.0
207.02979	48.8
208.03331	1.3
209.04529	1.9
211.02496	1.3
220.03702	1.2
221.00899	2.8
222.01698	8.4
232.03590	1.4
233.99338	1.8
234.01698	35.9
235.02222	1.8
237.03947	6.4
249.04057	22.3
250.04512	1.2
279.90536	1.1
294.03900	2.8
300.99844	2.6
309.06058	9.4
312.04813	24.0
327.07184	100.0
328.07446	2.9
395.09790	24.7
421.11423	4.4
424.10059	1.5
439.12421	76.4
440.12598	4.8
449.07050	3.5
454.14359	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	619.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69108	1.2
59.01379	87.1
67.05527	2.7
69.39476	5.5
71.01382	46.5
72.99287	1.3
75.57285	1.3
83.01369	1.3
85.02951	66.6
85.87237	1.0
87.00887	3.0
89.02443	63.1
94.46999	1.2
95.01373	1.7
98.22647	2.3
101.02438	21.9
102.76194	1.4
111.04532	1.6
113.02436	21.0
119.03503	27.8
129.05582	54.3
129.06544	2.9
131.03532	1.5
143.02519	1.3
143.03499	7.0
149.04564	1.7
161.04613	8.6
179.05617	51.7
199.25426	1.3
199.36371	1.2
201.29085	1.3
218.79199	1.2
230.15309	1.4
268.65366	1.4
309.11905	100.0
310.12219	3.8
385.46130	1.7
447.34433	1.6
589.83191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
62.32086	2.1
64.75719	2.1
65.12385	2.4
67.05530	4.8
70.06974	5.1
71.01379	46.7
83.01391	2.3
85.02950	67.0
89.02444	68.2
95.01369	3.0
101.02434	21.6
101.83485	2.1
113.02451	19.8
119.03512	22.5
129.05582	38.9
143.03496	3.9
143.56947	3.3
161.04549	6.3
179.05608	36.0
203.05577	2.0
213.59224	2.1
226.04817	2.1
251.30446	2.2
266.49860	2.0
309.11887	50.1
310.12122	2.9
404.76132	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	619.2557
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.09192	1.3
60.80021	1.3
82.35799	1.2
84.63465	1.3
89.48505	1.3
123.86798	1.1
128.10550	1.3
166.91014	1.2
213.83218	1.3
213.88004	1.3
415.15518	4.3
416.16415	17.1
430.18439	1.9
431.18546	1.9
458.17624	1.6
459.18246	100.0
460.18393	8.1
473.19836	16.1
474.20547	7.2
500.18604	1.7
503.17068	3.8
518.19501	44.2
519.19458	2.7
532.20905	8.3
533.21906	86.8
534.22339	6.0
587.23297	5.8
619.25555	76.7
620.26001	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	621.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07647	0.7
50.23367	0.7
57.03445	3.0
67.64886	0.9
69.13757	4.6
81.03447	2.2
83.01397	3.1
95.01421	0.9
95.05042	1.2
96.95955	0.9
97.02962	3.3
98.21938	1.7
107.05032	3.1
109.02961	17.4
121.02959	1.7
123.00928	1.2
123.04529	7.4
124.01698	0.9
125.02448	45.5
133.02927	1.0
134.03738	1.2
135.04526	26.7
137.02451	16.1
139.03972	2.1
145.02965	8.4
146.03836	1.9
147.04553	1.0
149.02417	3.7
151.04013	17.8
159.04515	4.9
160.05240	0.9
161.02460	1.3
161.06100	4.9
163.04021	4.8
164.01212	1.5
165.01955	3.4
169.01425	27.7
170.01807	0.8
175.04027	1.9
175.07620	1.0
177.05522	2.1
179.03490	4.9
183.04521	1.5
185.06114	2.4
187.03957	4.9
188.04747	2.1
191.03510	1.4
193.01413	2.9
201.05553	0.9
202.06342	1.1
203.07114	8.7
205.01595	1.0
205.05087	7.8
209.06049	1.4
211.03978	1.0
221.08188	1.5
227.07141	3.7
229.08707	1.7
231.02989	1.2
245.08138	12.2
253.04999	2.7
256.03696	0.9
259.06082	2.2
271.06155	19.3
271.09204	1.3
279.06635	1.7
289.07178	100.0
290.07678	4.4
297.07663	9.2
303.05038	2.7
315.08743	20.2
316.09070	1.2
317.06540	4.3
341.06781	1.9
441.08264	25.3
442.08490	1.0
451.10376	5.2
467.09760	3.2
469.11478	10.8
470.12195	1.0
621.12518	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	621.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34648	0.6
59.01377	25.5
69.85687	1.4
71.01379	8.9
73.02947	1.1
79.31773	0.8
85.02975	1.8
85.06588	8.6
88.06325	0.7
89.02440	11.4
95.01347	0.9
101.02431	7.7
113.02480	4.1
113.06087	1.3
115.07683	0.8
119.03510	4.6
123.00921	1.0
127.07647	1.6
131.07135	37.6
143.02023	0.7
173.08159	1.1
179.05659	1.6
191.05638	1.2
192.00609	1.0
197.30771	0.7
220.14311	0.7
227.15791	0.7
293.12418	100.0
294.12772	3.2
300.99792	1.6
309.51871	0.8
359.54123	0.8
580.83398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64994	0.6
74.95609	0.5
96.62201	0.5
98.22493	0.5
209.65813	0.6
356.46185	0.5
431.15054	1.1
445.16776	1.4
446.17197	2.3
459.22198	3.6
460.18973	8.9
461.19778	24.2
462.20282	1.4
474.20303	1.2
475.21484	4.2
509.91891	0.5
519.20367	11.8
520.21057	1.4
533.22296	1.0
534.22473	0.7
606.24854	0.6
616.77136	0.6
621.27130	100.0
622.27301	5.7
626.55316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24500	0.6
69.83398	2.4
101.74583	0.8
160.53839	0.6
339.21298	0.7
445.16629	2.2
446.17322	3.8
459.22382	3.6
460.19025	14.1
461.19836	30.8
462.14325	0.7
462.20102	2.6
474.20789	1.7
475.21432	4.7
519.20325	18.1
520.20758	2.1
533.21692	2.1
621.27136	100.0
622.27454	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	621.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01371	5.7
61.92714	0.6
61.98808	2.5
67.05536	1.1
69.48077	0.9
69.48464	1.6
71.01376	5.7
71.05016	0.7
73.02931	0.8
82.95393	0.8
83.05021	2.3
85.02949	22.3
89.02465	1.5
99.04520	0.8
99.08147	2.7
101.02450	3.8
101.06084	2.7
109.02947	1.0
113.02428	1.2
119.03519	0.8
121.47953	0.6
123.08155	1.1
125.02361	0.9
125.09734	0.8
129.05591	11.6
153.09286	0.8
155.10693	0.7
167.14455	1.0
171.10246	1.8
183.13901	1.8
189.12975	0.8
191.14403	8.1
193.12314	1.4
209.15393	1.6
211.13380	11.2
211.54207	0.6
213.15126	0.6
229.14497	7.3
235.13382	6.6
243.16066	2.0
244.47093	0.6
253.14503	3.2
293.21136	1.2
311.22281	7.3
314.86401	0.6
329.23306	100.0
330.23636	3.9
331.24829	1.4
343.25046	1.1
353.23288	18.8
365.23239	2.2
371.24377	7.8
383.24164	0.8
413.25519	1.0
431.26477	2.4
469.83945	0.7
551.68640	0.8
585.33075	0.8
606.79016	0.7
621.34760	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	623.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.98803	0.4
70.00716	1.5
71.01372	1.4
85.02948	11.2
87.00869	1.6
93.03455	3.5
98.22587	0.7
99.04478	0.8
109.02983	0.8
111.04494	1.4
127.04001	2.3
127.10295	0.5
173.04497	0.9
191.05602	100.0
192.05963	1.8
221.00945	0.5
227.03523	1.4
227.20930	0.5
255.02991	1.9
284.03278	2.4
285.03989	2.4
305.36963	0.6
353.40137	0.6
431.09799	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	623.1615
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
50.40752	1.0
52.95832	1.1
56.53894	1.0
57.00787	0.9
57.03436	1.1
57.32196	1.1
59.01378	35.3
67.27350	1.1
71.01385	18.8
73.02939	4.0
83.01377	3.7
85.02940	6.9
87.00877	1.5
89.02432	11.3
95.01383	2.6
96.96008	1.3
99.04508	2.2
99.10931	1.1
101.02439	13.1
107.01401	2.2
108.02191	1.9
111.00876	1.2
113.02441	8.5
115.59843	1.2
119.03505	3.9
121.02963	2.0
125.02423	3.1
128.90169	2.1
151.00349	5.2
161.04547	1.3
169.01418	1.6
170.11368	1.1
199.03961	3.3
207.10275	2.2
215.03546	1.3
225.11346	1.6
227.03477	4.1
230.74370	1.2
242.02240	3.9
243.02957	25.1
244.03680	2.5
255.02956	18.1
257.04550	3.6
259.06122	1.3
270.01678	3.2
271.02444	45.3
272.03171	5.9
281.17758	1.9
285.03909	5.3
286.04810	1.2
287.05731	1.7
299.01944	42.1
300.02719	41.0
300.99866	1.5
301.03079	2.3
309.04230	1.9
313.03455	1.1
314.04294	37.8
315.05087	100.0
316.05338	4.1
357.06229	1.2
443.22809	57.5
623.16077	95.7
623.28925	37.7
624.16437	7.5
625.25470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60647	0.9
55.01873	1.4
58.00588	0.9
59.01377	53.2
61.98822	1.4
69.12661	2.6
69.13069	2.1
71.01378	29.7
72.99294	0.8
73.02943	9.7
83.01397	3.9
85.02953	10.8
87.00872	2.1
88.98805	1.0
89.02448	21.3
95.01381	2.7
97.02986	0.9
99.00893	1.6
99.04497	3.9
101.02432	17.9
113.02448	12.7
115.83120	0.7
119.03498	5.1
121.02930	1.6
125.02419	1.4
128.90173	2.9
131.03403	1.1
143.03468	0.9
151.00356	1.0
161.04506	2.7
169.01395	1.8
199.03979	1.2
203.45618	0.8
207.13884	1.0
223.16501	0.8
227.03459	1.3
243.02939	5.7
255.02910	3.1
271.02435	9.5
272.02859	1.4
281.17526	2.2
299.01965	8.7
300.02725	10.3
314.04327	9.4
315.05106	25.8
316.05295	1.2
421.63809	0.9
443.22842	100.0
444.23169	6.1
458.12164	1.0
623.16193	20.4
623.29108	68.0
624.16193	2.4
624.29260	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	625.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
59.01377	4.2
60.99305	4.3
62.49937	0.7
63.85021	0.8
65.54660	0.8
67.01882	9.6
67.80625	0.9
69.03442	1.8
69.43556	2.3
71.01382	5.9
81.03437	2.6
83.05019	2.6
85.02930	2.2
87.00874	16.4
93.03454	73.2
93.36996	0.9
95.01383	0.9
99.00891	1.0
101.02422	1.1
107.05017	1.4
108.02171	6.9
109.02971	4.0
111.04526	12.4
121.02953	1.3
123.00883	1.3
123.04499	4.5
125.02426	1.5
129.01904	1.7
134.03740	4.1
135.04527	62.7
136.04872	0.9
137.02415	0.8
139.18391	0.7
146.06039	1.6
148.07622	0.8
155.03497	4.2
159.41745	0.8
169.01392	1.8
173.04541	25.7
179.03493	25.8
183.40306	0.8
191.05589	15.4
201.01884	1.5
203.03525	1.0
204.06584	1.2
213.50407	0.9
221.13075	0.8
231.03110	0.9
241.07347	3.7
252.51935	0.8
259.21228	0.8
271.02472	8.4
271.14487	1.3
289.07220	4.1
299.01947	14.5
299.99063	2.6
300.02341	1.0
300.99850	2.3
316.02121	1.5
329.14856	1.9
373.14066	8.2
427.14911	2.2
445.16071	1.2
451.12314	3.3
463.12500	1.2
581.20728	3.6
625.17554	100.0
626.17993	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	625.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44896	0.7
57.03424	1.1
59.01360	3.1
60.99282	3.0
65.03958	0.8
67.01886	9.7
69.03453	2.0
69.28729	3.6
71.01379	4.0
72.57411	0.7
73.02917	0.8
78.19695	0.7
81.03431	2.7
83.05023	1.7
84.19633	0.6
85.02935	2.7
87.00872	15.1
91.05541	1.0
93.03458	71.5
99.00866	1.5
107.05064	1.4
108.02186	6.7
109.02928	5.9
111.04527	10.2
115.04028	1.2
123.04539	5.4
125.02427	1.2
129.01918	1.7
134.03720	3.5
135.04524	68.9
137.02446	1.3
155.03482	4.4
169.01375	1.0
173.04547	31.7
179.03494	25.0
191.05626	14.2
267.58356	0.8
289.07190	6.2
300.99857	1.3
451.12531	9.3
463.12341	2.3
465.66965	0.8
625.17694	100.0
626.17926	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	625.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51839	1.9
59.01377	7.9
60.97145	2.0
64.39160	1.8
65.35662	2.0
69.69231	2.2
70.86596	2.3
71.01386	9.2
71.43571	3.4
80.97990	2.1
85.02959	10.0
89.02431	5.8
89.04768	2.1
93.03452	2.3
98.64507	3.0
98.99319	2.5
108.02170	28.2
109.02946	3.3
109.90041	2.1
113.02435	3.1
117.00433	4.9
125.02410	3.8
129.05602	4.1
141.00490	10.6
152.01025	3.1
153.01921	2.2
155.01967	2.9
163.49727	2.2
165.00484	3.3
167.01965	2.6
169.00023	3.5
169.01463	2.8
179.03531	2.5
179.05666	5.2
183.01482	3.3
191.05606	100.0
191.69321	2.5
207.01456	3.7
209.03009	2.9
220.08401	2.1
243.03647	12.0
257.03146	3.0
272.08054	2.4
275.01956	2.3
277.28333	2.5
299.04080	14.0
300.99860	10.3
309.11801	4.9
347.91437	2.4
353.03259	3.9
353.07254	54.7
420.39291	2.3
462.10144	5.7
624.97040	3.3
625.16498	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24962	2.2
59.01387	11.6
60.45870	2.1
61.98834	14.2
70.77708	2.8
71.01383	10.8
73.02937	3.6
79.33167	2.3
79.34744	2.2
83.01372	3.4
85.02948	7.8
87.00903	3.3
89.02444	5.7
101.02443	7.6
104.63277	1.9
104.71777	2.2
108.02170	83.4
109.02960	54.6
113.02443	4.7
116.92907	2.7
119.03419	3.1
121.02930	3.7
123.00871	2.7
123.04552	3.4
135.04605	2.6
145.02956	2.6
146.03693	2.2
147.04507	2.5
148.05344	3.0
173.02350	2.1
174.03171	12.4
207.08202	2.2
211.13515	3.3
215.03546	2.7
217.05075	5.1
221.06065	3.0
222.06778	2.6
223.07738	2.4
233.06123	4.1
235.07687	2.8
237.05537	6.8
247.03938	2.2
248.04985	3.1
249.05559	10.9
250.06302	5.3
251.07109	10.0
260.04904	2.6
261.05453	2.5
262.06369	2.7
263.07086	6.1
264.07983	2.9
265.05005	14.2
265.08820	4.4
266.05859	3.9
267.06577	12.1
277.05096	15.5
278.05795	4.3
279.06567	23.0
279.09933	4.9
280.07391	10.3
282.08975	3.8
292.07285	4.6
293.04572	16.6
293.08270	6.9
294.05441	4.4
294.08957	37.1
295.06259	3.6
295.09460	7.2
304.07333	3.1
305.04559	20.9
306.05026	3.5
307.06165	3.4
308.06882	26.2
309.07785	12.4
320.06894	21.6
321.07553	4.4
322.08258	3.6
323.05609	5.6
323.09180	42.3
324.05981	3.1
324.09503	3.7
329.23401	14.7
335.09140	8.6
338.07986	10.2
339.08759	16.6
341.10098	3.4
353.10281	100.0
354.10596	7.3
375.12283	2.9
395.11319	18.3
437.12442	23.3
483.12781	7.6
485.14417	4.3
489.14117	5.3
491.24890	2.5
497.14597	15.4
559.78436	2.4
577.13831	4.8
592.15747	4.9
595.18158	82.9
596.18756	7.8
607.18201	92.8
608.18494	9.0
625.19250	9.1
625.34698	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	625.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11094	0.5
59.01383	4.4
71.01382	4.0
73.02950	0.7
81.03447	0.9
85.02948	4.4
89.02440	3.0
95.01399	0.7
101.02436	1.9
108.02169	53.2
109.02960	20.7
110.03308	0.6
112.27660	0.6
113.02451	1.6
118.50568	0.6
119.03513	1.3
121.02965	0.7
123.04551	1.6
129.05576	2.0
149.04500	0.5
151.04056	1.5
152.01146	45.7
153.01935	19.2
153.05598	0.8
163.03961	1.1
165.01915	1.5
179.05656	2.1
182.22626	0.7
191.05611	3.1
303.06830	0.6
309.11993	4.3
315.07205	100.0
316.07507	4.3
320.97137	0.6
321.27811	0.6
374.33374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03438	1.1
59.01382	4.1
61.98833	3.8
69.03458	0.6
69.98108	0.5
71.01380	9.8
71.05064	0.6
73.02947	3.6
81.03452	0.8
82.95427	1.5
83.01389	1.4
83.05045	0.9
85.02956	4.2
87.04547	0.6
89.02447	1.2
93.07081	0.8
95.01379	1.4
96.02335	0.4
97.03001	0.6
97.06594	1.6
99.00895	1.3
101.02460	6.3
101.06075	0.5
108.02168	15.4
109.02956	25.8
113.02451	5.7
121.02986	0.4
123.00885	0.7
123.04575	0.5
123.08138	0.9
125.02461	2.6
125.09733	5.7
135.08133	0.6
137.09689	0.6
139.11282	0.7
141.12889	0.8
143.03465	1.2
149.09709	0.5
151.03990	1.1
153.09135	0.5
155.10774	2.2
159.02998	1.3
159.53705	0.5
161.03200	1.0
161.04558	20.8
163.11353	1.1
165.01993	0.5
169.01468	0.6
169.12286	0.9
171.10268	7.9
171.11652	0.7
179.07095	0.5
181.08714	0.9
185.11800	2.1
192.00639	0.7
194.71902	0.5
197.11868	2.3
203.07153	0.7
205.03413	0.5
207.03008	0.6
207.10202	0.7
209.11861	5.0
215.12839	0.9
219.10301	0.6
225.11322	0.8
227.12874	3.1
234.01663	0.6
253.09442	0.7
271.08218	10.5
335.22430	1.0
341.23392	6.5
353.23276	9.7
355.25204	0.8
369.22891	0.6
371.24377	100.0
372.24710	7.6
389.19312	0.6
413.25525	1.0
440.90137	0.5
467.26541	1.0
509.47198	0.5
607.27728	1.6
625.11865	2.3
625.27936	7.9
626.28931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03435	1.4
57.53838	0.2
58.00581	0.2
59.01381	2.2
61.98823	0.9
69.03450	0.6
70.35753	0.2
71.01379	6.6
71.05028	0.2
73.02947	2.5
73.55677	0.2
79.56171	0.2
81.03456	0.5
83.01393	0.9
83.05033	1.3
85.02939	2.6
87.00866	0.2
89.02452	0.7
95.01382	1.0
95.05016	0.6
97.02925	0.3
97.06593	0.6
98.21774	0.4
99.00882	0.9
101.02441	3.7
108.02167	11.6
109.02949	22.6
109.06572	0.7
113.02440	4.1
119.03468	0.2
121.06566	0.3
123.00834	0.5
123.04517	0.3
123.08150	0.7
125.02434	0.9
125.09716	2.8
127.11289	1.0
131.68159	0.2
135.08160	0.7
137.09723	1.3
139.11243	0.3
141.09178	0.5
143.03503	1.0
151.03992	0.5
153.09091	0.2
153.12808	0.4
155.10770	1.9
157.12347	0.4
159.02982	1.0
161.04552	15.6
162.04828	0.3
163.11375	0.4
169.12277	0.3
171.10263	5.0
171.11507	0.2
181.08693	5.7
183.10239	0.5
185.11807	1.7
199.09732	0.4
199.13370	0.5
201.14909	0.3
207.10289	0.7
209.11812	10.2
210.12152	0.5
211.13283	0.4
215.12834	1.8
217.14433	0.4
223.46356	0.2
225.11101	0.4
227.13014	0.4
229.14436	2.0
230.15187	0.5
253.09241	1.1
271.08218	9.9
271.11157	0.5
271.19128	0.5
272.08548	0.3
313.23456	0.2
327.21906	0.4
337.23767	1.5
343.24881	1.5
355.19977	0.3
355.24884	5.4
356.25241	0.3
357.26663	0.3
371.24155	0.8
371.28247	0.4
373.25922	100.0
374.26282	6.4
378.42575	0.2
387.27289	0.5
389.74176	0.3
391.21121	0.3
415.27008	0.8
445.21014	0.3
469.28091	0.9
517.29858	0.6
609.28943	1.4
627.33984	3.2
628.34802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01389	1.5
61.98826	1.5
69.03461	0.4
71.01377	5.4
73.02946	1.4
73.81431	0.2
81.03457	0.7
82.81716	0.2
83.01391	0.7
83.04996	0.4
84.95137	0.9
85.00459	0.6
85.02954	2.4
89.02457	0.5
95.01392	0.9
97.02928	0.6
97.06600	0.9
98.22741	0.3
99.00898	0.8
101.02444	2.7
107.01388	0.3
107.78257	0.2
108.02176	11.0
109.02950	21.9
109.06643	0.3
111.08158	0.4
113.02444	3.4
113.09744	0.4
119.03638	0.3
120.92664	0.2
123.00857	0.4
123.04531	0.3
123.08166	2.1
125.02448	0.9
125.09734	0.7
137.09698	0.3
139.11313	1.2
141.09189	0.6
141.12833	0.4
143.03494	0.6
151.00401	0.8
151.03969	0.2
153.09276	0.2
155.10777	0.6
157.12354	0.6
159.02917	0.5
161.04558	10.0
162.04810	0.3
169.12350	0.7
171.10291	1.1
172.70879	0.2
173.38174	0.3
178.99847	0.5
181.08719	0.8
183.10289	0.4
185.11813	7.1
196.40932	0.2
199.13408	0.7
207.10170	0.5
209.11795	2.3
211.13435	0.3
213.15036	0.2
214.12170	1.2
215.12866	0.5
217.10385	0.2
225.11380	0.3
243.02956	0.3
253.09268	0.4
255.03033	0.9
267.19586	0.3
271.02435	1.5
271.08228	6.7
299.01834	0.3
300.02768	2.5
301.03497	2.2
315.05112	0.7
327.21719	0.7
337.23767	1.1
355.24878	4.3
357.26706	0.4
371.24420	1.0
372.24564	0.3
373.25919	100.0
374.26248	5.9
387.27335	0.5
415.26938	0.9
429.08270	0.4
439.26752	0.5
469.27982	0.8
517.30017	1.3
609.29272	0.5
627.13458	1.4
627.34045	4.0
628.34009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31531	1.4
69.17288	3.1
69.17683	7.1
69.21082	1.4
71.01374	1.8
84.25121	1.3
98.40250	1.4
108.02201	3.3
109.02966	9.6
123.00872	7.6
124.01659	3.8
125.02455	18.3
150.75180	1.6
151.00386	7.5
159.03246	7.6
160.04030	40.0
168.00607	3.2
169.01404	29.0
185.18939	1.9
191.05675	2.2
198.17943	1.4
204.03011	11.8
220.24440	1.4
231.03102	1.8
247.31236	1.6
255.72253	1.7
310.47107	1.6
313.05518	8.6
386.81314	1.5
397.65247	1.6
423.09290	100.0
424.09589	3.0
457.68420	1.6
467.11795	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	629.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77224	0.1
55.60645	0.1
59.01395	0.4
60.59350	0.1
61.98839	1.0
69.25861	0.4
69.26247	0.4
71.01382	0.3
74.43493	0.1
89.02444	0.3
95.01397	0.8
96.96024	0.6
107.01433	0.4
109.02976	0.2
117.03452	0.3
119.05058	0.2
120.80386	0.2
121.02944	0.4
123.00895	1.9
124.01685	0.2
124.56004	0.2
125.02439	2.3
129.03497	0.2
133.02988	0.3
137.02426	0.2
139.93008	0.2
140.28490	0.2
145.02969	1.0
146.03688	0.2
147.04532	0.5
151.00391	0.2
157.02954	0.5
161.02461	0.5
163.00443	0.2
163.04019	0.5
164.01167	0.2
166.02670	0.3
166.99863	0.6
169.01442	3.4
170.01801	0.3
173.02477	1.5
175.04028	0.3
177.01903	0.3
179.05698	0.2
185.02477	2.1
189.01942	0.5
190.02686	0.5
190.99937	0.2
191.03778	0.3
191.05640	1.8
192.00636	2.8
193.01372	1.0
194.02190	0.3
199.00319	0.2
200.01091	0.2
201.01927	1.9
203.03510	0.4
205.01286	0.2
206.02057	0.2
207.02898	0.4
213.01929	0.3
216.00665	0.2
217.01453	0.5
219.02899	0.3
222.01706	0.2
223.09785	0.4
226.99852	0.5
228.00458	0.3
229.01401	3.9
231.03015	0.2
234.01723	0.5
243.99979	0.2
245.00856	1.5
247.02376	0.3
249.03848	0.3
254.99327	0.2
257.00900	2.6
258.01547	0.3
273.00385	0.5
274.01212	0.5
275.01990	3.0
282.98502	0.2
283.99603	2.3
298.98495	0.2
299.01703	0.3
299.99084	2.3
300.99878	100.0
302.00226	3.6
312.04703	0.4
327.07010	0.3
383.03232	0.2
391.02957	0.2
395.43097	0.2
403.16245	0.3
404.16336	0.2
437.11267	0.3
467.03470	0.2
468.04160	0.3
468.54443	0.2
477.06308	0.3
508.89310	0.2
566.21320	0.2
593.15033	0.3
629.07788	5.9
630.07947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01662	0.3
55.01867	0.3
59.01373	3.6
61.98819	0.5
69.03462	0.6
70.56971	0.5
71.01373	2.5
73.02927	0.6
76.82973	0.3
80.02696	1.3
81.03442	1.3
82.95399	0.4
83.01422	0.5
83.05026	5.3
84.02171	1.0
85.00443	0.3
85.02952	0.5
87.00888	0.5
89.02453	1.9
93.03403	0.3
95.01400	0.5
95.05024	0.5
97.06593	0.3
101.02431	2.7
109.06616	0.8
113.02447	1.3
113.24505	0.3
116.16026	0.3
119.03502	0.7
125.06060	0.6
125.09731	0.5
127.07686	0.3
135.08165	0.9
137.09694	0.4
139.07625	0.4
139.11314	1.9
143.03514	0.5
149.85233	0.3
155.10786	3.1
156.95027	0.3
161.04543	0.8
163.11270	4.3
165.09149	0.5
165.12859	2.7
171.10255	0.9
179.05588	0.5
181.08696	3.1
181.12323	0.5
183.10254	53.4
184.10605	1.4
185.11871	0.5
191.10744	0.7
199.09775	1.0
207.10263	0.4
209.11819	100.0
210.12131	3.6
211.13383	7.2
221.11836	0.6
223.71664	0.3
227.12888	14.2
228.13263	0.6
235.08188	1.7
253.09265	7.3
269.53683	0.3
271.02344	0.6
275.34778	0.3
300.02661	0.5
301.03326	0.5
357.20279	0.3
375.21671	0.6
401.18231	0.4
419.19186	1.5
445.20844	1.8
447.22394	0.3
593.29584	0.9
611.30707	0.8
629.18530	0.6
629.30579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.5
59.01362	1.7
61.98825	2.4
69.03445	1.1
71.01384	3.7
71.44798	0.5
73.02941	1.6
81.03454	0.6
82.59181	0.4
82.95425	0.8
83.01379	0.7
85.02946	2.1
89.02431	0.8
95.01398	1.6
96.95990	0.8
101.02434	2.5
108.02170	12.6
109.02953	20.5
111.64284	0.4
113.02457	2.0
116.92916	0.6
122.43248	0.5
123.00869	1.5
123.04475	0.5
125.02453	2.2
125.09703	0.5
143.03474	0.6
145.02928	0.5
159.03014	0.8
161.04549	8.8
162.03271	0.6
166.99820	0.6
169.01418	1.2
169.12337	1.3
171.10252	0.9
176.85735	0.5
183.10239	1.0
183.13881	5.7
185.11838	3.9
192.00661	0.8
193.01424	0.9
199.13393	1.8
207.03009	1.0
209.11809	1.9
209.13649	0.5
218.37608	0.5
225.14760	0.5
227.12939	0.6
234.01617	0.8
235.02496	1.0
249.03970	0.6
271.08221	10.3
272.08417	0.7
299.01828	0.5
300.99811	0.8
329.23352	1.4
357.26413	7.7
358.26938	0.8
375.27487	100.0
376.27637	3.5
417.28540	1.5
471.29434	1.1
476.60321	0.5
519.31848	1.8
629.11731	3.6
629.35718	7.1
630.12183	0.6
630.35577	0.6
636.22003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47323	0.1
51.38444	0.2
52.81029	0.2
57.03442	1.3
58.00587	0.2
59.01366	0.7
61.98824	1.0
63.23743	0.2
69.03449	0.4
69.05029	0.1
70.93616	0.1
71.01382	4.4
71.05016	0.2
73.02942	1.4
81.03458	0.4
83.01392	0.5
85.02948	1.7
87.04496	0.6
95.01382	0.6
97.02980	0.2
97.06599	0.3
99.00891	0.4
101.02447	1.9
108.02171	9.6
109.02951	20.1
109.06615	0.3
110.03297	0.3
111.08243	0.2
113.02451	2.4
113.09761	0.2
123.00887	0.3
123.04498	0.4
123.08157	0.8
125.02445	0.9
125.09695	0.2
135.08073	0.4
139.11284	0.9
141.09230	0.4
141.12865	0.6
143.03510	0.4
151.04024	0.5
151.11293	0.2
153.09230	0.7
155.10721	0.2
157.12335	1.6
159.02968	0.6
161.04553	7.4
162.04814	0.2
169.12379	1.0
171.13928	0.2
181.12364	0.2
183.07245	0.2
185.11821	2.1
187.13248	0.3
209.11835	0.4
214.12091	0.2
215.12933	1.2
251.20140	0.2
271.08218	9.5
272.08606	0.2
293.21231	0.4
311.22278	0.5
327.21829	0.4
327.25391	0.4
329.23288	2.6
339.25299	0.5
355.24716	0.3
357.26450	7.5
358.26761	0.4
373.25928	2.1
375.27490	100.0
376.27841	5.0
389.28818	0.7
399.27585	0.2
417.28604	1.1
441.28629	0.3
471.29596	0.9
519.31403	0.8
629.35394	4.6
630.35864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29996	0.4
59.01370	1.3
59.02312	0.4
60.13202	0.4
61.98828	100.0
69.10885	2.9
69.35482	0.4
71.01398	1.0
78.91879	0.4
92.26566	0.4
98.25480	0.4
101.02490	0.5
108.02197	1.2
109.02950	2.8
113.02467	0.4
116.27567	0.4
123.00865	0.6
123.04571	0.6
125.02465	3.4
145.03014	1.1
161.02559	0.7
161.04533	1.0
163.00317	0.4
166.99811	0.4
169.01419	3.4
177.01900	3.3
183.10347	0.6
189.02002	1.8
190.02888	0.5
192.00594	0.9
193.01466	1.4
205.01372	0.5
206.02281	0.5
207.03053	0.9
209.11913	1.3
211.02533	1.2
211.13432	0.7
217.01488	2.5
219.03058	1.0
231.03123	0.7
234.01712	0.9
235.02582	1.0
271.08273	0.8
289.07315	0.7
323.05707	1.9
341.06638	3.9
371.07916	1.2
375.27460	4.1
376.28033	1.9
451.10382	2.7
481.11731	1.0
492.02811	0.5
564.74011	0.4
631.09155	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	630.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99264	0.6
65.08515	0.5
71.01385	0.6
77.48799	0.5
93.03442	0.6
95.01436	0.6
97.58558	0.5
113.37428	0.5
114.07918	0.5
121.02966	0.7
123.00890	1.4
124.01688	0.8
125.02462	2.9
136.01694	0.6
137.02463	0.8
138.03198	1.1
139.00391	0.8
149.02431	0.9
150.03226	1.1
152.01151	0.8
161.02431	4.3
162.03267	2.5
164.01131	3.6
164.98325	0.7
165.01909	1.3
166.02687	5.0
166.99962	0.5
168.00603	1.0
169.01434	0.8
173.02405	0.7
177.01913	2.8
178.02650	1.7
178.99863	1.2
183.02969	2.1
189.01868	0.7
190.02719	5.5
191.03702	0.8
191.05603	3.2
192.00635	62.2
193.01404	23.3
194.02197	16.8
194.03996	0.9
194.99271	0.7
199.85857	0.5
203.03481	0.8
205.01390	5.6
205.05193	0.5
206.02211	5.0
207.02969	30.3
208.03439	1.1
218.02013	0.7
220.03850	0.9
221.00967	2.6
222.01689	6.8
229.01346	0.6
234.01674	26.4
235.02174	1.3
237.00296	0.7
237.04018	4.2
249.04016	11.1
263.06354	0.5
275.02145	0.7
275.13312	0.8
285.00467	0.7
294.03870	0.8
298.98306	0.6
301.00061	2.5
312.04843	19.0
327.07187	100.0
328.07416	3.6
329.07733	0.6
391.03110	1.2
466.02319	0.7
613.05334	0.9
631.05566	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	631.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86212	1.7
76.42137	1.4
79.01904	1.8
81.03453	1.9
97.02944	2.2
98.22611	3.6
107.01388	3.5
111.00977	1.8
123.00871	5.0
124.01656	15.1
125.02451	61.0
126.02731	1.7
133.02980	1.7
135.04504	2.6
137.02399	1.9
139.00340	1.9
144.94843	1.7
145.02956	4.3
149.02426	3.5
161.02460	9.1
162.03194	4.1
163.04002	2.6
165.01921	6.8
166.99825	1.9
168.00668	11.9
169.01427	55.2
173.02417	2.1
177.01875	2.5
179.03578	2.1
180.97935	1.7
183.02989	3.5
189.01891	2.0
190.02699	7.4
191.03450	2.7
192.00647	18.5
193.01425	28.8
205.01385	6.1
206.02182	7.1
207.02983	22.4
208.56311	1.7
211.02504	17.9
219.02942	1.6
221.00882	1.5
222.01692	2.4
234.01720	15.5
235.02425	17.0
247.02350	1.7
249.03972	7.8
259.02353	2.0
298.98190	1.7
309.06113	1.7
359.52798	1.7
422.67633	1.8
461.06857	2.4
479.08322	6.5
631.09399	100.0
632.09680	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	631.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.6
69.37666	2.6
71.01385	0.5
77.02039	0.4
93.03387	0.5
95.01416	0.5
96.96006	0.6
107.01388	1.3
121.02988	1.3
123.00877	3.4
124.01654	4.5
125.02441	9.6
136.01689	0.8
137.02429	1.3
139.00383	0.7
139.03928	0.6
145.02892	0.9
149.02403	2.3
151.00311	0.9
151.03859	0.5
152.01129	0.5
161.02415	0.9
162.03247	0.7
163.04041	1.3
164.01151	2.2
165.01962	2.7
166.02701	1.3
166.99794	1.0
167.03444	0.5
168.00575	3.2
169.01414	10.3
173.28922	0.4
177.01990	0.7
178.02759	0.6
179.03453	1.1
183.02998	0.8
189.01967	0.7
190.02710	1.9
191.03482	1.0
192.00641	29.8
193.01402	49.6
194.02094	5.0
195.02904	0.7
205.01424	1.1
206.02177	1.9
207.02962	11.5
211.02449	9.4
221.00885	1.5
222.01709	1.3
223.02501	0.7
225.04080	0.8
234.01675	4.8
235.02477	4.8
237.04106	0.8
249.04085	2.9
271.04550	2.9
276.02682	0.6
285.03809	0.6
312.04929	3.0
313.05701	3.5
327.07269	2.9
464.05777	1.1
479.08276	100.0
480.08731	7.7
631.09381	4.5
632.09637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60797	0.6
69.37460	1.2
69.37873	2.4
76.73241	0.7
81.03438	1.1
95.01344	1.8
96.69440	0.7
97.02929	1.1
107.01375	2.7
121.02943	1.2
123.00865	6.0
124.01658	12.0
125.02445	32.3
135.04483	0.8
137.02419	1.5
138.03210	1.2
139.00375	1.2
140.01138	1.5
145.02907	1.3
149.02406	2.2
151.00348	2.1
161.02438	2.6
162.03191	2.3
163.04012	1.0
164.01157	2.1
165.01883	2.5
166.02686	1.7
166.99855	1.5
167.03598	1.0
168.00627	5.6
169.01414	33.7
177.01967	1.1
181.01448	0.8
183.02940	2.4
189.01903	1.8
190.02739	3.6
190.99834	0.9
191.03465	1.1
192.00645	26.5
193.01402	22.5
194.02159	2.5
205.01367	2.4
206.02139	3.2
207.02962	10.1
211.02487	11.3
219.02879	0.8
220.00066	1.0
221.00873	3.0
232.03783	0.9
234.01665	10.1
235.02469	8.4
247.02469	1.0
249.04018	3.0
260.71512	0.8
263.01904	1.0
271.04584	1.9
276.02628	1.0
312.04654	1.2
313.05484	0.7
318.40744	0.7
327.07178	1.0
393.18289	0.7
399.30170	0.8
423.05618	1.3
479.08337	11.5
480.08542	1.3
631.09375	100.0
632.09583	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	631.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88823	0.9
58.28332	0.9
59.01349	2.4
60.58154	0.8
61.98829	23.4
65.00312	1.1
71.01355	1.5
71.45004	1.0
81.03458	0.9
82.95378	1.8
89.01906	0.8
89.02435	1.4
89.03928	2.7
91.01851	1.2
95.04989	1.3
95.83441	0.8
96.95972	2.2
97.02945	1.3
101.00430	0.8
107.01337	2.2
108.02116	3.1
108.13916	0.9
108.48420	0.8
109.02956	34.5
116.92762	1.0
117.03448	1.6
117.13336	0.9
119.05029	1.3
121.02904	1.6
123.00829	2.4
123.03751	0.9
123.04529	11.9
124.01582	3.3
125.02448	18.1
133.02950	10.7
135.04492	3.5
137.02406	1.5
145.02959	15.5
147.04532	4.4
149.02426	1.9
150.03140	1.6
151.04004	8.6
153.05612	1.9
157.24715	1.0
159.00702	0.9
159.04422	2.2
161.02451	6.9
161.04555	1.4
162.03255	1.6
165.01883	0.9
168.00533	2.8
169.01424	16.5
170.01628	0.9
175.03999	2.0
176.01118	1.7
177.01918	100.0
178.02184	2.7
182.33623	1.0
183.02910	1.0
187.03886	3.4
189.01924	64.8
190.02681	11.8
191.03458	13.3
192.00621	5.5
193.01369	6.3
201.01987	4.5
201.03693	0.9
203.03569	5.6
205.01321	2.6
206.02145	1.5
207.02982	6.7
209.11877	1.3
211.02486	5.6
216.00632	8.7
217.01408	57.9
218.01889	2.5
219.02988	13.0
223.07561	1.1
231.02933	12.3
234.01768	4.7
235.02451	5.2
249.03871	1.2
255.02985	7.8
267.06543	1.0
269.04346	1.2
271.08044	1.1
279.06256	1.2
281.04440	1.7
282.01575	1.5
285.03922	1.1
287.05588	2.2
289.07001	1.8
297.04028	5.3
299.05444	1.4
305.04364	1.8
308.02997	1.7
323.05582	62.4
324.05695	4.1
327.04956	10.3
341.06631	84.8
342.06851	4.4
356.73138	1.0
358.27383	1.0
371.07718	27.1
372.07870	1.9
375.27408	3.4
376.27917	6.0
377.27802	2.1
433.09253	13.5
451.10315	70.0
452.10522	5.3
461.06915	1.1
465.12027	1.3
477.08078	1.9
479.07886	2.8
481.11429	18.4
482.11322	1.6
503.09387	1.8
521.10535	1.6
631.08948	39.0
632.09308	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	631.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02601	0.7
52.47309	0.7
53.66175	0.7
58.38712	0.7
59.01371	1.9
61.98823	1.7
66.28453	0.7
69.03426	0.9
69.21826	3.7
71.01353	1.2
81.03461	1.0
83.01366	1.2
87.73258	0.7
89.03959	2.0
90.76969	0.7
96.95971	0.7
97.35725	0.9
101.02454	1.0
108.02153	1.6
109.02209	1.7
109.02951	29.4
117.03482	1.1
119.05039	1.2
121.02924	1.9
123.00887	1.3
123.04524	11.2
124.01733	0.8
125.02442	8.8
128.60188	0.9
133.02959	9.8
135.04503	2.5
135.08121	0.9
138.03236	1.4
139.03960	1.0
145.02954	18.2
147.04503	2.2
149.02428	1.2
150.03233	1.0
151.04005	5.3
153.05586	1.4
159.04553	1.4
161.02448	9.3
161.04510	0.7
162.03210	1.0
163.03903	0.8
168.00630	1.0
169.01422	8.4
176.01173	1.6
177.01921	100.0
178.02324	2.6
187.04008	4.2
189.01923	57.1
190.02663	12.2
191.03488	12.0
192.00627	1.6
193.01431	2.6
201.01894	4.3
203.03477	6.1
205.01456	0.9
207.03006	2.1
209.11838	1.7
211.02478	1.9
216.00609	7.1
217.01407	66.0
218.02008	4.9
219.02957	15.9
219.04961	1.2
220.03374	0.8
231.02966	16.2
232.03563	1.8
234.01706	1.7
235.02341	2.2
253.05272	0.7
253.09325	0.9
255.02887	5.8
267.06610	0.9
279.06494	1.0
281.04337	1.4
282.01663	1.1
285.04141	1.0
287.05594	2.4
289.07339	1.9
297.04059	5.8
297.07385	1.7
299.05655	1.0
305.04596	1.9
323.05594	70.4
324.05975	4.1
327.05109	8.9
341.06644	95.7
342.06741	4.8
371.07660	28.4
372.08066	1.7
375.27554	1.6
376.27847	2.6
433.09265	21.0
434.09534	1.4
451.10300	81.3
452.10608	6.4
465.11685	1.4
477.08459	2.0
477.30484	1.0
479.08246	1.3
481.11356	22.9
482.11774	2.5
503.09869	2.4
521.10779	2.4
569.47949	0.8
631.09808	15.0
632.09845	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	631.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21907	0.2
51.61845	0.2
53.58618	0.2
55.80046	0.2
57.03430	0.3
59.01373	1.9
62.01210	0.2
65.62038	0.2
67.01868	0.2
67.96150	0.2
69.03452	0.3
69.50381	0.3
69.50755	0.3
71.01379	1.7
72.99268	0.2
73.02947	0.2
74.60949	0.2
81.03452	0.2
81.11499	0.2
83.01389	0.2
83.05008	0.2
85.02943	5.9
85.03461	0.3
85.82298	0.2
87.00864	1.5
89.02443	1.2
93.03449	1.9
97.13460	0.2
99.04457	0.2
101.02443	0.5
109.02950	0.5
111.04516	1.0
113.02442	0.5
119.03484	0.4
127.03995	1.2
129.01932	0.2
142.96622	0.5
155.03421	0.2
155.55220	0.2
171.03014	0.4
173.04533	0.7
179.05515	0.5
184.97641	0.7
186.97305	0.5
191.05595	100.0
192.05923	2.2
202.98701	0.6
228.98434	0.3
289.00089	0.4
289.03275	7.8
290.03537	0.2
341.10883	3.7
349.04468	0.2
400.98798	1.0
404.25000	0.2
411.74155	0.2
421.07397	1.8
438.90015	0.2
571.12927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33904	0.3
51.41063	0.3
59.01377	0.6
61.98541	0.3
61.98837	3.2
67.01877	0.5
68.25410	0.3
68.36117	0.3
69.03439	0.6
69.30300	1.8
71.01392	1.6
78.01105	0.3
79.01886	0.9
81.03452	0.4
82.95398	0.3
83.01376	0.5
85.02962	0.6
87.00873	0.4
88.98824	0.4
93.03423	0.5
95.01375	1.6
96.96003	0.3
97.02937	1.4
101.02430	0.6
103.06532	0.3
107.01385	4.6
108.02182	3.4
109.02953	6.8
110.00072	0.6
111.00875	1.5
113.02486	0.7
117.03476	4.3
119.05025	8.6
121.02977	0.4
123.00883	9.7
124.01659	8.5
125.02450	29.4
126.02783	0.7
127.00372	0.6
135.79030	0.3
136.98811	0.5
137.02475	0.4
137.30687	0.3
139.00377	2.7
139.04034	0.3
140.01176	2.0
141.01901	1.0
145.02950	27.5
146.03294	0.5
147.74353	0.3
151.00360	3.3
153.01909	0.6
161.06067	0.3
163.04004	10.6
166.99814	0.3
167.03543	0.5
168.00638	4.3
169.01419	35.6
170.01808	0.8
179.03546	0.5
182.44382	0.3
187.03990	0.7
191.03574	0.4
192.00688	0.5
193.01320	1.1
205.05037	0.4
207.03027	0.7
208.03403	0.4
211.02461	0.6
230.82761	0.4
234.01782	0.4
295.04407	0.6
307.08194	2.3
313.05576	1.1
417.11661	1.5
423.09341	1.1
443.09946	0.3
459.09473	0.8
569.12958	100.0
570.13336	6.0
590.40253	0.3
632.09589	4.3
633.09235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0729
Annotation	Corilagin
Peak:m/z	Relative Intensity
55.84114	0.5
59.01366	0.7
59.80822	0.5
61.17709	0.5
63.61317	0.5
68.47971	0.5
69.25270	1.4
69.25674	2.0
75.88837	0.6
95.01392	0.9
98.21861	1.1
100.40308	0.5
107.01401	2.5
119.05016	0.7
121.95434	0.5
121.98226	0.6
123.00877	2.1
124.01643	1.7
125.02433	5.3
129.03424	0.7
133.02986	0.6
139.00374	0.7
145.02962	1.4
147.04510	1.0
157.02963	0.9
163.03964	1.2
169.01392	3.8
173.02405	1.5
175.03983	1.3
177.01857	0.7
185.02420	3.4
189.01869	0.7
190.02699	0.6
191.03497	1.3
193.01395	2.0
201.01906	3.1
203.03490	2.4
211.02374	1.5
213.01826	1.0
229.01379	8.1
231.02934	2.8
234.66054	0.6
245.00858	2.1
247.02487	0.9
249.04019	2.5
257.00922	6.3
258.01688	2.1
273.00351	1.1
274.01276	1.1
275.01959	20.3
276.02405	0.7
276.53607	0.6
283.99628	2.4
299.99069	2.4
300.99869	100.0
302.00159	3.8
331.06540	1.0
421.04037	6.3
422.04892	0.6
463.05151	1.2
481.06110	0.7
496.66071	0.7
606.43219	0.6
615.06122	0.6
633.07312	45.2
634.07507	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	633.073
Annotation	Corilagin
Peak:m/z	Relative Intensity
70.50948	0.6
95.01398	0.5
96.52843	0.3
100.27366	0.4
123.00883	2.8
124.01685	0.7
125.02450	3.1
125.41189	0.4
131.05029	0.4
145.02992	1.0
147.04547	0.8
151.00354	0.7
157.02942	0.7
159.04501	0.6
161.02495	0.4
163.03984	0.7
165.80882	0.4
166.99895	0.4
169.01421	2.8
173.02434	1.9
175.04012	1.3
176.74519	0.3
177.01952	0.5
185.02391	2.9
187.04111	0.3
189.01941	0.9
191.03546	1.2
201.01938	2.6
203.03517	3.7
211.02570	0.7
213.01959	0.7
217.01508	1.0
219.02991	0.7
226.99889	0.9
228.00647	0.5
229.01418	7.7
231.02954	3.5
245.00893	1.4
247.02367	1.0
248.03366	0.4
249.04007	4.7
257.00928	5.7
258.01611	1.6
273.00467	0.8
274.01236	0.6
275.01974	14.7
276.02316	0.9
283.99622	2.1
299.99136	1.7
300.99893	100.0
302.00229	4.3
313.05643	0.4
331.06952	0.5
377.72913	0.4
453.63336	0.4
463.05408	2.2
633.07306	41.9
634.07617	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	633.073
Annotation	Corilagin
Peak:m/z	Relative Intensity
52.93428	0.7
52.99601	0.6
56.62893	0.6
59.01373	0.8
60.89887	0.6
71.01381	1.2
71.44606	0.8
77.11349	0.6
85.02936	0.9
95.01377	1.6
107.01387	3.1
113.02490	0.6
114.97338	0.6
119.05045	0.8
123.00898	5.2
124.01673	1.5
125.02448	13.0
131.04999	1.0
145.02951	0.7
147.04549	1.8
157.02876	1.0
159.04532	2.7
161.02481	0.9
163.04012	0.9
169.01416	10.9
173.02473	1.7
175.04013	2.6
177.01927	1.5
185.02426	2.8
187.04095	1.6
189.01889	0.9
190.02686	0.7
191.03543	2.0
191.05653	2.6
193.01479	1.5
201.01874	4.4
203.03484	9.7
211.02502	0.8
213.01953	1.7
217.01379	0.9
219.03030	1.9
221.04468	1.1
229.01387	9.9
230.01956	1.0
231.02965	11.3
236.28346	0.6
237.73393	0.7
245.00871	1.7
247.02554	1.6
248.97227	2.3
249.04031	24.4
250.04382	1.0
257.00925	9.8
258.01645	4.0
273.00415	1.4
274.01227	1.1
275.01962	43.5
276.02289	1.6
283.99542	3.1
290.98276	2.0
299.99155	2.9
300.99893	100.0
302.00241	4.0
328.70847	0.7
331.06696	1.5
362.31375	0.7
363.60425	0.7
419.06064	1.5
423.09387	0.9
453.03647	0.8
459.42279	0.7
463.04974	0.9
481.06213	5.5
513.05768	1.3
618.15326	0.8
633.07324	69.8
634.07690	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	633.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
59.24915	0.3
61.15570	0.4
70.50858	0.9
71.01372	0.6
88.37913	0.3
95.01379	0.9
96.96010	2.7
102.43138	0.4
109.02973	0.4
119.04990	0.7
123.00892	3.5
124.01682	0.4
125.02465	3.1
129.03448	0.6
133.02959	0.5
134.12082	0.3
135.04532	0.5
139.04240	0.4
145.02939	0.8
147.04596	0.7
157.02919	0.5
159.04497	0.5
161.02553	0.5
163.04066	0.7
165.02017	0.6
166.99878	1.3
169.01439	3.3
170.32788	0.5
173.02438	1.6
175.04088	0.7
185.02429	2.2
189.01898	1.0
191.03586	0.7
191.05505	0.5
201.01961	2.1
203.03513	2.7
211.02438	0.6
213.01884	0.9
214.02576	0.4
217.01515	0.7
217.55441	0.4
226.99889	0.6
229.01396	5.8
231.02974	1.5
245.00945	1.4
249.04016	1.9
257.00888	4.7
258.01721	0.9
273.00400	0.8
274.01279	0.9
275.01993	9.6
283.99631	2.8
293.44763	0.4
299.99075	3.0
300.99890	100.0
302.00211	4.6
313.05640	0.5
331.06537	1.1
463.05228	8.6
465.06583	0.6
481.06375	0.7
504.46155	0.4
563.58667	0.4
632.24829	0.6
633.07349	39.3
634.07770	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	633.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.5
62.13492	0.5
67.01868	0.4
69.03442	1.0
71.01388	2.0
73.02945	0.6
74.25139	0.3
79.01871	0.4
80.96494	0.4
81.03475	0.6
83.01380	0.5
85.02949	1.3
95.01401	1.3
95.08647	0.5
97.02970	0.6
98.21871	0.9
101.02441	1.4
107.01384	3.2
108.02177	1.8
109.02957	8.3
111.00874	0.5
113.02436	1.2
119.04961	1.8
121.06590	4.0
123.00887	9.8
124.01678	4.8
125.02443	20.3
137.02332	0.5
137.09718	34.7
139.00375	1.2
140.01144	1.3
141.01933	1.1
151.00360	7.1
151.03961	0.5
151.42517	0.4
159.04440	0.4
163.04005	1.1
168.00636	3.4
169.01421	31.0
170.01724	0.7
174.36592	0.4
201.01935	0.7
203.03546	0.7
209.03017	0.9
209.04863	0.4
209.08177	3.0
211.02461	1.2
219.53339	0.3
229.01402	2.1
231.03024	0.7
241.03485	0.7
247.02544	0.4
249.04062	0.6
253.03571	0.8
254.61784	0.4
257.00995	1.0
258.01596	0.6
271.04449	0.5
275.01974	5.5
287.79703	0.4
297.06235	0.8
299.99121	0.4
300.99884	14.9
302.00482	0.7
313.02020	0.5
313.05634	9.7
402.32254	0.4
423.09308	100.0
424.09610	4.1
465.06830	0.7
471.14880	1.1
632.55548	0.4
633.07318	8.7
634.07446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54136	0.7
55.74426	0.7
58.60791	0.7
59.01372	2.0
66.00595	0.9
67.01869	0.9
69.03463	2.0
69.33885	3.0
70.20886	0.7
71.01368	2.2
74.65540	0.6
81.03456	1.8
83.01357	0.9
85.02943	1.5
91.95553	0.7
95.01371	1.4
96.95997	1.7
97.02953	1.8
98.22662	1.4
101.02444	2.2
107.01396	7.4
109.02892	0.9
111.00880	2.5
113.02457	1.5
123.00884	7.5
124.01659	13.1
125.02447	75.8
126.02725	1.2
129.34021	0.6
135.91348	0.7
136.98808	1.0
137.02466	1.8
139.00389	2.2
139.03998	0.9
140.01173	2.4
141.01967	1.2
145.02838	0.8
149.02437	0.7
151.00342	4.1
155.03426	0.9
165.01889	1.4
166.99852	1.6
167.03519	1.2
168.00645	10.9
169.01419	100.0
170.01756	2.0
179.03447	1.2
181.01459	1.7
183.02988	1.7
191.02020	1.8
191.03674	0.8
191.05672	2.3
193.01418	11.8
203.10727	0.8
206.02081	0.8
207.03027	1.4
211.02484	33.1
212.02870	1.0
227.56731	0.7
235.02495	1.9
241.03564	3.1
253.03572	2.3
271.04584	33.7
295.04520	2.7
313.05591	8.5
331.06680	10.3
405.04205	1.1
423.05658	7.3
443.11929	17.8
444.12750	0.9
465.06750	13.9
483.07813	9.5
635.08887	85.6
636.09283	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	635.0889
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.56565	0.5
67.01879	0.6
69.03461	1.0
71.01383	3.0
81.03477	0.7
83.01377	0.6
85.02913	0.6
95.01389	0.7
97.02970	1.3
101.02422	0.6
107.01382	4.5
113.02409	0.7
123.00885	6.8
124.01656	7.0
125.02450	36.0
126.02754	0.7
127.00274	0.5
139.00349	1.3
140.01163	1.1
141.01981	0.9
149.00505	0.4
149.02373	0.5
151.00409	4.1
159.70825	0.5
165.01915	0.8
166.99869	1.1
167.03513	1.1
168.00610	3.2
169.01431	53.6
170.01768	1.1
179.03502	0.7
193.01411	2.9
195.03053	0.6
211.02466	5.2
223.02432	1.2
235.26482	0.6
241.03506	0.8
251.12511	0.6
253.03516	0.9
271.04651	1.3
274.89789	0.6
295.04565	2.1
297.06110	2.8
313.05658	21.0
322.65881	0.5
465.06732	100.0
466.07123	5.7
483.07733	1.6
483.33749	0.5
635.08966	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	635.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83533	1.2
58.44294	1.3
69.03463	2.5
69.30880	4.3
69.31279	1.9
71.01374	1.5
73.50600	1.3
81.03443	1.5
81.56696	1.4
83.44592	1.5
89.63869	1.3
95.01393	2.6
97.02969	1.4
101.02442	2.5
104.66119	1.4
107.01395	5.9
113.02469	1.4
116.92847	2.1
123.00905	9.8
124.01663	13.2
125.02451	74.3
139.00374	3.0
140.01169	1.7
151.00342	3.5
153.02051	1.3
165.01874	1.5
165.29805	1.4
166.99847	1.8
167.03467	2.0
168.00604	9.7
169.01425	92.2
170.01689	2.0
171.55888	1.4
178.20238	1.3
181.01385	2.8
183.02960	1.8
185.50569	1.3
193.01425	13.0
194.01689	1.5
207.03134	2.2
211.02484	20.1
221.04570	2.0
235.02432	2.9
241.03685	1.8
253.03407	1.8
271.04599	10.7
295.04413	1.7
313.05640	13.2
423.05774	14.2
465.06720	19.3
476.21100	1.5
483.07855	11.3
635.08899	100.0
636.09320	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	635.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01395	0.5
61.98859	0.5
65.29575	0.5
69.03461	2.1
70.81162	0.7
79.01881	0.8
81.03467	2.4
83.01388	1.4
90.68777	0.4
93.03484	0.7
95.01388	1.1
95.05036	0.9
97.02954	3.2
97.05661	0.4
105.03448	0.6
107.01398	0.9
108.02204	0.7
109.02958	15.2
111.00928	0.5
115.71936	0.5
121.02983	1.8
122.03649	0.5
123.00872	1.9
123.04520	6.5
124.01645	1.8
125.02445	65.9
126.02796	1.6
127.02898	0.6
133.02957	2.8
134.03745	0.5
135.04498	1.6
137.02441	7.0
138.03168	0.6
139.04002	1.5
139.25732	0.5
145.02974	2.6
146.03709	0.5
149.02466	2.5
151.03998	5.0
159.04494	2.2
161.02448	2.4
161.06079	2.9
162.03180	0.7
163.03986	0.9
164.01216	0.9
165.01909	2.3
166.99892	1.7
167.03517	1.2
168.00592	0.9
169.01421	100.0
170.01733	2.3
175.04056	0.7
175.07611	0.5
177.01942	11.9
179.03503	2.0
185.06126	0.6
187.04001	2.8
188.04756	2.0
189.01929	4.8
190.02625	1.4
191.03450	1.0
193.01414	6.1
193.03038	0.7
193.03349	0.6
193.05046	5.2
194.01904	0.5
199.07552	0.6
201.01962	0.7
201.05647	0.7
203.07117	5.2
205.01520	0.5
205.05032	4.9
216.00627	1.2
217.01427	1.6
219.02914	0.7
221.04599	1.1
221.08264	1.0
227.07124	1.1
231.02985	1.0
237.02722	0.6
245.04587	0.6
245.05367	0.5
245.08160	8.8
247.06018	0.9
253.05037	1.3
255.06508	0.7
259.06097	1.1
271.06122	4.6
275.05756	0.7
279.06729	0.6
281.04581	1.0
289.07175	47.8
290.07516	1.8
297.04269	0.8
297.07620	0.5
303.05157	1.6
323.05505	2.0
329.06592	0.5
331.04462	1.2
331.08102	2.2
341.06592	6.8
342.06961	0.6
355.08157	7.1
356.08414	0.6
373.09329	4.9
441.08252	13.0
442.08621	0.9
451.10217	4.6
465.11969	1.3
483.13074	7.9
484.13110	0.6
493.07693	2.4
525.10345	1.6
585.97278	0.6
603.10919	1.5
635.13483	11.4
649.84863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.01373	0.6
67.01897	0.6
69.15235	2.7
76.78693	0.5
81.03462	1.6
83.01383	2.6
93.03458	0.5
97.02966	2.9
107.05037	2.4
108.02180	0.9
109.02950	14.9
111.00884	0.5
113.74383	0.4
116.92845	0.6
117.03397	0.8
121.02958	1.3
123.00854	0.7
123.04525	5.6
124.01646	1.6
125.02446	26.6
126.02792	0.6
134.03764	0.7
135.04526	24.0
137.02448	13.4
139.04007	2.0
143.18726	0.5
144.88344	0.5
145.01866	0.8
145.02939	6.0
146.03708	1.7
147.04546	0.8
149.02446	2.3
149.06006	0.6
151.03998	12.3
151.05191	0.6
159.04500	4.4
161.02464	1.3
161.06058	4.7
162.03180	1.1
163.04037	3.5
164.01140	1.3
164.29883	0.4
165.01926	3.2
167.03511	0.8
168.00647	2.2
169.01418	3.7
173.06029	0.9
175.03957	1.7
175.07547	0.9
177.01862	1.2
177.05571	1.0
179.03496	5.1
181.01479	0.6
183.02997	6.2
183.04460	0.8
185.06056	1.7
186.12769	0.5
187.03996	4.7
188.04825	1.6
190.02707	1.0
191.03528	1.4
192.00603	0.9
193.01358	0.7
196.05214	0.8
199.03979	0.6
199.07610	0.7
201.05536	1.4
202.06375	0.9
203.07135	7.6
205.05054	6.9
209.06190	0.7
221.08151	1.3
227.07010	2.6
229.05016	1.2
229.08611	1.7
231.03012	0.9
233.08142	0.6
245.08171	11.2
245.10564	0.9
247.06071	1.1
253.05034	1.9
253.08809	0.8
264.04431	0.6
271.03323	1.0
271.06128	15.9
271.09631	1.5
272.06552	1.1
279.06595	1.2
289.07162	100.0
290.07605	3.4
297.07666	8.7
305.06693	0.5
305.14639	0.5
313.05579	0.8
315.08716	21.4
315.12408	1.1
316.09055	1.4
317.06653	6.4
341.06586	4.4
451.10229	4.4
455.09842	11.0
456.10107	1.2
465.06738	1.6
469.11356	10.7
470.11835	0.7
473.11752	0.6
481.11084	1.5
482.09164	0.8
483.13248	4.1
635.14594	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	635.2511
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.28802	0.5
52.97798	0.5
53.45991	0.5
61.98816	0.5
64.32558	0.7
69.92976	1.0
69.93330	0.7
98.22591	0.5
101.05227	0.4
128.64281	0.5
161.55835	0.5
176.85376	0.5
186.05063	0.5
215.91107	0.5
431.15005	1.6
432.15939	1.7
438.81335	0.5
445.16632	1.6
446.17166	1.4
447.18143	1.3
473.20001	1.3
474.16974	5.0
475.17743	19.9
476.18600	2.5
488.18692	0.8
489.19070	4.0
490.20035	0.7
533.18237	14.2
534.18793	1.5
547.20129	1.6
624.08319	0.6
635.25110	100.0
636.25488	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	637.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51240	1.0
57.00290	1.0
66.73672	1.0
69.90947	2.3
69.91271	1.8
78.95902	19.4
89.55948	1.0
93.78851	1.0
96.96952	2.3
98.22616	1.3
112.66909	1.0
127.11263	1.2
143.98019	1.2
152.99576	15.6
165.25183	1.0
171.00609	3.4
171.10265	46.4
172.10570	2.0
194.39436	1.0
227.03340	1.4
255.23285	100.0
256.23608	6.6
307.09485	3.3
381.13312	1.3
637.37207	30.6
638.37622	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	638.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	0.9
69.40421	0.9
71.01366	3.1
71.91927	0.9
81.03444	1.2
85.02914	1.1
95.01385	2.0
101.02407	1.0
107.01398	6.6
108.02217	1.3
109.02938	3.1
111.00855	1.2
113.02398	1.2
121.65874	0.9
123.00885	10.4
124.01659	8.5
125.02445	44.9
139.00404	1.7
139.03865	1.0
140.01151	1.6
141.01917	1.7
151.00375	6.1
166.99855	2.5
167.03477	1.1
168.00656	4.7
169.01431	67.4
170.01747	1.8
179.03468	1.2
190.78421	1.0
193.01398	2.8
195.02750	1.1
211.02464	3.6
220.45288	1.0
223.02422	1.8
253.03528	1.3
264.93900	0.9
295.04663	2.2
297.06097	3.1
313.05640	24.6
405.08084	2.3
407.45020	1.0
423.09229	7.2
465.06766	26.9
575.10431	100.0
576.10760	9.8
628.29138	1.0
630.38275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86630	1.5
55.60129	1.6
59.01376	13.4
69.10420	9.0
71.01375	4.5
72.99267	1.9
85.02943	1.9
89.02443	4.9
97.02943	3.1
99.04520	4.1
101.02411	2.3
107.01360	1.9
108.02158	2.6
109.02963	20.9
111.08147	1.5
116.92856	3.0
119.03513	1.8
121.02882	1.4
123.00873	6.0
123.04508	7.1
124.01631	1.8
125.02441	55.3
133.02953	3.5
135.04523	3.7
141.93686	1.5
145.02866	2.0
146.84096	1.6
151.00406	2.0
151.04002	10.4
161.02452	4.1
161.04619	2.0
163.03986	2.2
166.99838	3.4
168.00485	3.1
169.01424	100.0
177.01913	42.2
179.05556	2.1
187.03957	2.1
189.01958	20.5
190.02650	5.3
191.05524	2.8
193.01419	20.1
201.01904	3.1
203.03452	3.0
216.00604	3.3
217.01408	8.1
218.02199	1.8
219.02945	3.2
222.95105	1.5
229.08646	2.2
231.02948	2.8
235.13319	5.3
253.04994	1.6
255.02937	2.3
259.05951	1.6
279.06451	2.3
281.04486	8.0
285.03967	2.4
297.04047	7.2
297.07504	3.4
301.03476	2.3
303.05078	5.9
315.17996	3.5
323.05515	5.6
341.02795	3.0
341.06647	40.0
433.09164	10.3
447.09100	4.1
451.10406	22.9
459.27396	6.7
493.07733	19.2
603.11505	55.2
604.12177	5.0
639.30957	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	639.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20002	0.5
69.56081	1.7
95.01392	0.6
101.90128	0.5
106.95881	0.5
111.81200	0.5
123.00909	2.3
125.02426	2.0
128.70557	0.6
130.08791	0.6
163.04053	0.5
166.99783	1.4
169.01465	2.6
170.01863	0.7
191.04080	0.4
191.05618	3.1
241.98592	0.6
250.36893	0.5
254.99477	0.5
257.00949	1.0
258.01712	1.2
269.98029	7.0
270.98846	8.7
276.91956	0.5
280.34244	0.6
283.99582	2.0
285.00403	9.6
286.01160	2.3
297.00555	0.6
297.97513	17.2
298.98309	28.9
299.99063	3.6
300.99850	2.1
312.99881	35.1
314.00662	49.2
315.01285	3.6
327.01495	1.3
423.09375	1.3
461.03809	0.6
476.06094	5.1
477.06708	30.5
478.07028	1.9
639.11987	100.0
640.12494	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	639.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93833	0.5
57.03458	0.6
57.07755	0.5
59.01374	0.7
61.76020	0.5
65.00316	1.2
66.25692	0.5
69.18159	2.1
69.18561	1.2
70.30257	0.4
71.01395	0.6
80.94118	0.5
83.01382	0.6
85.02957	4.0
87.00871	1.0
91.73029	0.6
93.03455	1.0
101.02332	0.5
107.01389	2.3
108.02158	1.1
109.02935	1.6
111.00887	1.5
121.02952	1.4
125.02409	0.7
133.37413	0.4
146.20940	0.4
148.01584	0.6
151.00374	9.9
163.00333	2.5
163.91269	0.5
164.01096	0.7
178.99876	5.4
191.01974	1.9
191.05606	25.6
211.03955	1.0
226.02766	0.8
227.03537	1.4
235.59586	0.5
236.67564	0.5
243.02934	5.0
245.04529	1.4
252.85062	0.5
254.02303	0.7
255.02971	14.7
256.03561	0.8
266.02118	0.7
271.02475	26.7
272.03033	1.7
273.04077	1.2
283.02649	0.8
300.02740	61.9
301.03491	44.2
301.07132	1.0
302.03772	2.1
389.54456	0.6
447.09305	100.0
448.09747	6.3
455.12646	0.6
637.35907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37144	0.5
57.03432	0.7
59.01381	6.3
69.06958	3.3
71.01381	10.0
73.02951	2.5
73.13029	0.4
74.37230	0.4
74.85508	0.5
80.15648	0.4
83.01373	0.7
85.02947	7.1
89.02452	4.6
95.01379	1.1
96.95988	0.5
101.02438	7.1
108.02164	1.4
109.02921	1.2
113.02463	5.3
119.03464	1.3
121.02977	2.7
122.03735	100.0
123.00870	0.8
123.04538	20.4
125.02441	0.7
129.05623	2.4
135.04535	2.6
137.02361	0.7
137.06079	3.0
143.03572	0.8
147.04501	1.5
149.06064	1.0
150.03238	0.7
159.03004	1.5
159.04442	0.9
161.04546	13.6
162.03192	1.1
165.05557	6.8
177.05560	4.9
179.05629	2.7
191.05725	1.0
221.04727	0.6
239.05653	2.9
285.09747	5.4
309.11932	6.2
310.12314	0.6
329.08746	66.1
330.09186	1.8
373.42230	0.7
388.63983	0.6
639.17902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.3
60.22120	1.8
61.98820	8.1
71.01379	9.0
73.02931	3.3
78.74237	1.5
78.95905	8.9
90.59236	1.8
101.02447	6.9
108.02163	7.0
109.02964	14.9
113.02438	4.5
137.09744	2.2
152.99582	3.2
161.04541	10.5
191.14355	2.0
209.10077	2.1
209.11852	25.8
210.12199	2.9
211.13434	17.6
229.14343	2.3
233.15413	2.1
235.13257	2.1
236.32137	1.8
253.09348	2.2
271.08304	4.2
329.23300	100.0
330.23788	4.6
341.26703	2.1
353.23297	7.3
367.24713	3.6
371.24298	8.2
385.25998	38.6
431.26349	4.9
453.17371	4.1
569.30054	1.6
621.32416	3.3
639.31573	47.1
640.31738	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	639.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.5
59.01363	1.2
61.98837	1.2
70.04118	0.5
71.01375	3.4
73.02930	1.6
78.95905	1.8
83.01378	0.9
85.02940	2.1
95.01382	0.8
96.95986	0.5
101.02454	2.3
104.13766	0.5
108.02168	8.3
109.02956	18.8
113.02444	1.8
125.02442	1.2
139.11304	0.8
143.03497	0.5
151.11217	0.5
152.99519	0.7
153.12802	0.5
157.12337	0.6
160.84084	0.7
161.04546	3.3
169.12328	1.3
171.10312	0.6
185.11850	1.6
209.11818	3.3
209.90236	0.5
211.13373	3.0
215.12885	1.5
271.08145	2.7
305.24832	1.5
323.25745	2.5
339.25311	1.4
341.26926	8.4
349.23944	2.0
367.24860	8.4
368.25024	0.6
385.25943	100.0
386.26361	6.6
399.27594	1.4
415.05969	0.5
427.27054	1.8
481.28275	0.8
529.30304	1.3
621.32629	1.1
639.33942	5.0
640.33984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63115	0.7
59.01101	0.9
59.01378	2.4
59.76529	0.7
61.98807	1.6
69.13969	2.1
69.14373	3.3
70.99622	0.7
71.01374	1.4
71.54923	0.7
85.02949	0.8
89.02480	0.9
93.03451	2.0
95.01346	1.0
96.45557	0.9
97.02970	0.8
98.22739	1.3
101.02459	1.3
105.03468	1.4
107.01382	0.9
108.02179	1.8
109.02946	9.9
119.01367	1.0
121.02957	2.3
123.00867	2.2
123.04523	2.6
124.01671	1.0
125.02448	14.2
133.02945	2.6
135.04514	1.7
136.01642	1.9
137.02449	4.7
139.04012	0.9
145.02898	1.3
147.00861	1.0
148.01717	1.4
149.02443	5.0
149.06047	0.8
151.00392	0.9
151.03989	8.4
159.46170	0.7
161.02454	8.0
162.03194	2.3
163.00310	1.0
163.04060	1.8
164.01161	7.4
165.01932	7.0
166.02684	2.3
168.00633	1.6
169.01421	28.2
173.02444	1.6
176.01161	2.7
177.01933	15.3
178.99802	4.7
183.02925	1.3
187.03946	2.2
189.01967	1.4
190.02689	4.0
191.03462	2.0
191.05560	1.0
192.00638	71.9
193.01404	100.0
194.02080	6.4
195.02873	1.2
199.03899	1.1
205.01399	2.7
206.02231	3.3
207.02948	17.7
209.00993	1.5
211.02441	3.1
213.05635	1.4
215.03488	1.9
221.00935	5.0
222.01624	1.9
223.02399	1.2
227.03421	2.3
234.01711	12.4
235.02455	12.3
237.03929	1.1
240.04190	1.7
241.05051	2.7
242.02084	1.6
243.02968	9.2
244.03664	2.7
245.04529	3.3
249.04146	4.4
252.08643	0.9
257.04541	2.8
263.01923	2.7
267.02997	1.8
268.03680	1.2
269.04523	5.1
270.01645	1.0
271.02444	21.2
272.02850	1.2
285.04019	15.4
286.04633	2.4
287.05551	0.8
289.03748	0.9
294.03964	0.8
295.02234	4.6
299.18582	0.9
313.03406	31.4
314.03888	0.9
317.19357	1.0
327.04800	1.5
330.03842	1.3
331.04584	13.6
370.66248	1.0
373.05627	18.3
389.44623	0.9
433.07898	8.5
447.09369	1.9
464.06067	0.8
479.08319	32.1
479.25262	1.0
480.08356	2.3
531.07764	20.8
532.07996	1.2
609.67548	0.8
641.11426	69.5
642.11841	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	641.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.9
61.98820	6.5
64.58417	2.1
66.84789	2.0
69.03432	2.7
70.46050	2.0
71.01373	7.0
71.44651	2.6
89.02448	4.8
90.72121	2.3
91.61765	2.3
93.03458	8.7
95.01408	3.0
97.02962	2.1
97.22304	2.1
108.02152	4.5
109.02983	11.1
113.02450	2.8
116.92843	8.0
121.02866	2.6
123.00861	5.5
123.04535	3.7
125.02448	74.9
126.02795	3.4
133.02963	14.2
133.58775	2.7
135.04510	7.3
137.02423	19.1
145.02945	3.9
148.98053	2.3
149.06084	2.9
151.04021	2.6
161.02446	41.0
161.04527	2.2
162.03154	2.5
162.60443	2.5
165.01932	3.2
169.01422	100.0
170.01703	3.8
177.01935	16.0
177.05586	4.1
179.03505	3.3
189.01906	9.2
190.02687	9.0
191.03403	3.0
192.00653	17.4
193.01411	28.4
205.01447	4.5
206.02193	5.4
207.02936	12.5
217.01532	3.5
220.94098	2.5
221.04541	4.3
234.01680	16.7
235.02510	6.3
249.04025	5.8
251.21153	2.3
281.06769	2.9
281.09564	2.4
303.04968	2.7
304.45544	2.3
323.05554	6.1
341.06665	8.7
387.24329	3.8
433.07901	7.8
451.09872	6.4
460.27945	3.3
461.28751	2.8
469.44516	2.8
489.10431	35.4
603.11115	29.9
605.11835	9.9
640.34491	3.4
641.11444	72.3
642.11823	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	641.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11776	1.0
59.01377	41.4
71.01381	19.6
71.43492	1.5
72.99293	1.0
74.22070	1.1
74.99352	1.1
85.02950	20.0
87.00860	2.1
89.02446	22.5
95.01378	2.5
98.99383	9.5
101.00954	1.9
101.02447	10.7
102.98858	4.7
107.01363	3.5
113.02444	7.9
117.00433	1.5
119.03526	8.7
122.03748	7.2
123.00876	3.6
123.04081	1.2
123.04498	1.0
124.01642	10.8
124.04854	1.3
125.01007	1.7
125.02437	33.4
126.98876	1.4
129.05554	10.9
140.01144	2.0
140.99400	1.7
141.00447	26.5
143.01971	3.8
143.03500	1.4
147.06607	1.9
151.00438	2.2
153.00438	5.7
161.04556	2.0
167.01999	21.9
167.03342	1.8
168.00618	10.8
169.01419	62.0
169.04807	4.8
171.01439	1.2
179.05611	8.9
185.03084	2.5
187.04562	3.5
191.05594	7.5
197.02989	4.1
201.02563	4.1
211.02521	55.7
211.04564	10.7
221.03192	2.0
227.04126	1.5
229.05574	1.9
241.03583	6.6
241.05679	1.2
271.04575	100.0
272.05008	3.6
281.51172	1.1
285.77405	1.2
309.11948	18.0
329.08771	2.8
331.06082	80.6
331.09744	20.0
331.13947	3.1
332.06891	2.4
346.03781	1.3
391.10806	3.0
461.15906	11.4
576.05969	1.3
641.21857	76.7
642.22052	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	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
70.74815	0.5
71.01373	1.5
73.02950	0.3
78.95886	0.3
85.02963	0.5
85.37492	0.2
87.00880	0.5
89.02438	1.1
101.02451	1.4
102.83868	0.2
111.08100	0.2
113.02489	0.6
119.03509	0.5
125.87913	0.2
129.94817	0.2
145.05013	0.3
155.10675	0.2
161.04532	0.6
167.10800	0.4
167.14388	0.8
180.42682	0.2
183.13896	6.4
193.12292	2.1
209.36714	0.2
211.13390	100.0
212.13736	3.9
235.08206	1.4
244.77196	0.2
253.09283	3.5
387.25397	0.5
405.26334	0.3
429.21320	0.7
447.12991	0.3
447.22385	5.5
448.22574	0.3
623.34619	1.0
654.21222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
60.47696	0.1
69.03448	0.4
71.01374	1.1
73.02949	0.4
83.01409	0.1
83.05018	0.2
85.02972	0.3
87.00851	0.3
89.02454	1.0
98.21838	0.2
101.02432	1.1
108.12405	0.1
112.42801	0.1
113.02461	0.7
119.03531	0.2
125.82560	0.1
143.28773	0.1
153.70662	0.1
158.97784	0.1
161.04550	0.7
165.12811	0.2
165.89476	0.1
167.10732	0.4
167.14412	0.5
179.05624	0.2
183.13885	6.8
184.14378	0.1
193.12314	1.9
211.13383	100.0
212.13715	3.4
235.08211	1.8
253.09280	3.5
387.25415	0.3
405.26633	0.3
429.21335	0.7
447.22363	6.0
448.22531	0.5
623.34320	0.8
624.34943	0.2
641.35077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
58.28612	0.3
59.01380	1.8
69.03455	0.4
71.01379	1.8
73.02945	0.3
83.05006	0.4
85.02961	0.5
89.02445	0.8
97.78990	0.3
101.02451	1.5
102.94633	0.3
111.08158	0.3
113.02438	0.7
114.04726	0.3
119.03512	0.5
128.00880	0.3
129.01869	0.4
143.55406	0.3
145.05157	0.3
151.50278	0.2
154.00658	0.7
156.00356	0.9
161.04573	0.6
165.12874	0.3
167.10793	0.4
167.14355	0.5
183.13902	6.0
192.19838	0.3
193.12363	1.7
198.96841	0.3
211.13396	100.0
212.13705	3.2
235.08163	1.5
253.09276	4.0
309.00235	0.7
311.00067	0.3
387.25381	0.3
429.21503	0.4
447.22363	5.6
448.22467	0.4
623.34235	0.7
641.35583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92904	0.4
57.03448	0.4
59.01374	1.9
69.03429	0.6
69.29860	1.7
71.01377	1.0
77.09036	0.4
77.10972	0.5
78.70432	0.4
80.96505	0.6
81.03460	0.6
83.39899	0.4
85.02951	1.1
87.00868	0.5
87.91647	0.5
89.02435	1.2
93.03432	1.0
95.01373	2.3
97.02952	1.1
98.97150	0.4
103.40488	0.5
109.02969	0.8
111.00875	0.7
111.04578	0.4
113.02435	0.7
117.03571	0.5
120.22556	0.5
121.09795	0.4
123.00896	3.7
125.02444	1.5
137.02452	1.7
139.00391	1.3
139.04001	2.3
145.02969	1.2
151.00349	1.4
153.01895	1.0
157.02975	0.9
161.02400	0.7
164.98264	0.7
165.01932	9.6
166.99858	1.5
169.01418	2.1
171.00839	0.7
172.01715	0.6
173.02426	1.0
179.05502	0.7
185.02440	1.8
187.00398	1.6
191.05594	8.8
193.01489	0.5
199.00317	0.6
200.01207	0.7
201.01982	1.1
214.99832	1.8
216.00586	0.5
217.01360	0.5
226.99808	1.0
228.00630	1.3
229.01352	3.2
242.99330	7.0
243.99915	1.3
245.00729	0.8
249.04070	0.5
257.00906	2.0
270.98828	30.7
271.99359	1.6
275.02023	1.3
282.98938	0.5
283.99615	2.1
285.00485	3.6
298.98322	64.2
299.99011	13.8
300.99881	100.0
302.00168	3.1
306.01636	0.5
307.02664	0.6
310.98386	0.7
323.01913	0.8
341.05215	1.0
345.08255	2.3
351.01337	0.9
363.01605	0.5
363.70267	0.6
407.00302	2.5
423.09485	0.8
425.01236	0.8
450.99344	10.9
451.99857	0.9
457.20786	0.4
466.02966	1.1
481.10138	0.6
643.05774	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	643.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
59.76924	0.3
66.31155	0.3
68.27161	0.3
71.01387	0.8
71.05019	2.3
77.03939	0.8
83.01377	0.8
89.02433	0.7
93.03448	1.3
95.01357	0.6
95.05022	1.9
97.02943	9.3
101.02415	0.6
105.54703	0.4
109.02954	5.7
113.02483	0.5
117.32248	0.4
121.02939	3.7
137.02435	17.2
139.04004	60.8
140.04353	1.2
149.30090	0.3
153.01935	17.6
156.47961	0.4
162.12422	0.3
163.04042	1.0
165.01921	100.0
166.02231	2.3
183.02966	5.8
195.02936	0.6
207.03043	0.8
255.04982	0.5
297.06076	0.4
300.99728	0.4
315.07169	2.2
327.07202	3.8
345.08240	77.4
346.08511	3.8
353.05307	0.3
374.66302	0.4
463.08630	1.8
481.09760	6.3
621.52625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80948	0.3
56.23610	0.3
59.01371	1.4
69.03442	0.5
70.79059	0.6
71.01382	1.5
71.05027	2.1
75.85549	0.3
77.03962	0.8
77.87299	0.3
82.92585	0.3
83.01380	0.9
89.02434	1.1
93.03455	1.6
95.01378	0.6
95.05041	1.7
97.02947	8.8
101.02432	0.6
108.02149	0.4
109.02944	5.3
113.02448	0.5
121.02950	4.0
125.02432	0.8
135.04535	0.5
137.01625	0.2
137.02435	17.3
139.04007	50.8
140.04318	1.2
153.01929	15.9
156.72871	0.3
161.02428	0.6
161.04512	0.3
163.00356	0.7
163.04012	1.3
165.01920	100.0
166.02252	2.5
169.01384	0.7
183.02959	4.9
191.05565	2.4
195.02997	1.1
207.02959	1.1
270.98889	0.8
298.83560	0.4
298.98331	1.3
299.99002	0.7
300.99899	3.6
301.03229	0.7
302.00232	0.4
315.07266	2.2
322.87109	0.3
327.07181	4.6
345.08237	69.4
346.08530	3.2
450.99255	0.7
463.08768	2.9
481.09830	6.6
523.10925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
60.45071	0.5
67.61851	0.6
71.01392	2.8
73.02935	0.8
75.00845	0.6
85.02955	1.7
93.03423	0.8
97.02988	0.7
99.00851	0.7
101.02452	1.2
108.02175	14.5
109.02958	15.7
113.02442	1.4
121.02968	3.6
122.03702	4.1
123.04504	1.1
132.02174	8.7
133.02940	4.7
134.03746	12.5
135.04474	2.4
136.72661	0.6
137.02475	0.8
149.02452	6.4
149.06076	2.5
150.03220	17.5
151.03947	1.0
160.01659	53.2
161.02441	11.8
161.04483	0.8
164.04764	1.5
165.05565	14.5
165.23106	0.6
175.04001	65.2
176.04317	0.9
178.02733	1.2
179.03477	1.6
180.04193	0.8
190.02504	0.6
192.00729	0.6
193.05064	9.8
194.05440	1.0
195.05025	1.2
195.06631	3.8
223.57915	0.6
234.06960	0.6
235.06099	0.7
239.07124	0.9
250.06285	0.7
269.04544	1.5
282.09079	2.6
284.06927	0.9
299.09183	1.9
311.09222	1.9
323.07523	1.0
329.10437	1.8
337.09283	8.5
341.06613	0.8
341.10291	8.4
371.11316	0.9
427.94678	0.6
446.12329	1.0
447.12955	100.0
448.13269	7.7
451.10474	0.8
485.14447	1.9
501.13977	2.5
595.18091	8.0
596.18823	0.8
643.20575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85221	3.7
54.00500	4.1
59.01376	100.0
71.01377	29.3
89.02431	53.8
93.03444	8.4
101.02448	9.4
113.02455	14.0
119.03504	17.9
127.74260	3.8
131.03563	5.5
133.02956	8.9
135.04550	5.3
143.03465	9.4
161.04556	10.8
173.04643	6.9
174.54181	4.0
179.05592	75.8
215.05774	7.2
238.43637	4.1
351.07089	8.5
351.12961	16.2
461.22958	3.8
491.92740	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	643.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
56.61394	0.7
57.03435	1.1
58.00608	1.9
59.01379	100.0
65.03978	0.8
69.49046	2.5
71.01380	57.0
72.99309	1.7
73.02960	1.4
79.43997	0.6
83.01393	1.8
83.05018	1.0
85.02947	13.9
87.00878	2.6
89.02443	73.3
90.02734	0.8
91.05540	1.6
93.03483	1.2
95.01406	4.7
97.02978	0.8
98.63905	0.7
99.04523	1.7
101.02446	26.0
101.03092	1.4
106.72487	0.7
109.02966	3.6
111.04558	1.9
113.02454	22.2
119.03503	29.2
120.99609	0.7
125.02495	1.0
127.04037	6.2
129.05573	7.6
131.03522	3.9
135.04550	2.3
139.00412	1.0
139.03996	3.5
143.03513	7.4
149.04620	3.4
152.42094	0.7
153.01886	0.8
153.05580	11.7
154.75119	0.8
161.04562	12.8
161.67021	0.9
165.01974	1.3
166.99919	1.1
171.06641	5.8
179.05609	51.1
180.06050	0.9
183.06714	2.6
187.06161	1.0
191.05684	3.5
201.07776	1.2
213.07770	1.4
219.08733	1.1
231.08774	7.4
242.99515	1.5
243.99925	0.9
270.98834	7.4
271.99475	1.2
285.00366	4.0
291.10867	8.2
298.98312	10.5
299.99072	10.2
300.99908	23.0
302.00320	1.4
323.01944	1.3
345.08380	1.0
351.01559	1.1
387.31067	0.8
407.00626	3.0
425.01541	4.2
450.99384	16.2
469.31958	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	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
59.01377	3.7
61.98806	0.6
64.32639	0.2
69.03435	0.8
70.79949	0.3
71.01381	2.5
73.02934	0.8
80.02672	0.7
81.03440	0.8
83.01377	0.6
83.05014	3.3
84.02160	0.4
85.02946	0.7
87.00856	0.3
89.02431	1.6
95.05011	0.5
97.06594	0.3
101.02441	2.3
113.02447	1.4
113.97334	0.2
119.03471	0.4
125.02453	0.3
125.06051	0.3
125.09727	0.4
143.03458	0.3
145.05019	0.4
151.11241	0.3
153.09254	0.4
153.12849	1.3
161.04539	0.9
163.11264	2.4
165.12846	1.5
169.12332	5.8
170.12718	0.3
171.10228	0.9
179.05556	0.3
179.10751	0.7
181.08652	0.2
181.12389	0.4
185.11826	0.2
191.10762	0.6
195.10144	0.3
197.11816	100.0
198.12148	3.6
198.60536	0.2
199.13231	0.3
209.11815	69.8
210.12115	3.0
211.13437	0.6
227.12875	12.0
228.13208	0.5
235.08211	3.3
235.13359	0.9
239.71246	0.2
253.09258	7.8
254.09740	0.3
371.22137	0.3
389.23657	0.5
415.20032	0.3
424.76666	0.2
433.20697	4.9
434.21143	0.4
438.28409	0.2
445.20688	0.9
480.79703	0.3
496.00339	0.3
607.31335	0.8
625.32495	0.6
643.31635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09016	0.6
59.01375	4.3
61.98829	1.3
67.95391	0.6
70.27634	0.8
70.27955	0.9
71.01365	3.4
72.46413	0.5
73.03008	0.7
80.02662	1.4
81.03460	1.7
81.71874	0.6
83.01387	0.6
83.05016	4.9
84.02146	1.1
85.02954	1.2
87.00863	0.8
89.02450	2.0
95.05003	0.7
101.02453	2.9
101.16045	0.5
102.52160	0.6
113.02448	1.4
116.07011	0.5
133.04207	0.6
135.08127	0.9
153.12790	1.1
161.04541	0.7
163.11250	4.7
165.12804	2.1
169.12320	5.1
171.10323	0.9
181.12279	0.7
191.10764	1.1
197.11823	84.1
198.12135	3.2
199.13419	1.1
201.11305	1.2
203.32635	0.6
209.11824	100.0
210.12201	4.0
211.13469	0.9
223.13370	1.1
226.72679	0.5
227.12888	17.4
228.13158	0.8
235.08232	3.0
253.09273	9.4
371.22171	0.7
389.23337	0.7
433.20572	3.2
434.21426	0.7
445.20734	2.3
458.16760	0.6
479.49158	0.6
607.31531	1.1
609.87915	0.6
625.32166	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	643.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67643	1.5
57.03439	1.4
59.01387	8.8
59.02483	1.3
61.98822	2.8
71.01381	4.9
73.02945	1.4
87.00914	1.5
89.02425	3.8
97.06596	2.4
98.21888	4.8
99.94524	1.3
101.02452	4.2
113.02386	2.3
119.03574	1.6
151.11295	13.8
161.04504	1.8
169.12337	94.8
170.12660	3.0
171.10225	7.8
183.13843	4.2
193.12323	1.5
211.13379	47.5
212.13715	4.5
213.11320	12.6
213.13307	1.9
213.14035	2.0
253.09219	3.5
431.19354	2.8
449.19897	8.3
469.79010	1.7
583.53540	1.7
643.33301	100.0
644.33594	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	645.1095
Annotation	3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.84402	0.8
66.27675	0.6
69.03457	0.8
69.40767	3.0
69.41172	1.6
80.48121	0.8
81.03445	1.2
95.01359	1.9
97.02910	1.5
107.01365	3.5
108.21701	0.8
109.02926	1.7
111.00861	0.9
117.03423	1.5
121.02921	1.1
123.00867	4.2
124.00848	1.0
124.01669	19.1
125.02446	29.4
127.00340	1.1
133.02914	1.6
135.04503	2.1
137.02417	2.6
138.03185	1.3
139.00316	1.2
139.04016	4.5
145.02913	2.4
147.04448	0.7
148.01619	1.3
149.02391	1.7
159.04518	1.2
161.02441	7.6
161.62343	0.9
162.03223	4.7
163.04007	2.9
164.01141	2.7
165.01930	4.3
166.99823	2.0
168.00633	17.2
169.01421	19.6
172.23593	0.8
173.02393	2.5
174.03203	0.9
177.01888	2.5
178.02769	0.9
179.03369	0.8
183.02975	14.5
187.04005	1.0
189.01964	4.2
190.02699	11.8
191.03520	5.3
192.00618	16.9
193.01395	12.8
194.02113	1.1
205.01381	6.8
205.04993	1.6
206.02145	8.8
207.02962	21.1
210.01646	1.0
211.02452	8.7
219.02899	1.5
220.03680	1.2
221.00958	0.9
221.04544	1.2
222.01707	1.0
223.79935	0.8
225.03989	2.8
233.00990	1.6
233.04539	1.3
234.01659	20.3
235.02441	18.7
239.93153	0.7
245.00786	1.2
246.01605	2.1
249.04028	6.7
259.02246	1.1
276.02823	1.3
277.03433	1.2
294.03876	1.9
295.04504	2.0
309.06186	2.6
369.96851	0.9
461.07159	3.5
475.08990	1.3
479.08420	1.8
493.10303	1.9
630.09076	1.4
645.10907	100.0
646.11121	8.4
662.69830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19628	1.1
59.01375	7.2
61.98813	2.3
65.00324	1.3
65.65386	0.9
67.01901	1.1
69.03455	1.8
71.01375	1.3
71.45703	0.9
79.01879	2.1
83.01380	1.1
86.27698	1.4
89.02411	1.9
95.01377	10.6
96.96021	1.6
97.02966	2.0
101.02471	1.3
107.01379	5.6
108.02230	1.6
109.02927	1.8
111.00867	3.5
123.00886	38.0
124.00836	1.8
124.01670	25.1
125.02441	33.7
127.00333	1.8
135.04536	1.3
136.98836	2.1
137.02425	3.9
138.03137	1.6
139.00395	4.9
139.04030	6.7
140.01149	4.3
141.01755	4.9
149.02435	1.8
152.01132	1.4
155.03458	0.9
161.02460	5.1
162.03220	3.2
163.04065	1.3
164.01137	2.1
165.01900	2.9
166.99850	27.5
167.03526	1.2
168.00636	20.7
169.01419	39.0
173.02402	1.5
177.01898	1.9
179.03508	1.1
181.01414	3.3
183.02983	21.4
183.04515	0.7
189.01859	2.2
190.02682	7.7
191.03427	1.7
192.00647	23.2
193.01396	18.3
194.02162	1.6
203.03583	1.1
205.01460	3.7
205.04956	1.1
206.02219	3.9
207.03006	7.8
211.02525	5.0
217.01343	4.0
218.02147	1.5
219.02966	2.5
220.03802	2.4
221.00885	1.1
231.02919	2.8
232.03593	1.7
233.04424	1.2
234.01686	16.7
235.02338	1.9
245.00981	1.7
245.14989	1.1
246.01662	11.1
247.02435	3.5
249.04053	16.0
258.01651	1.3
259.02417	1.4
260.03204	3.3
261.03976	1.5
262.04660	1.0
271.04514	1.0
276.02689	6.1
277.03479	2.3
278.04276	7.4
291.05112	4.4
292.05594	1.2
293.06607	5.2
294.03793	2.5
298.98294	1.8
309.06131	2.3
312.04935	2.5
313.05722	1.3
314.16589	1.2
327.07129	1.3
331.04788	1.3
401.05084	9.0
461.07428	2.0
475.08722	1.2
479.08295	33.4
480.08646	1.4
493.09991	5.7
645.10956	100.0
646.11176	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	645.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41503	0.5
59.01377	1.0
61.98825	1.2
66.08826	0.6
67.01895	0.7
69.31358	1.0
69.31750	1.9
69.35770	0.6
70.82657	0.5
71.01368	1.0
89.76631	0.7
93.03467	1.3
95.01381	1.4
96.99173	0.6
97.28860	0.6
98.21821	1.0
101.02464	1.6
106.16904	0.5
107.01398	4.1
108.02193	1.6
109.02966	3.9
110.00098	0.6
111.00854	1.7
117.03465	0.8
119.05001	0.9
121.02943	2.5
123.00872	5.5
124.01667	10.6
125.02448	15.2
133.02930	0.9
135.04530	1.3
136.98772	1.3
137.02469	3.9
138.03203	1.7
138.82190	0.6
139.00351	1.7
139.04005	4.2
140.01122	2.2
141.01938	0.8
145.02948	1.8
148.01691	0.7
149.02414	3.0
151.00325	0.6
151.03986	1.1
153.01816	0.7
154.79126	0.6
161.02432	4.3
162.03204	2.8
163.00348	0.8
163.03976	2.2
164.01160	3.6
165.01952	5.7
166.02724	0.8
166.99840	3.2
167.03496	2.0
167.71297	0.5
168.00636	12.0
169.01418	12.1
170.86002	0.5
173.02386	2.0
177.01959	1.6
179.03430	1.0
181.01462	1.5
182.02173	1.0
183.02988	11.5
189.01942	3.1
190.02728	5.0
191.03520	2.8
192.00647	35.0
193.01401	33.1
194.02100	1.7
203.03506	0.8
205.01459	4.5
206.02171	3.8
207.02960	16.9
211.02487	11.2
215.03471	0.9
219.02916	1.2
221.00864	1.9
225.03995	2.2
233.00964	1.3
234.01665	12.6
235.02472	12.8
236.02841	0.7
242.02220	1.0
247.02402	1.1
249.04041	4.7
253.03522	0.9
258.01678	0.9
260.03186	0.7
271.04608	0.8
276.02750	1.6
277.03534	0.7
291.05139	0.7
294.03873	1.1
309.06039	1.0
341.06638	0.8
391.26889	1.7
393.06128	2.5
437.07095	2.8
461.07260	2.6
479.08151	2.6
493.09912	3.9
503.09897	1.8
613.12598	0.8
630.09045	1.2
645.10907	100.0
646.11316	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	645.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
67.01859	0.2
69.11464	1.5
71.01369	0.5
72.24323	0.2
74.71660	0.2
76.25304	0.2
83.04996	0.3
85.02948	5.7
87.00880	1.2
93.03448	2.2
98.21886	0.5
109.02921	0.4
111.04496	0.5
127.04025	1.4
133.02968	0.3
135.04543	0.9
140.93358	0.2
161.02422	1.5
171.03006	0.4
173.04539	1.0
179.03481	0.8
191.05602	100.0
192.05901	2.0
353.08734	15.3
354.08740	0.6
604.45544	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	645.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98693	0.2
59.01367	1.2
67.01875	0.3
67.72453	0.2
70.64801	0.5
71.01378	0.5
85.02946	5.2
87.00883	1.4
93.03453	1.6
94.79307	0.3
109.02932	0.5
111.04510	0.7
127.03992	1.7
131.09184	0.3
135.04512	0.8
155.03468	0.3
161.02472	1.6
171.03004	0.3
173.04539	1.3
174.07336	0.3
179.03514	0.8
191.05603	100.0
192.05913	2.7
285.58218	0.2
353.08749	14.8
354.08987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.71227	0.2
59.01377	10.2
61.98831	1.0
69.31397	1.2
71.01376	3.0
73.02925	0.4
80.02672	1.4
80.56605	0.3
81.03450	1.8
83.01396	1.1
83.05022	13.8
84.02174	1.0
85.02968	1.1
85.04951	0.2
87.00877	0.4
89.02441	2.2
89.52052	0.2
93.03459	0.4
95.05032	0.9
96.95987	0.4
97.06598	1.0
101.02447	2.5
105.22525	0.2
109.06577	1.5
113.02464	1.3
116.92921	0.3
119.03578	0.4
119.08607	0.3
125.02502	0.5
125.06094	0.7
125.09714	0.5
127.11311	0.3
135.08163	3.8
137.09732	1.2
143.03575	0.4
143.07155	0.8
145.05051	0.4
153.09160	0.3
157.08682	0.2
161.04564	1.2
163.07655	0.8
163.11282	3.8
165.12817	2.1
168.00566	0.4
169.01332	0.3
171.10280	1.5
175.08852	0.2
179.05649	0.3
181.08702	42.6
181.12216	0.8
182.09027	1.3
183.10237	0.5
185.11836	0.3
191.10797	1.0
199.09776	4.7
199.13307	0.4
209.11821	100.0
210.12146	3.6
219.10326	0.5
225.11359	0.4
227.12880	13.0
228.13174	0.4
235.08212	1.8
247.13434	0.6
253.09282	8.8
289.84818	0.2
320.56674	0.3
408.13809	0.3
445.20737	1.2
482.86993	0.3
609.29108	0.9
627.30048	0.6
629.83307	0.3
645.11603	0.5
645.31641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03449	0.3
59.01377	9.4
59.13887	0.2
61.98547	0.2
61.98820	0.9
69.03449	0.2
71.01379	2.7
71.05022	0.3
73.02950	0.7
80.02681	1.4
81.03458	1.9
83.01390	1.2
83.05023	13.3
84.02166	1.2
84.05374	0.2
85.02946	0.7
87.00874	0.6
89.02441	1.7
89.02934	0.2
91.04079	0.1
93.03461	0.3
95.01382	0.3
95.05025	1.0
95.96242	0.1
97.06579	0.9
98.21848	0.3
98.83453	0.1
101.02438	2.7
107.05040	0.3
109.06592	1.6
111.08154	0.2
113.02460	1.5
119.03502	0.5
125.02440	0.4
125.06078	0.6
125.09713	0.3
129.20135	0.2
135.08168	3.4
136.08487	0.2
137.09711	1.2
143.03502	0.2
143.07111	0.9
147.11795	0.3
149.09761	0.3
153.09108	0.2
161.04617	0.9
163.07637	0.7
163.11298	3.6
165.12845	2.1
168.00662	0.2
171.10262	1.6
179.05611	0.4
181.08701	41.2
182.09021	1.7
185.11897	0.2
191.10751	0.9
193.08669	0.2
199.09766	4.0
199.13113	0.2
209.11819	100.0
210.12144	3.9
211.02458	0.3
216.17654	0.2
219.10260	0.6
221.11708	0.3
227.12875	12.5
228.13152	0.5
235.08177	2.1
247.13466	0.8
253.09259	9.8
254.09671	0.4
265.14496	0.3
391.21234	0.2
409.22281	0.3
417.17459	0.3
445.20880	0.7
609.29028	0.7
627.30072	0.5
627.84308	0.2
645.11285	0.2
645.30841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85621	0.1
54.21429	0.1
59.01371	0.2
60.40692	0.1
61.98828	100.0
62.49230	0.1
62.98537	0.1
70.27566	0.1
71.01389	0.2
162.14178	0.1
209.11859	0.3
211.13327	0.1
212.13701	0.1
303.47983	0.1
307.07941	0.1
513.67291	0.1
663.95715	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	647.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13111	0.5
59.01368	1.6
70.08480	0.9
70.08810	1.3
70.31367	0.6
71.01381	2.9
85.02955	3.9
93.03452	2.1
108.02175	1.4
109.02937	1.3
118.96615	2.5
123.00927	0.7
125.02431	1.1
127.04042	0.7
132.98196	1.8
134.03714	1.0
135.04547	0.7
152.01111	0.8
156.98160	1.9
160.97643	1.7
161.02477	0.8
164.01187	1.5
168.98193	1.7
169.01425	2.0
170.99754	2.6
182.99748	2.0
189.05435	0.7
190.02786	0.7
190.99863	1.7
191.05608	52.0
192.00636	29.6
192.05917	17.1
193.01389	2.3
193.06140	10.2
198.99219	2.1
205.01265	0.9
206.01991	0.9
207.02985	12.5
208.03224	1.1
210.99225	2.8
232.97699	0.8
234.01677	1.9
247.96378	16.0
248.97137	4.5
249.04109	0.9
259.01324	4.4
261.97882	1.4
262.95020	1.6
263.95792	8.0
275.95770	1.7
276.96564	0.9
279.95404	1.2
287.99680	1.0
289.97427	63.7
290.97992	6.7
293.97031	1.7
300.99780	2.1
301.97400	5.1
302.98093	1.5
303.98868	0.9
304.99780	2.1
305.96915	1.1
315.07162	1.8
315.99066	1.5
317.96741	1.1
319.98776	0.8
320.99387	1.0
321.96387	3.4
323.00812	6.5
327.07111	1.0
331.01370	1.0
331.06674	1.8
331.98364	4.6
332.98999	0.6
335.00781	1.0
335.97885	0.9
336.98718	0.8
343.98331	1.8
347.01065	3.3
353.08722	4.8
354.09302	3.3
355.09296	3.0
359.00809	0.8
365.01813	7.0
369.08228	0.8
377.01862	1.5
407.02896	12.3
408.03271	1.2
410.01831	0.7
425.03949	15.0
426.04379	1.0
435.02267	1.8
467.05020	100.0
468.05414	5.5
501.48987	0.8
587.09796	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	647.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50283	0.2
57.03456	0.2
59.01125	0.2
59.01373	1.1
61.69944	0.1
67.01879	0.3
67.43582	0.1
69.03458	0.2
69.28534	0.4
69.28922	0.4
71.01382	0.8
73.02950	0.1
81.03446	0.2
85.02948	5.6
85.03466	0.3
87.00878	1.1
93.03457	2.0
97.97818	0.1
99.04498	0.3
101.02472	0.2
109.02961	0.4
111.04504	0.9
113.02451	0.2
123.00848	0.2
125.02419	0.2
127.04003	1.4
131.07153	0.7
133.02965	0.4
135.04523	0.9
137.02448	0.2
161.02449	1.4
171.02942	0.3
173.04550	0.9
179.03494	0.8
191.05606	100.0
192.05969	2.1
212.57492	0.2
212.77530	0.2
293.06870	0.2
293.12564	1.3
300.99759	0.5
327.07257	0.3
353.08746	15.9
354.09183	0.7
380.46271	0.2
458.75201	0.1
503.94681	0.2
529.08270	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	649.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08736	6.4
76.08305	1.3
77.84027	1.3
91.79095	1.4
95.01432	1.9
100.79784	1.3
116.04566	1.5
122.18518	1.6
129.10677	1.3
145.02954	4.1
157.02940	1.9
159.04471	1.4
161.02446	3.0
164.49727	1.3
172.01576	1.7
173.02437	3.4
175.03885	2.6
185.02464	2.6
189.01964	4.1
190.02644	4.2
191.03564	2.9
191.05611	9.8
200.01115	4.2
201.01840	7.1
203.03578	6.7
213.01939	1.5
216.00528	1.6
217.01405	4.8
218.02069	2.8
227.00089	1.5
228.00684	1.8
229.01384	12.4
230.02019	2.8
231.02940	5.3
242.99364	3.3
244.00066	2.4
245.00929	7.9
247.02417	7.0
249.04028	2.9
257.00931	10.8
258.01602	2.9
259.02356	1.3
270.98816	9.8
271.99283	1.6
273.00430	13.9
274.01266	14.7
275.01959	48.1
276.02328	2.1
283.99493	3.9
285.00400	3.9
298.98322	25.4
299.99088	45.5
300.99872	100.0
302.00262	5.5
304.46338	1.5
314.46814	1.4
316.99475	1.6
399.03467	2.6
419.02335	2.2
420.03625	1.3
421.03860	2.8
425.01501	13.3
435.05325	1.6
451.05225	3.1
461.03299	3.2
471.06924	1.5
479.04584	33.6
480.05414	26.4
481.06168	36.2
482.06500	2.2
545.05719	3.6
605.07782	66.4
606.08167	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	649.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66415	0.4
53.00298	0.5
69.03445	1.1
69.45119	1.7
71.01376	3.5
79.01900	0.5
81.03473	1.4
83.01399	0.5
95.01364	0.9
97.02973	2.3
107.01386	8.0
113.02452	0.9
121.02995	0.4
123.00871	4.3
124.01662	8.4
125.02446	63.7
126.02814	0.9
127.00394	0.5
137.02480	0.6
138.03308	0.7
139.00378	1.3
139.04018	7.1
140.01147	1.0
141.01875	0.8
151.00400	1.5
163.04056	0.4
165.01927	0.8
166.99854	0.9
167.03471	0.7
168.00635	7.3
169.01427	100.0
170.01767	2.4
179.03575	0.5
181.01376	0.7
182.71201	0.4
183.02979	23.9
191.03629	0.4
192.00484	0.5
193.01480	2.1
211.02457	2.9
225.04068	1.1
237.04010	0.7
255.05367	0.4
295.04626	0.5
303.18842	0.4
313.05713	2.3
327.07275	4.1
437.07529	0.6
465.06702	2.8
479.08295	54.2
480.08603	3.8
497.09344	2.3
649.10284	6.2
650.10883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.6
67.01906	0.7
69.03460	0.6
69.33646	2.8
71.01375	5.0
71.65561	0.5
79.72874	0.4
81.03452	1.3
82.74501	0.4
83.01311	0.5
85.02975	0.7
85.88139	0.5
86.30639	0.5
95.01396	2.3
97.02982	1.5
101.02459	1.2
105.18383	0.5
107.01398	10.7
110.67877	0.5
111.00906	1.4
113.02440	1.4
121.02969	0.7
123.00887	9.8
124.01663	10.5
125.02446	41.6
126.02754	0.7
136.98770	0.7
137.02495	1.0
138.03224	2.5
139.00397	1.8
139.03999	6.5
140.01143	1.0
141.01949	1.3
149.02458	1.1
151.00377	5.1
152.01282	0.6
153.01996	0.7
165.02007	0.8
166.99883	2.4
168.00633	9.4
169.01422	54.1
170.01762	1.2
178.02660	0.5
179.03534	0.8
181.01497	0.5
182.02232	1.0
182.54329	0.5
183.02974	22.6
184.03351	0.6
190.70056	0.6
192.00694	1.2
193.01440	1.9
207.02998	0.9
211.02437	6.5
223.02531	1.3
225.04037	1.5
253.03458	1.0
271.04694	2.2
295.04602	3.4
297.06168	3.7
312.04794	1.4
313.05655	14.0
327.07211	2.4
465.06680	14.5
466.07019	1.1
471.65796	0.7
479.08289	100.0
480.08643	7.4
497.09381	3.4
649.10437	19.5
650.11035	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	649.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59120	1.4
59.01379	2.8
66.86910	1.5
69.33172	5.7
95.01424	1.5
107.01383	4.8
123.00887	3.0
124.01655	22.4
125.02442	44.7
136.01637	3.2
136.98854	1.5
137.02478	2.3
138.03209	7.5
140.01189	3.3
145.20529	1.8
148.01662	4.7
152.01163	7.0
164.01169	3.2
165.01881	2.8
166.02742	4.7
167.03441	3.1
168.00656	14.1
169.01413	63.9
178.02684	1.9
180.00655	20.9
183.02948	4.3
192.00653	43.0
193.01404	36.2
194.99335	6.8
195.02950	4.4
196.03775	3.9
205.01276	1.8
206.02304	2.5
207.02979	17.0
210.01624	1.9
211.02461	58.0
222.01588	1.8
225.04121	4.5
234.01711	1.7
235.02370	2.3
237.03929	3.7
241.03615	5.2
242.94360	1.9
249.04015	2.7
255.05113	4.9
271.04581	99.6
272.04919	4.6
301.05518	1.9
312.04861	3.0
327.07217	5.6
330.05872	4.6
345.08221	29.4
346.08914	1.9
465.06653	3.2
479.08304	70.1
480.08575	5.6
497.09348	100.0
498.09518	6.9
634.88989	1.8
649.10236	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	649.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41887	0.9
57.03453	2.0
59.01378	2.7
61.17890	1.0
61.98817	1.1
67.01871	0.9
69.03439	1.9
71.01392	2.6
80.31454	0.9
81.03456	2.6
83.01379	3.8
85.02914	1.2
85.39078	0.9
89.02463	1.7
93.03450	1.7
95.01388	2.2
95.05013	2.1
96.95966	0.9
97.02958	6.1
99.04499	1.2
101.02457	2.2
107.01379	1.7
108.02202	1.4
109.02949	37.6
119.05001	1.7
121.02954	3.5
123.00871	1.5
123.04520	12.4
124.01671	20.8
125.02439	36.5
126.02771	1.3
133.02927	6.7
134.03706	1.1
135.04518	5.2
137.02446	14.0
139.03993	7.4
145.02934	7.1
146.03622	2.0
147.04478	1.2
149.02431	5.3
151.03993	7.6
154.43280	1.1
159.04533	5.6
160.05217	1.2
161.02448	3.7
161.06056	5.1
162.03168	1.1
164.01141	3.0
165.01935	6.8
165.05600	1.9
167.03474	3.0
168.00635	17.8
169.01414	17.7
172.41307	1.0
175.03912	2.1
177.01932	46.2
179.03502	6.8
183.02974	45.9
184.03377	2.3
185.06091	3.1
187.04002	8.0
188.04692	3.5
189.01926	9.1
190.02658	1.8
190.06331	0.9
191.03514	2.6
193.05070	9.2
199.04005	1.7
200.89880	1.0
201.01920	1.7
202.06427	1.6
203.07155	12.8
205.05040	6.7
209.04501	9.4
211.04123	1.3
216.00748	1.3
217.01472	6.2
219.02945	1.4
221.04517	1.9
221.08165	2.7
225.05569	1.5
227.07176	2.3
229.05049	1.3
231.03033	2.8
237.05664	1.6
245.08167	18.1
246.08615	1.6
247.06107	1.8
251.07211	1.0
253.05074	2.0
255.02983	2.7
257.04559	1.2
269.04434	1.4
271.06131	13.1
279.06635	2.2
281.04550	3.7
287.05719	1.4
289.07162	100.0
290.07541	5.2
297.04065	3.4
297.07483	2.3
305.06693	2.3
313.06131	1.0
314.04276	1.4
323.05563	11.5
329.06543	4.0
331.08240	3.0
341.06619	18.5
341.10391	1.8
355.08218	44.8
356.08582	3.0
357.06235	1.2
373.09293	9.6
425.24329	1.2
451.10413	10.5
452.10522	1.6
455.09775	7.1
465.11929	13.4
467.09946	1.8
479.07877	1.2
483.13028	16.7
484.13620	1.5
497.14417	2.1
499.12589	1.1
521.95313	1.0
617.12848	3.4
649.15674	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	649.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18074	27.9
66.64517	29.0
78.95962	26.1
79.46478	22.6
83.75034	25.6
86.66464	24.5
169.01573	28.5
183.10246	77.0
209.35014	23.7
211.13393	100.0
255.66913	26.0
433.98972	27.4
534.27490	28.4
649.30457	63.4
664.57452	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76812	0.8
59.01374	3.0
61.98831	12.3
66.90843	0.8
67.11212	1.0
69.10252	3.3
69.10667	2.4
71.01376	4.3
71.31458	0.8
79.01906	1.3
82.95398	1.4
85.02945	1.5
95.01355	2.0
96.96014	1.1
97.02953	1.6
97.51822	0.8
107.01382	6.9
108.02154	3.6
109.02944	3.6
111.00868	2.8
113.02450	0.9
123.00896	8.9
124.01675	13.3
125.02448	25.6
126.02766	1.0
127.00313	1.2
136.23907	1.0
136.98795	1.9
137.02417	1.2
139.00395	1.8
139.04002	6.6
140.01114	2.8
141.01956	1.2
143.03455	1.0
151.00351	3.7
161.00481	1.0
161.02434	1.0
165.01952	1.0
166.99785	2.9
168.00629	16.4
169.01430	34.9
170.01802	1.0
183.02971	20.7
187.02679	0.9
191.05505	1.0
193.01329	1.4
211.02440	1.9
225.03955	1.3
237.04094	1.1
267.04846	0.9
295.04819	4.2
297.06293	4.4
300.99915	1.7
312.04993	1.4
313.05658	4.9
327.07239	2.9
405.08160	3.9
436.49826	1.0
437.10773	1.6
465.06570	3.1
479.08249	10.3
589.11957	100.0
590.12268	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	653.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
59.15956	1.7
70.11761	1.8
71.01370	3.8
93.03458	3.8
93.32266	1.6
95.01373	3.6
95.08541	1.5
101.02428	1.9
109.02958	2.2
113.02406	2.8
115.04059	1.5
119.05018	4.8
121.02840	2.3
123.00865	5.3
124.01648	7.9
125.02455	24.1
137.02431	5.6
140.01152	2.4
142.23029	1.6
142.29977	1.5
153.98508	1.6
161.02457	6.2
162.03233	2.0
163.03937	2.1
165.01892	3.7
166.99843	3.3
168.00635	10.8
169.01408	22.1
171.04491	1.8
172.66106	1.7
177.01906	4.8
189.01883	3.2
190.02695	4.9
190.99780	3.1
191.03447	3.3
192.00676	11.5
193.01437	15.3
200.20654	2.0
203.03497	2.2
205.01390	5.1
206.02208	3.1
207.02980	10.6
209.04710	1.9
211.02469	28.6
214.17812	2.0
219.02968	1.7
223.02560	1.7
233.00908	5.2
234.01601	11.4
235.02466	9.6
248.02986	2.7
249.03830	2.3
271.04678	4.1
312.04999	1.7
341.51004	1.7
445.03802	2.9
453.17224	3.3
468.03094	3.8
486.04233	5.8
491.28461	3.5
501.06540	4.3
638.05139	5.6
652.34521	3.0
653.07599	100.0
653.34186	6.7
654.07916	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	653.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75198	0.2
57.03463	0.3
59.01377	1.7
59.62409	0.2
63.73645	0.2
64.25463	0.2
71.01369	0.9
73.02950	0.2
81.03443	0.4
85.02953	6.4
87.00865	1.4
89.02407	0.3
93.03460	2.3
99.04537	0.2
109.02969	0.4
111.04515	1.0
125.02431	0.6
127.04021	2.5
158.09407	0.2
169.01414	1.9
171.03024	0.6
173.04561	1.0
191.05615	100.0
192.05998	2.6
304.10846	0.2
309.11948	0.6
311.12582	0.3
327.90433	0.2
343.06686	45.0
344.07059	2.0
402.93283	0.2
503.23608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00762	3.7
59.01375	13.6
61.43564	3.1
61.98824	7.8
71.01347	8.2
73.02908	4.7
83.05027	4.8
85.02937	3.6
89.02481	4.1
101.02458	4.7
109.06599	7.2
121.06625	3.3
125.09723	8.3
133.63756	3.1
145.05017	3.3
163.11266	10.4
165.12842	3.5
171.10271	68.6
177.42671	3.1
185.11815	7.1
190.78827	2.9
207.10252	25.9
209.11823	100.0
210.12096	4.3
225.11327	11.7
227.12833	17.5
235.08235	6.4
247.13387	5.8
253.09305	8.4
267.16354	3.2
373.44806	3.2
399.21921	4.5
403.35330	3.9
407.19174	4.8
417.22775	9.4
445.21017	10.1
635.30585	19.3
653.30969	77.2
664.78113	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	653.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	13.6
61.63382	8.3
61.98823	16.8
69.94614	7.9
70.58965	17.0
81.10747	8.1
84.37901	8.5
85.02964	10.4
86.39143	8.7
171.10236	100.0
209.11833	91.9
227.12932	19.8
407.19141	10.8
433.07953	13.4
464.02267	8.6
491.33618	10.6
653.29565	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11002	0.6
68.14459	0.6
69.94942	1.4
69.95311	1.3
98.22633	0.8
100.31126	0.7
116.03008	0.6
125.02455	1.9
136.01654	1.1
138.03282	1.3
145.57860	0.7
150.03307	0.9
152.01137	1.1
161.02454	3.0
162.03201	2.8
164.01157	5.0
166.02731	3.2
177.01949	2.0
178.02711	2.4
178.99919	0.7
180.00699	0.7
186.60745	1.0
190.02715	6.3
191.05655	1.5
192.00638	67.7
193.01385	16.9
194.02197	18.1
205.01390	4.9
206.02167	6.2
207.02979	38.3
208.03369	1.4
209.04506	1.7
221.00960	2.3
222.01666	5.8
232.03888	0.8
233.00940	0.9
234.01683	22.6
237.03993	4.8
249.04079	11.2
289.16241	0.6
293.72052	0.6
312.04871	19.2
327.07199	100.0
328.07535	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	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75699	0.3
56.10162	0.3
57.03445	0.6
59.01375	5.4
61.98817	0.6
69.91174	0.5
71.01380	4.1
71.64473	0.3
73.02937	0.9
80.02673	1.2
81.03455	1.2
83.01369	0.6
83.05032	4.5
84.02172	0.3
85.02937	1.2
87.00864	1.1
89.02452	2.3
95.05014	0.9
97.02945	0.9
97.06573	0.5
99.00867	0.3
101.02436	2.6
106.04253	0.4
109.06586	4.2
109.86568	0.3
113.02449	2.1
119.03523	0.7
123.08184	0.5
125.02436	0.5
125.06078	0.5
125.08942	0.3
125.09710	1.8
135.08167	1.5
143.03497	0.3
145.05060	0.8
150.06854	4.2
160.30809	0.3
161.04546	1.0
161.09581	0.7
163.07642	1.2
163.11288	5.2
164.08420	0.8
165.12833	2.0
171.10239	2.2
179.05702	0.5
179.10794	2.8
181.12323	1.0
183.13905	1.1
185.11829	2.2
189.12801	0.3
191.10770	0.5
193.12401	0.4
203.14377	0.3
205.12302	0.4
207.10266	7.5
209.11818	100.0
210.12123	3.0
211.11360	0.6
211.13390	12.5
221.15437	0.7
223.13432	0.4
225.11322	4.0
227.12869	5.3
228.13063	0.3
231.13870	0.6
233.11780	0.8
235.08214	2.4
247.13358	1.7
249.14941	1.2
251.12735	0.7
253.09261	6.3
265.14386	0.6
321.22333	0.6
335.22195	0.4
339.23312	1.4
357.24265	0.8
365.21329	0.4
373.23801	1.3
375.21564	0.3
383.22247	5.1
384.22861	0.4
391.24789	1.1
401.23309	8.2
402.23596	0.6
419.24445	3.9
445.20712	2.2
447.22372	0.6
461.20322	0.9
478.32959	0.5
492.34534	0.4
493.28299	0.5
493.35339	8.7
609.33057	0.9
611.30835	0.9
619.31097	2.2
637.32294	17.5
638.32214	1.8
655.32983	5.8
656.33752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
58.39927	0.9
59.01378	21.8
61.98808	2.4
69.03430	2.7
70.17842	1.0
71.01373	12.2
72.99286	1.7
73.02925	3.1
75.97854	1.1
80.02652	1.3
81.03458	2.3
83.01373	2.8
83.05009	4.3
85.02943	4.6
87.00871	5.4
89.02442	8.6
95.01369	1.4
95.05019	2.4
97.02955	5.3
97.06605	2.1
99.00888	2.8
101.02434	12.8
106.04238	1.1
107.05041	2.0
108.02200	1.2
109.02923	1.3
109.06594	25.2
110.03727	2.2
113.02454	7.0
119.03484	2.2
121.06577	2.3
125.09739	6.1
135.08144	3.1
136.05243	1.7
142.02638	0.9
143.23950	0.9
144.11183	1.0
145.05017	2.8
161.04536	4.2
161.09669	1.3
163.07637	1.9
163.11281	12.7
165.12740	1.1
171.10237	6.4
177.09094	0.9
179.05534	1.2
179.10776	1.8
181.12331	3.3
183.13914	10.5
185.11815	15.0
187.09770	1.4
189.09160	2.1
193.12271	3.4
199.19313	0.9
203.14365	1.4
205.12251	2.7
207.10252	50.8
208.10539	2.4
209.11823	8.5
211.13390	100.0
212.13702	3.7
221.15497	5.2
223.13399	2.9
225.11302	29.4
227.12839	1.2
231.13754	1.7
233.11842	3.4
235.08165	6.4
237.14900	1.4
247.13388	4.5
249.14919	3.4
250.76669	1.2
251.12860	4.0
253.09317	9.3
263.16498	1.2
275.16486	1.5
311.23880	1.8
329.24719	2.7
339.23224	8.1
355.22720	3.5
357.24274	3.5
365.21469	1.9
373.23871	8.6
375.21558	1.6
375.25577	1.2
383.22256	19.4
391.24774	7.5
393.22327	1.3
401.23306	39.3
402.23621	2.3
419.24347	16.2
443.19086	3.8
447.22168	2.9
461.20349	7.3
475.27042	1.9
493.27957	1.7
493.35037	4.6
503.36646	1.0
593.30804	1.0
609.32593	9.5
611.30865	1.7
619.31274	8.4
627.33722	2.9
637.32269	86.2
638.32233	7.0
655.22192	2.1
655.33221	36.5
656.33508	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01376	18.6
61.98820	1.6
69.03445	1.3
71.01375	9.7
71.06747	1.1
73.02934	2.4
80.02660	1.5
81.03454	3.6
83.01408	1.7
83.05035	3.4
85.02938	2.5
87.00837	3.4
89.02442	6.1
92.50231	0.6
93.03426	0.6
95.01380	1.1
95.05015	1.7
97.02953	7.7
97.06578	1.0
99.00894	1.7
99.69319	0.8
101.02450	7.9
107.05059	0.9
109.06585	30.2
110.03711	2.4
111.04547	0.8
113.02470	3.7
116.24868	0.7
119.03497	1.4
119.04349	0.6
121.06591	2.1
123.08165	1.0
125.02465	0.9
125.09718	2.4
135.08192	3.7
136.05319	1.4
142.02719	1.2
143.03493	1.1
145.05090	1.7
159.02965	0.7
161.04539	3.1
161.09726	2.2
163.09996	1.3
163.11287	17.6
165.09280	0.7
165.12827	1.0
167.14415	1.2
171.10246	3.2
179.10803	1.3
181.12331	6.0
183.13879	7.2
185.11803	5.9
189.09160	2.1
193.12288	1.6
199.84138	0.8
203.14362	0.8
205.12326	0.8
207.10255	87.1
208.10577	2.2
209.11809	9.2
211.13382	100.0
212.13763	2.5
221.15385	1.4
225.11311	45.9
226.11697	1.5
227.12872	1.5
231.13722	1.1
235.08304	4.6
247.13397	1.7
249.15004	1.1
251.12904	2.4
253.09290	11.3
263.16452	1.2
275.16589	0.7
281.13922	1.0
299.14923	1.9
329.24936	1.7
339.23022	3.3
355.22754	1.7
357.24313	2.6
365.21109	0.9
373.23834	6.2
375.25473	1.6
383.22299	9.8
384.23083	0.7
391.24878	4.4
392.25345	0.8
401.23273	19.5
419.24301	7.4
443.19144	5.9
447.22311	3.5
448.22708	0.9
461.20273	14.8
475.26944	1.2
493.27954	1.1
516.55322	0.8
609.32648	5.1
610.33301	0.9
611.30664	0.9
619.31323	5.3
627.33856	0.9
637.32257	46.1
638.32501	4.8
655.33307	55.0
656.33868	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68602	1.4
57.03453	1.9
59.01384	22.4
59.82474	1.4
61.98827	3.0
71.01381	14.7
71.06921	1.7
73.02931	3.6
81.03437	1.8
83.05040	3.6
85.02937	3.7
87.00867	3.1
88.52827	1.7
89.02428	7.6
95.01399	2.1
95.05004	2.9
97.02938	5.5
97.06591	1.6
99.00874	2.7
101.02431	9.6
107.05041	2.2
109.06582	25.0
110.03732	2.6
111.00848	2.0
113.02482	7.5
121.06574	2.8
125.09721	3.7
126.18546	1.5
135.08183	3.7
159.08128	1.7
161.04581	4.1
161.09784	1.9
163.11302	11.2
171.10309	3.7
179.05539	1.6
181.12317	3.8
183.13884	8.7
185.11766	9.8
193.12236	2.6
205.12282	2.8
207.10262	57.7
208.10609	2.7
209.11816	17.5
211.13394	100.0
212.13762	4.9
221.15388	2.7
225.11324	38.0
231.99966	1.5
233.11867	1.9
235.08357	7.8
240.05055	1.6
247.13489	3.2
249.14957	3.5
251.12866	3.7
253.09335	10.4
266.23044	1.8
275.16309	1.7
329.24756	3.0
334.14569	1.5
339.23169	5.5
355.22760	2.7
357.24161	2.0
365.21326	2.2
373.24075	8.7
375.21646	2.4
383.22284	20.3
391.24817	6.6
401.18469	3.1
401.23303	34.1
419.24359	14.9
443.19266	5.2
447.22202	3.9
461.20557	8.4
493.28064	1.8
609.32471	8.2
619.30969	8.9
627.34113	1.7
637.32269	74.8
638.32593	8.0
655.33295	38.9
655.42712	2.4
656.34387	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	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23864	0.6
56.13407	0.7
61.98830	17.9
68.42054	0.7
69.43713	2.9
73.08051	0.5
75.15822	0.5
89.02451	0.7
95.61423	0.5
98.21918	1.3
107.01325	1.1
125.02446	1.0
143.56813	0.6
148.80899	0.6
151.00368	2.0
155.11983	0.7
163.00412	1.8
167.05005	0.8
185.06013	1.6
187.03960	1.8
191.05562	1.0
211.03955	1.4
213.05464	1.0
227.03481	16.3
229.05040	7.1
239.03438	0.8
240.04204	0.8
241.05022	1.1
255.02966	30.9
256.03641	3.5
257.04541	3.9
284.03256	49.7
285.04022	59.4
286.04379	2.6
358.38107	0.7
415.63474	0.7
593.15106	100.0
594.15576	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	656.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	14.5
69.40932	4.7
74.29404	1.0
78.95903	2.4
88.98714	1.0
97.20638	1.2
101.62395	1.1
103.05731	1.1
103.43672	1.0
127.63190	1.0
152.99501	1.3
176.41391	1.0
182.99028	1.1
183.47629	1.1
235.31607	1.4
266.92343	1.2
373.09647	2.1
510.84653	1.1
573.16388	2.7
593.36780	1.9
656.25061	100.0
657.25085	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.7
59.01378	89.0
63.79702	0.9
67.05518	2.6
70.63542	1.3
71.01380	48.4
72.99293	1.9
74.40218	0.9
83.01373	1.4
83.43580	0.8
85.02952	59.8
85.53223	0.9
87.00877	2.1
89.02443	65.5
92.60259	1.0
93.72057	0.9
95.01394	4.6
101.01783	2.0
101.02436	25.1
108.02175	18.1
109.03004	6.4
111.04471	1.7
113.02446	23.8
116.15235	1.0
119.03498	29.8
123.00855	0.9
129.05583	44.5
131.03482	3.4
133.02864	0.9
134.12999	1.0
143.03502	7.5
147.06670	1.8
149.04538	2.1
151.04074	1.0
151.99959	1.2
152.01146	15.7
153.01953	7.9
161.04570	9.1
167.18604	1.1
179.05611	51.2
180.05956	1.0
191.05618	4.6
199.03320	1.0
257.00812	1.0
309.11911	100.0
310.12122	2.7
315.07217	40.7
316.07632	2.1
347.07382	10.2
470.25644	1.0
477.13895	7.4
487.24969	1.0
657.20038	20.6
658.20337	1.5
689.22760	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	657.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
59.01376	32.1
61.89234	0.7
70.17786	0.8
71.01381	21.5
73.02928	4.9
83.01382	2.6
84.18300	0.7
85.02946	9.9
87.00884	1.1
89.02444	12.0
93.44427	0.7
95.01388	5.3
97.02931	1.4
97.66344	0.7
101.02444	11.0
105.82159	0.7
108.02176	19.1
109.02953	86.0
110.03260	1.6
113.02448	8.3
119.03499	4.6
123.00864	2.3
125.02434	2.1
135.04573	1.1
135.11798	13.7
151.04005	1.7
161.04564	7.1
161.09708	3.1
169.01443	1.4
177.86031	0.7
179.05650	0.8
179.10770	23.0
179.61203	0.7
180.11191	1.2
191.05685	1.8
192.00636	0.9
193.05049	0.8
223.09575	0.9
271.08273	1.4
323.14920	9.8
433.18805	2.0
477.17630	100.0
478.17892	8.2
479.08249	1.3
657.23853	21.0
657.33722	1.4
658.23468	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	657.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	0.5
59.01377	4.6
59.71015	0.5
61.98805	1.3
71.00089	0.7
71.01369	1.1
79.05503	0.7
83.05004	0.6
85.02943	0.6
95.90947	0.5
97.96156	0.4
101.02448	1.0
108.04527	0.6
113.02435	0.5
120.04530	2.1
121.05338	2.4
122.06114	7.2
125.02443	0.6
132.04642	0.7
134.06094	1.8
135.06917	1.2
135.08028	0.5
136.05342	0.6
136.07686	12.6
150.06848	2.6
152.07188	2.4
158.02464	0.6
161.04630	0.5
161.07239	1.0
163.07658	0.6
163.11284	0.9
168.00705	0.6
171.10318	1.0
171.11798	2.0
179.10741	1.4
183.13911	1.2
189.10262	0.5
190.05168	2.6
190.06612	0.5
191.05568	1.1
198.09250	1.6
199.10039	1.3
209.09798	0.8
209.11835	20.1
211.13400	27.3
214.12367	9.9
226.07486	0.8
227.08195	2.3
227.12874	4.0
228.09001	1.1
229.09790	4.5
230.11896	3.0
235.08240	1.0
241.09805	5.5
242.10591	15.6
249.14954	1.0
253.09395	2.9
256.12204	0.6
257.12952	78.3
258.13376	3.5
283.20334	0.5
300.11002	0.6
301.11929	100.0
302.12296	5.5
329.23392	0.7
355.13052	5.7
445.20135	0.5
447.22766	1.1
480.34796	0.7
495.36786	4.7
553.21735	0.6
621.34460	0.9
625.23364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.96786	0.2
57.61632	0.2
58.54903	0.2
59.01372	3.6
66.88412	0.2
69.03426	0.4
71.01379	2.7
71.05006	0.3
73.02938	0.6
80.02664	0.9
81.03442	1.0
83.01382	0.6
83.05019	4.3
84.02135	0.7
85.02946	0.7
87.00871	0.7
89.02428	1.9
93.03477	0.3
95.01361	0.3
95.05004	0.5
99.00874	0.2
101.02444	2.8
113.02434	1.3
119.03488	0.7
125.06049	0.3
125.09731	0.3
135.08202	0.4
143.03580	0.3
145.05072	0.4
161.04555	1.0
163.11275	3.6
165.12828	2.4
167.14360	0.3
171.10336	1.3
173.54343	0.2
179.05713	0.3
181.12320	0.6
183.12329	0.4
183.13890	6.3
191.10803	1.0
193.12331	1.7
199.13434	0.3
207.10092	0.3
209.11826	92.4
210.12189	3.1
211.13388	100.0
212.13719	3.1
223.04524	0.2
225.11195	0.2
227.12883	14.5
228.13222	0.4
231.37685	0.2
235.08206	3.3
249.15034	1.2
253.09279	9.1
373.69742	0.2
381.01367	0.3
403.24896	0.6
421.25677	0.4
429.21286	0.3
445.20844	1.5
447.22269	4.5
448.22638	0.3
621.32513	0.7
639.33295	1.0
657.34869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30195	0.2
55.01868	0.3
59.01377	3.7
69.03444	0.4
70.65363	0.4
71.01379	3.3
73.02940	0.7
80.02660	1.2
81.03461	1.2
83.01359	0.6
83.05023	4.9
84.02155	0.9
85.02940	0.7
87.00857	0.4
89.02429	2.1
95.01334	0.3
95.05022	0.5
97.06579	0.3
101.02431	2.9
109.06625	0.3
113.02421	1.4
119.03503	0.5
125.06050	0.5
134.29773	0.2
135.08167	0.4
145.04904	0.3
161.04532	1.0
163.11275	3.6
165.11745	0.3
165.12869	2.4
167.14378	0.4
171.10260	0.8
179.05518	0.5
181.12337	0.6
183.13889	5.4
184.14276	0.3
185.11967	0.2
191.10757	0.9
193.12326	1.4
199.13397	0.7
209.11812	100.0
210.12167	3.6
211.13376	88.0
212.13702	3.1
227.12862	16.1
228.13187	0.4
235.08180	2.8
249.15002	0.5
253.09286	10.0
403.25000	0.9
429.21213	0.6
445.20908	1.5
447.22269	3.2
463.22018	0.5
539.36066	0.3
621.32953	0.9
639.33679	0.8
657.33734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.7
69.03457	0.4
71.01378	2.5
73.02942	0.7
80.02669	0.7
81.03452	1.2
83.05020	3.9
84.02157	0.9
85.02949	0.9
87.00854	0.7
89.02458	2.0
95.05020	0.4
97.02940	0.4
101.02450	3.2
109.06574	0.3
113.02444	1.6
119.03515	0.6
125.06137	0.4
131.03468	0.3
135.08142	0.7
143.03435	0.4
145.05026	0.6
161.04568	1.2
163.11272	2.9
165.12827	2.4
167.14400	0.6
171.10258	0.9
181.12270	0.5
183.13904	6.7
186.42001	0.4
191.10786	0.7
193.12338	2.1
199.13503	0.3
207.10277	0.4
209.11823	87.2
210.12141	2.0
211.13385	100.0
212.13736	3.5
219.79367	0.3
225.11237	0.3
227.12883	13.5
228.13281	0.6
235.08205	3.4
249.14897	1.2
253.09283	8.9
385.24118	0.4
386.43320	0.3
403.24744	0.9
410.81754	0.3
445.20718	1.7
447.22470	4.7
448.22583	0.4
621.32715	1.0
639.33777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76478	1.0
59.01368	3.2
61.98814	4.3
71.01378	3.7
76.13835	0.9
87.00833	1.5
89.02403	2.5
89.86615	1.0
91.34256	1.1
95.06687	1.0
96.48878	1.2
101.02459	1.2
107.01370	2.9
109.02927	2.0
121.02954	1.7
123.00856	2.6
124.01678	5.1
125.02456	10.2
133.05080	7.4
137.02441	1.8
139.00403	1.2
139.04042	1.4
140.01167	1.4
145.02921	2.5
149.02423	2.7
161.02431	3.3
162.03139	1.9
163.03957	1.9
164.01109	1.9
165.01892	5.4
168.00589	4.7
169.01428	13.0
173.02423	1.9
173.06555	1.3
177.01921	2.3
179.03514	2.1
183.02911	2.3
189.01848	1.8
190.02689	3.2
191.03549	5.0
191.05299	1.0
192.00639	27.8
193.01405	43.3
194.02087	3.3
205.01337	2.9
206.02145	3.7
207.02956	15.8
211.02484	11.6
234.01639	10.7
235.02455	12.7
235.92365	1.3
249.04005	5.7
249.64845	1.0
277.03677	1.2
294.03751	2.3
295.04532	1.2
309.06100	3.1
312.04758	1.8
313.05774	2.9
339.58691	1.0
461.07187	4.0
479.08380	21.8
551.10425	13.6
595.13000	100.0
596.13220	4.4
657.35504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	67.2
60.01693	0.5
64.26926	0.4
69.49578	0.4
70.69889	0.3
71.08843	0.3
90.97123	0.6
98.21791	0.7
132.98206	1.4
157.03560	1.6
159.01402	0.6
166.13553	0.3
174.99232	28.1
192.95894	1.9
201.02538	16.9
202.02757	0.4
217.00281	100.0
218.00627	2.0
324.88165	0.5
343.03772	2.1
359.01453	36.1
360.01773	1.9
374.99191	53.3
375.99451	1.4
460.24615	0.5
480.84320	0.4
517.00409	10.4
518.00757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
60.86113	0.5
71.01375	1.0
73.02918	0.5
74.09702	0.5
89.02424	0.6
93.03401	0.6
95.01382	1.0
96.96012	0.6
101.02455	0.7
107.01405	1.2
108.02167	2.1
109.02959	4.2
111.00813	0.5
116.06083	0.5
121.02935	1.3
123.00889	2.8
123.04522	1.0
124.01694	2.5
125.02451	10.2
135.04527	2.9
137.02420	2.0
139.00368	0.8
139.04007	1.1
139.11278	1.2
145.02896	0.7
149.02388	2.6
151.00313	1.4
151.04028	1.4
153.01913	0.9
158.59424	0.5
159.15311	0.5
161.02403	1.6
162.03325	1.0
164.01149	1.3
165.01900	3.9
166.02734	1.3
166.99779	0.6
167.03479	0.9
167.99353	0.6
168.00658	4.0
169.01416	11.9
170.29996	0.6
174.01674	0.5
177.01866	1.0
178.99834	0.9
183.02951	0.7
183.10229	1.2
190.02757	1.4
191.03526	1.0
191.05595	0.9
192.00641	30.1
193.01405	53.2
194.02069	4.0
205.01418	1.1
206.02242	1.6
207.01172	1.0
207.02972	12.9
211.02458	9.9
219.03177	0.5
221.00975	1.6
222.01680	1.4
223.02467	0.8
234.01797	4.5
235.02461	5.6
237.04131	0.8
249.04012	1.5
271.04630	4.3
294.03854	0.7
295.04492	0.6
312.04837	3.6
313.05701	5.6
327.07242	1.9
464.05615	1.2
465.06699	2.9
478.07971	0.8
479.08310	100.0
480.08621	6.1
497.20490	6.8
574.18945	0.6
612.02319	0.6
627.09650	1.7
641.11560	1.0
659.12640	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	659.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42938	0.8
59.01373	3.7
61.98809	2.6
62.61919	0.8
67.01904	1.0
70.76535	1.2
71.01369	2.5
79.22694	0.9
81.03455	1.9
82.66785	0.8
83.05009	2.0
84.54602	0.9
88.65558	0.8
89.02458	1.0
93.03493	1.5
93.23627	0.9
95.01378	2.2
96.96027	1.9
97.02924	0.9
101.02402	1.2
103.41141	0.9
105.03494	1.3
107.01374	3.8
107.05022	2.2
108.02131	1.2
109.02939	2.1
111.00884	2.4
117.03449	2.3
119.05014	1.4
121.02956	7.6
123.00894	7.7
123.04518	1.0
124.01685	9.1
125.02446	12.2
127.00359	1.4
127.26758	0.9
132.02231	0.9
133.02950	3.5
135.04521	3.1
136.98805	1.5
137.01472	1.0
137.02440	3.9
138.03241	2.3
139.00343	2.0
139.04030	4.2
140.01134	2.1
141.09181	1.5
145.02937	6.0
148.01584	1.1
149.02399	4.5
151.03957	1.6
153.05537	4.2
159.04428	0.9
161.02449	12.9
162.03262	5.5
163.04036	6.4
164.01125	3.1
165.01942	5.7
166.99884	5.2
168.00655	8.8
169.01437	6.2
173.02425	3.1
174.03178	0.9
175.04045	1.1
177.01936	3.5
177.05539	1.2
178.02728	1.5
178.99907	0.9
179.03531	2.0
182.02191	10.1
183.02971	5.6
187.03952	1.2
189.01924	3.9
190.02731	11.7
191.03520	9.7
192.00636	11.7
193.01396	10.7
197.04584	7.5
197.11781	1.9
202.02754	1.5
203.03496	2.4
204.04185	1.0
205.01440	9.3
205.04921	1.2
206.02197	12.2
207.02969	27.9
208.03409	1.2
209.11771	3.1
211.02452	10.6
217.01515	1.4
218.02013	1.1
219.03008	1.5
220.03757	1.2
221.04437	2.0
225.03992	2.7
231.03001	1.1
232.03656	1.3
233.00923	2.0
233.04559	2.1
234.01674	22.7
235.02454	26.4
245.01013	1.2
246.01602	3.7
247.02469	2.6
249.03914	7.3
261.03934	1.4
264.02722	1.1
276.02771	1.4
277.03430	3.4
294.03848	3.0
295.04495	2.6
309.06195	4.1
386.58368	0.9
461.07278	8.4
475.09265	1.1
493.09851	8.4
507.11215	2.8
575.04645	0.9
617.74554	1.1
659.12524	100.0
659.30176	4.1
660.13159	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	659.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03459	1.2
58.00600	1.0
59.01377	36.5
69.03476	0.5
71.01382	14.1
71.45416	0.5
72.99323	1.1
73.02951	3.1
81.03481	0.9
83.01401	2.2
83.05048	0.5
85.02944	5.3
85.03389	0.5
87.00933	0.4
87.04504	3.3
89.02437	10.7
95.01383	2.0
95.05060	1.4
97.02965	1.1
99.04546	1.0
101.02453	6.1
107.05023	0.4
108.02171	19.3
109.02950	41.8
109.06598	1.0
110.03298	1.0
111.04546	0.8
113.02454	4.3
113.06076	0.7
117.80973	0.4
119.03490	3.4
121.02940	0.5
123.00907	1.4
123.04541	2.7
125.02440	1.3
125.06053	0.6
135.04514	0.5
135.08171	0.9
137.06096	1.1
139.11304	0.8
151.04054	1.6
157.08289	0.4
161.04521	0.4
161.09714	0.6
163.11275	3.4
168.97205	0.4
169.01357	0.8
177.09305	0.5
177.12726	0.5
179.05658	0.6
181.12347	14.5
183.10345	0.7
193.12259	0.5
195.13821	0.5
205.12372	1.5
207.10274	1.6
219.13933	0.7
221.11926	0.6
223.13454	0.4
225.11330	10.1
231.10155	2.1
239.12947	0.6
249.11307	2.1
263.12839	2.0
267.12296	0.8
288.77625	0.4
291.12329	3.0
301.00024	0.7
304.24454	0.4
309.13513	2.1
369.15717	1.0
407.36658	0.4
479.19205	100.0
480.19537	7.3
497.20276	3.4
659.25543	35.9
660.25958	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	659.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01376	6.0
69.31356	2.1
69.31760	1.2
70.99801	0.5
71.01375	4.5
72.90917	0.6
73.02924	1.3
80.02689	0.8
81.03434	2.0
83.05033	5.8
84.02158	0.9
85.02937	1.9
86.76186	0.6
87.00874	1.6
89.02436	4.0
95.05002	1.8
97.02925	0.7
97.06597	6.4
101.02435	4.9
113.02473	3.0
119.03488	1.1
126.11821	0.5
131.61453	0.6
135.08203	0.8
143.03542	0.6
145.05054	1.1
151.11285	15.4
152.11642	0.6
161.04549	1.9
163.11288	4.7
165.12831	2.8
169.12337	69.0
170.12616	1.7
171.10223	1.1
179.05653	0.8
185.11702	0.8
191.10791	0.9
195.10245	4.2
209.11823	75.4
210.12151	3.5
211.13545	3.6
212.13754	1.3
213.11288	10.6
227.12854	7.3
235.08171	1.8
253.09291	4.8
334.60425	0.7
431.19162	2.1
449.20230	6.6
641.31830	2.4
659.32849	100.0
660.33093	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	662.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
60.46540	0.6
61.98831	9.6
71.01352	1.4
71.45560	0.8
73.80987	0.7
78.90475	0.7
79.01855	0.8
93.03457	14.2
95.01376	1.5
96.96001	0.7
99.00815	0.9
100.72485	0.7
105.36514	0.8
107.01379	4.8
107.04986	1.6
108.02130	1.1
109.02943	3.3
111.00780	1.4
117.03404	1.7
119.05031	1.0
121.02965	1.3
123.00894	6.5
124.01668	9.7
125.02441	17.8
132.02130	0.7
133.02859	1.9
134.03764	4.0
135.04445	1.5
136.98744	1.2
137.02454	12.0
139.00291	2.0
139.03932	2.2
140.01112	1.5
145.02859	3.0
145.03909	0.7
147.04457	0.8
149.02342	2.8
151.00267	0.7
155.32947	0.7
160.01665	3.1
161.02448	10.4
162.03087	3.1
163.04053	3.4
164.01085	1.2
165.01961	3.9
166.99796	1.4
168.00644	7.2
169.01414	17.6
171.10146	1.0
173.02386	1.8
175.03976	4.3
177.01813	2.7
177.05391	0.9
179.03375	2.3
181.01271	0.8
183.02971	5.3
189.01817	1.5
190.02695	7.8
191.03470	7.8
192.00639	7.8
193.01431	7.9
193.04927	2.5
202.02638	0.9
203.03499	0.9
205.01421	6.4
205.04942	0.9
206.02190	8.1
207.02971	20.4
209.11748	1.5
211.00638	0.7
211.02477	9.1
219.03011	1.1
220.03542	1.1
221.04402	1.5
231.03029	0.8
233.00833	1.7
233.04393	0.8
234.01688	16.3
235.02448	18.9
235.05887	0.8
246.01491	2.4
247.02260	1.6
249.04028	7.9
256.68686	0.7
258.01492	0.9
261.03995	1.1
276.02515	1.0
277.03329	2.9
279.04745	0.8
294.03586	1.9
295.04443	2.0
297.26489	0.7
309.06262	3.4
432.06799	0.7
433.07339	1.9
461.06866	1.6
584.07574	1.6
599.10199	100.0
600.10632	8.6
661.30133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40738	0.7
58.15987	0.8
59.01370	2.0
61.98827	14.9
68.70393	0.7
71.01382	2.2
79.01867	1.7
81.03406	0.9
83.01400	0.8
91.02442	0.7
93.03461	7.3
95.01366	2.4
95.05009	0.9
97.02934	1.5
101.02457	1.0
107.01383	6.9
108.02178	4.5
109.02956	7.5
111.00877	1.3
113.02431	1.6
117.03489	0.9
123.00886	11.4
124.01666	10.5
125.02444	29.7
126.02789	1.6
132.02188	1.1
133.02946	3.1
134.03725	8.6
135.04500	2.8
136.98805	1.5
137.02467	7.8
139.00354	3.0
139.04013	2.3
140.01167	2.2
141.01877	1.6
145.02893	2.1
149.02425	1.0
149.06070	1.1
151.00365	2.5
151.03816	1.1
160.01671	7.2
161.02435	11.6
161.04486	0.9
162.03203	2.6
163.03987	2.3
165.01903	2.9
166.99821	1.7
168.00621	8.1
169.01413	36.5
170.01727	1.2
171.10281	0.9
173.02402	1.0
175.04021	10.0
178.02754	1.4
179.03506	4.4
181.08615	1.3
183.02983	5.5
185.97075	0.7
190.02660	4.0
191.03452	4.4
192.00642	4.1
193.01410	5.3
193.05054	6.1
203.03448	1.0
205.01419	3.8
206.02100	3.7
207.02965	12.8
209.11778	2.3
211.02417	4.8
225.03954	0.9
227.12804	1.3
233.00861	1.7
234.01683	9.0
235.00418	1.0
235.02475	7.8
237.66048	0.8
246.01520	0.9
247.02596	1.6
249.04039	4.1
277.03510	1.1
294.03793	1.5
295.04416	1.5
309.06146	1.3
337.09338	1.2
415.10501	1.4
461.07117	1.7
489.10425	1.4
599.14063	100.0
600.14435	12.3
636.87463	1.0
662.31781	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	663.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
62.66951	0.6
67.01883	0.7
69.03452	1.8
71.01388	5.6
72.99325	0.8
75.68333	0.6
79.01906	1.5
81.03453	2.2
85.02982	0.8
95.01387	2.6
97.02950	1.8
101.02418	1.6
107.01388	19.5
109.02956	0.9
111.00871	2.1
113.02460	1.1
121.02946	1.7
123.00072	1.1
123.00891	10.0
124.01660	16.6
125.02444	70.0
126.02750	1.2
127.00348	0.7
136.98831	0.8
137.02426	1.8
138.03259	2.3
139.00363	2.0
139.04015	17.1
139.05042	0.6
140.01112	1.2
141.01878	2.0
151.00359	2.4
152.01016	0.7
153.01869	0.9
163.64145	0.6
164.01068	0.9
165.01860	1.1
166.02631	1.2
166.99881	4.8
167.03493	1.2
168.00633	17.4
168.64345	0.6
169.01422	100.0
170.01764	2.2
178.02667	0.7
179.03568	0.7
181.05417	0.5
182.02222	2.4
183.02977	51.1
184.03279	0.9
191.05614	0.8
192.00699	1.9
193.01514	1.3
193.39337	0.6
195.63426	0.7
197.04544	2.4
200.33882	0.6
207.03029	1.3
210.01712	2.0
211.02460	2.9
223.02463	1.4
225.04031	5.1
237.04114	0.8
241.03412	0.7
247.46349	0.6
253.03568	0.9
255.05029	1.0
285.05939	0.7
295.04639	2.4
297.06180	2.1
309.06168	1.5
312.04892	1.3
313.05661	7.4
326.29495	0.7
327.07227	5.2
463.04834	0.6
464.05936	0.9
479.08295	76.6
480.08484	5.5
493.09879	43.5
494.10229	2.5
511.10852	1.8
663.11938	12.6
664.12140	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	663.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54695	0.9
53.12062	0.9
59.48370	0.9
64.39301	0.8
69.03452	1.1
69.38049	2.0
69.38457	2.9
71.01379	4.4
79.01902	1.1
81.03448	1.3
85.02950	0.8
87.00871	1.0
95.01385	1.3
97.02965	1.7
98.21899	1.1
101.02483	1.1
107.01383	18.6
107.04980	0.9
111.00885	1.6
113.02470	1.1
121.02940	1.2
123.00866	6.8
124.01666	16.7
125.02449	38.1
137.02451	3.2
138.03200	1.5
139.00394	1.4
139.03998	14.1
140.01173	1.1
141.01955	1.0
149.02481	1.1
151.00357	2.6
155.03412	1.2
165.01909	1.7
166.02737	1.1
166.99869	1.6
167.03461	1.6
168.00644	17.2
169.01427	49.0
177.01971	1.0
181.01431	5.2
182.02237	3.3
183.02982	46.3
184.03326	2.1
191.03561	1.0
192.00572	2.3
193.01384	4.6
195.02956	2.0
196.03787	7.1
205.01520	0.9
206.02187	1.4
207.02942	2.3
209.04573	0.8
210.01526	1.2
211.02466	18.8
212.00537	0.8
221.00900	1.6
221.04532	1.4
222.01677	1.6
223.02611	1.0
224.03256	5.1
225.04012	7.1
234.01671	0.8
235.02519	2.0
237.04050	2.3
239.05632	4.0
241.03523	3.4
249.03978	1.3
254.04414	1.5
255.05072	2.8
262.94101	1.0
269.06433	1.1
271.04626	12.3
295.04776	1.2
309.06021	1.5
312.04831	0.9
313.05606	2.7
327.07098	8.0
341.08896	1.6
344.07645	1.0
359.09689	3.7
465.06534	2.0
475.73926	0.9
479.08301	100.0
480.08704	7.9
493.09851	4.0
511.10852	28.2
512.11316	3.2
663.12024	29.9
664.12390	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	663.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88470	0.5
55.15063	0.6
55.95641	0.5
59.01365	3.3
63.20527	0.5
71.01365	1.4
82.00580	0.9
83.01379	0.7
86.00099	0.7
89.02442	0.6
95.01382	1.1
95.51247	0.5
96.95999	3.1
97.02937	0.9
98.21733	1.0
101.02422	0.5
107.01392	4.1
109.02938	0.9
111.00877	2.2
121.02937	1.4
123.00873	3.3
124.01649	19.2
125.02445	26.4
126.02814	0.5
127.00324	1.5
136.01624	1.6
136.98772	1.9
137.02428	2.1
138.03186	1.1
139.00430	2.6
139.04012	1.7
140.01176	4.6
141.01785	0.7
148.01663	6.0
149.02377	1.8
150.03262	0.7
151.00386	2.2
151.03920	0.8
152.01089	1.4
153.01939	0.7
158.20956	0.5
161.02364	0.6
162.03244	0.8
163.00363	1.0
163.03951	0.9
164.01160	4.4
165.01944	3.0
166.02670	1.5
166.99788	0.9
167.03467	2.2
168.00630	20.5
169.01418	33.8
170.01733	1.2
177.01970	0.6
178.02635	1.5
178.99802	1.9
179.03537	0.6
180.00620	2.0
183.02956	2.0
190.02711	0.9
191.03510	1.3
191.05525	1.2
192.00636	66.6
193.01393	28.5
194.01888	1.3
194.99304	1.1
195.02946	0.8
205.01390	1.3
206.02219	0.9
207.02971	18.5
208.03514	0.5
209.00937	0.7
211.02464	68.9
212.02805	1.8
222.01668	1.8
225.03870	0.8
232.03729	0.7
234.01663	1.7
235.02457	0.8
237.03995	1.7
241.03484	1.6
249.03929	1.9
267.04752	0.6
271.04578	100.0
272.04987	3.7
273.00302	0.7
300.99890	1.7
309.06116	0.9
312.04776	1.5
313.05591	2.4
327.07196	6.1
345.08066	2.1
364.29138	0.5
464.05920	0.7
479.08286	55.4
480.08585	4.7
497.09473	3.5
511.10776	3.6
535.37323	0.6
645.11035	0.8
649.07166	0.6
663.12030	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	663.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.3
69.58611	1.5
71.01379	10.0
83.01385	6.2
85.02973	2.8
87.00862	11.6
89.02444	2.1
93.03416	1.7
96.96033	2.7
99.00877	22.9
108.02172	1.9
109.02965	13.2
111.00871	3.7
113.02454	3.7
115.00369	36.6
119.05014	9.2
121.02962	2.0
121.06577	4.0
123.00896	3.8
124.01626	2.3
125.02443	4.6
127.00409	3.4
131.04999	2.3
131.07059	2.0
133.02948	10.7
134.03760	1.8
135.04539	8.4
139.00391	8.3
145.02933	2.9
147.04529	9.3
148.05319	2.7
149.06078	89.3
150.06444	3.2
151.00368	2.9
157.01427	5.6
159.02968	3.8
159.04497	1.9
161.02437	42.8
161.03708	3.1
161.06076	4.6
162.03195	1.6
163.04004	11.8
165.01924	7.0
165.05553	4.8
168.00542	2.2
169.01414	5.2
174.03185	1.9
175.02466	24.9
175.03999	14.3
177.01923	54.0
177.05528	3.1
179.03503	4.9
187.03986	4.2
189.05591	6.4
191.03500	3.1
191.05644	3.7
193.05009	16.2
194.05313	1.4
203.03452	2.0
205.05061	4.0
206.02200	10.9
209.00949	2.6
215.03435	2.4
219.02963	29.6
229.05330	1.6
231.06653	2.2
233.04538	45.6
237.04039	39.7
238.04359	1.8
249.07715	2.6
271.04654	1.9
275.05585	4.4
277.03522	100.0
278.03864	3.8
293.06693	13.6
293.12415	8.8
300.99774	4.1
319.04602	39.8
320.05063	1.6
337.05640	90.0
338.05908	5.3
388.86185	1.7
423.09402	4.2
424.09848	1.8
476.97916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
60.99323	0.1
67.01866	0.2
67.17403	0.1
69.03429	0.1
71.01363	0.5
71.45226	0.1
73.02900	0.1
81.03448	0.2
82.43835	0.1
83.05019	0.2
85.02946	5.5
86.03265	0.1
87.00871	1.3
89.02473	0.1
93.03466	1.8
101.02394	0.1
109.02929	0.5
111.04510	0.8
113.02453	0.2
116.22800	0.1
119.03526	0.2
127.04002	1.9
129.05566	0.2
133.02962	0.4
134.03679	0.1
135.04529	0.9
143.03499	0.1
155.03456	0.2
161.02419	1.6
171.02977	0.4
173.04530	1.6
179.03505	0.8
179.04817	0.1
191.05603	100.0
192.05940	2.2
264.55746	0.1
309.11960	0.4
353.08759	17.1
354.09073	0.8
505.06165	0.2
630.59802	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	663.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
61.98828	1.5
65.55206	1.1
71.01384	4.6
73.02936	1.4
78.95884	1.3
84.26671	1.1
85.02982	1.7
86.05152	1.1
93.03469	3.4
93.66131	1.0
96.96001	1.4
101.02451	8.4
107.01385	1.3
111.00888	4.7
113.02430	3.7
114.17303	1.1
114.70893	1.3
117.03458	1.2
119.05028	1.4
121.02952	11.6
122.03750	10.2
123.00893	2.3
123.04516	2.8
125.02466	10.7
132.02184	1.4
133.02954	8.2
134.03740	40.5
135.04478	3.4
136.01718	3.2
137.02408	2.1
147.04520	10.3
148.05301	5.7
149.02455	22.8
149.06078	14.2
150.03220	88.3
151.03851	4.3
151.07744	1.4
155.92386	1.3
159.04445	1.2
160.01640	19.9
164.04770	7.0
165.05559	96.7
166.05887	1.7
169.01425	14.5
175.03981	26.7
176.04776	32.0
177.01958	6.6
178.02701	18.5
180.04289	7.8
191.07133	40.8
192.00676	1.3
192.04210	2.8
193.05048	89.8
194.05397	2.5
195.06599	57.1
196.06950	2.1
211.02489	3.5
217.05113	3.0
220.03741	6.3
233.06137	2.0
235.06064	65.8
236.06419	3.0
239.07233	1.8
245.00856	1.3
247.06186	2.1
250.06261	3.7
253.08560	1.5
265.07086	8.8
267.06641	1.7
270.98996	1.1
282.08954	8.9
295.08176	14.3
297.11615	2.1
297.29782	1.3
340.09354	2.1
341.10239	37.8
342.10730	1.7
355.11823	6.1
371.10837	1.5
383.11353	22.2
389.12405	100.0
390.12918	7.0
431.13440	65.1
432.13727	3.9
443.13470	1.7
461.14557	4.6
465.11615	1.8
479.08289	3.7
491.15579	22.5
492.15759	1.9
663.11914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26675	2.0
58.75768	1.8
59.01367	8.2
60.08118	1.6
61.98823	5.0
64.04400	1.8
64.26639	1.8
71.01368	6.4
99.08150	3.3
101.02444	6.8
165.50356	1.9
171.10268	8.5
183.10175	2.3
183.13867	4.1
189.15652	2.1
191.14433	2.7
209.11823	9.6
211.13350	15.8
229.14391	8.3
235.13324	2.3
311.22198	3.4
324.30710	1.8
329.23312	100.0
330.23605	4.6
353.23328	9.2
371.24207	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	665.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
60.99313	1.5
69.03451	1.1
69.42677	0.9
69.42955	3.9
71.01371	3.7
80.36501	0.7
83.01369	1.1
85.02943	1.6
88.98802	7.7
93.47737	0.8
95.01387	1.5
96.96009	40.3
96.99251	0.9
101.02423	1.5
107.01398	6.2
109.02962	2.7
111.00911	0.9
113.02436	1.7
123.00882	10.4
124.01665	9.0
125.02446	42.0
136.98767	1.6
139.00391	1.8
140.01135	1.6
141.01981	1.4
151.00365	6.5
153.01897	0.8
165.01929	1.3
166.99864	1.7
168.00641	5.0
169.01422	57.5
170.01775	0.9
179.03595	1.0
183.02975	1.0
193.01395	2.6
211.02533	3.9
223.02452	1.8
235.02692	0.9
237.03818	1.0
253.03668	1.2
295.04633	1.8
297.06140	2.6
313.05646	23.0
405.08078	1.0
423.09320	12.0
424.09799	0.8
443.12518	1.8
457.14520	0.9
465.06711	24.7
466.06918	1.0
575.10413	100.0
576.10718	8.2
581.05481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.1
59.01364	0.9
59.82325	0.1
62.37453	0.1
65.52711	0.1
67.01875	0.3
69.03453	0.2
71.01370	0.7
73.02950	0.2
81.03427	0.2
83.04975	0.3
85.02946	5.3
85.03463	0.3
87.00869	1.3
93.03449	3.0
94.03776	0.2
94.21180	0.1
96.96017	0.2
99.04488	0.3
102.67451	0.1
109.02973	0.7
111.00813	0.1
111.04536	1.0
116.28934	0.2
119.04994	0.6
126.92787	0.1
127.04002	1.5
133.02934	0.6
135.04535	0.7
137.02399	0.3
161.02425	1.5
163.04001	0.6
169.01443	0.2
171.02966	0.4
173.04506	1.4
177.05591	0.3
179.03510	0.9
191.05598	100.0
192.00656	0.4
192.05952	2.6
193.01384	0.3
207.03004	0.2
221.04523	0.4
231.43103	0.1
251.28191	0.2
275.02051	0.2
291.36801	0.2
300.99768	0.3
311.07684	0.4
327.07013	0.3
337.09271	1.3
337.14819	0.3
337.81244	0.2
353.08762	15.8
354.09103	0.8
371.09903	0.1
394.71744	0.1
437.69241	0.2
501.49020	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	665.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.99297	0.2
62.20282	0.2
66.94329	0.2
69.18056	0.8
69.18465	0.4
71.01365	0.5
73.02957	0.2
85.02948	5.4
87.00864	1.2
93.03455	2.1
109.02988	0.6
111.00887	0.2
111.04507	0.5
125.02438	0.4
126.23260	0.2
127.04012	1.6
133.02956	0.8
134.03392	0.2
135.04535	0.6
161.02440	2.0
163.14526	0.2
168.00528	0.2
169.01427	1.0
171.02937	0.3
173.04594	1.2
179.03453	0.6
188.07407	0.2
191.05605	100.0
192.00525	0.3
192.05931	2.9
193.01321	0.4
203.03525	0.3
211.02336	0.2
231.02898	0.6
250.87135	0.2
271.04669	0.5
300.99570	0.2
315.83109	0.2
346.93289	0.2
353.08765	21.8
354.09085	1.6
575.10303	0.2
598.97992	0.2
647.09161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72411	2.5
59.01380	4.7
60.29997	2.7
61.98823	4.3
64.57558	3.5
66.55766	2.7
68.64451	2.8
70.66273	4.6
71.01383	6.9
79.84306	3.2
84.34575	3.1
101.02409	4.0
104.84428	2.5
104.85346	2.7
108.24230	3.1
109.39095	3.0
182.58174	2.8
183.10262	66.3
189.17409	2.7
209.11819	100.0
210.12172	3.7
210.27870	2.8
211.13416	4.0
221.88409	2.9
224.86273	3.2
227.12872	22.9
244.29707	2.7
253.09282	8.0
268.90445	2.6
293.21185	3.6
381.38028	2.9
445.20804	9.3
605.31750	4.7
611.30402	6.3
627.15314	3.8
665.29279	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59448	4.9
59.01371	13.4
61.98817	14.5
64.82900	4.2
71.01388	9.0
71.20237	7.1
83.04990	5.1
97.02953	4.1
101.02455	6.3
134.81590	4.8
171.10199	21.3
181.08714	62.1
183.10188	6.1
199.09798	11.8
209.11578	6.9
211.13388	100.0
253.09305	12.5
329.24304	4.5
330.44669	5.2
447.22412	21.1
665.28705	45.5
666.29877	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	666.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
61.98822	4.6
67.77779	1.1
69.03461	1.6
69.29359	3.4
69.29753	2.2
71.01349	1.6
81.03451	1.5
96.95953	1.1
107.01404	1.9
109.02962	15.1
123.00871	4.9
123.04493	5.5
125.02447	60.5
126.02800	1.4
133.02951	4.5
135.04512	2.7
137.02449	2.5
145.02936	4.2
149.02399	3.2
151.04010	12.5
153.86406	1.2
159.04527	1.5
161.02429	4.8
162.03168	1.6
163.04088	1.4
166.99828	3.0
168.00616	1.9
169.01421	92.7
170.01752	2.6
176.01079	1.7
177.01929	40.2
178.02324	1.5
187.03995	3.4
188.04771	2.0
189.01930	16.3
190.02684	5.7
191.03468	2.2
193.01422	23.4
201.01875	2.6
203.03529	1.7
216.00635	4.9
217.01414	7.5
219.02965	2.7
231.02982	1.3
253.05161	2.1
271.05884	1.3
281.04547	6.7
287.05444	2.3
297.04010	6.2
297.07687	6.1
303.05054	6.6
323.05536	9.0
341.06638	50.2
342.06802	2.2
354.47348	1.0
383.04202	1.3
394.44089	1.2
433.09424	9.1
451.10406	13.9
452.10440	1.1
493.07666	12.3
494.08112	1.5
603.11438	100.0
604.11774	9.8
631.09875	1.4
665.37048	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	666.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24947	3.1
59.01376	12.4
61.98824	11.1
62.15975	3.1
69.14940	21.1
71.01408	4.0
95.01404	3.4
96.96007	33.4
101.02459	3.6
103.27192	2.8
109.02941	24.4
112.17612	3.1
123.04539	7.7
125.02448	57.7
133.02969	6.7
145.02946	12.6
151.04037	6.4
161.02539	3.5
169.01433	91.5
170.01767	4.0
177.01920	60.8
181.08621	3.2
189.01909	40.8
190.02625	5.9
191.03467	7.1
193.01469	8.8
201.01846	5.3
203.03540	3.4
216.00647	4.0
217.01350	26.1
219.02969	8.7
230.81047	3.1
231.02994	9.3
255.03011	6.0
258.45862	4.4
297.03876	5.5
312.67783	3.6
323.05521	38.2
341.06717	51.2
433.09195	16.3
451.10403	34.3
493.07770	5.1
567.12347	4.1
603.11353	100.0
604.11853	12.0
607.07990	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	666.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.98827	100.0
69.26463	1.1
98.22644	0.5
100.88596	0.2
101.02469	0.3
153.37866	0.2
163.37793	0.3
169.01451	0.3
197.73479	0.2
238.68771	0.3
352.39340	0.2
375.33878	0.2
637.57623	0.3
673.93372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75636	1.1
59.01370	4.4
67.01897	1.2
69.03455	1.7
69.44585	4.4
69.46009	1.1
71.01397	1.8
79.01885	1.6
81.03456	1.8
84.60937	1.1
89.02447	1.5
95.01392	5.2
97.02943	1.7
107.01392	2.7
113.02426	1.1
116.92870	1.0
123.00884	24.0
124.01690	10.5
125.02436	61.3
139.00374	3.2
140.01170	1.2
141.01941	2.8
145.02805	1.0
151.00314	1.1
161.02440	1.4
162.03209	1.1
166.99821	13.6
168.00645	5.4
169.01418	72.2
170.01854	1.6
176.01193	1.2
177.01891	1.3
181.33585	1.0
190.02707	3.8
192.00642	15.6
193.01436	8.9
205.01541	1.5
206.02217	2.5
207.02988	5.5
211.02484	2.5
213.30916	1.0
217.01373	2.1
219.02832	1.1
222.01793	1.4
231.03035	1.5
234.01732	5.5
246.01669	3.8
249.04018	6.6
271.04675	1.4
276.02676	5.0
278.04251	3.5
292.10422	1.1
309.06253	2.0
312.34186	1.0
322.30118	1.0
327.06873	1.4
343.21277	1.5
461.07556	1.9
479.08313	23.0
480.09222	1.5
487.25974	1.4
505.26212	3.4
631.09296	100.0
632.09924	7.9
667.31519	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38398	0.2
59.01365	1.0
62.16941	0.2
62.28759	0.2
67.01867	0.2
71.01385	0.6
72.88312	0.2
81.03472	0.4
83.01390	0.4
85.02950	6.0
87.00852	1.3
93.03454	2.0
95.01357	0.3
99.04539	0.2
107.05053	0.3
109.02963	0.7
111.04504	0.6
123.00885	0.5
125.02454	0.5
127.04038	1.9
133.02943	0.4
134.03752	0.3
135.04520	12.1
136.04860	0.3
151.00391	0.5
153.01932	4.6
155.03412	0.3
161.02457	2.2
169.01393	0.3
171.03040	0.4
173.04590	1.0
179.03487	2.6
191.05606	100.0
192.00638	1.6
192.05989	2.2
193.01402	0.3
194.02232	0.3
201.01750	0.3
207.02979	0.6
234.01764	0.4
249.04102	0.4
300.99805	0.4
315.07251	1.6
326.52942	0.2
327.07220	1.7
335.10046	0.2
341.08633	2.9
342.09302	0.3
353.08749	15.8
354.08990	0.9
357.56708	0.3
375.06973	2.8
421.08301	0.3
450.17935	0.2
470.96506	0.2
491.90137	0.2
501.92422	0.3
655.26794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04231	0.3
56.06456	0.3
59.01373	4.7
61.98835	0.4
69.03447	1.1
71.01380	2.6
71.05043	0.4
73.02933	0.6
80.02670	1.2
81.03452	1.1
83.05017	4.8
83.60534	0.3
84.02134	0.7
85.02942	0.6
87.00882	0.4
89.02454	1.6
95.05020	0.7
97.02977	0.3
98.21901	1.1
101.02433	2.1
109.06599	0.5
113.02454	1.2
119.03453	0.7
125.06063	0.3
135.08157	0.3
145.05138	0.3
161.04568	1.0
163.11270	3.3
165.12880	2.0
167.10780	1.7
171.10274	1.4
179.05582	0.4
179.10883	0.7
179.14436	1.3
181.12421	0.6
191.10760	0.7
195.13914	4.3
205.12320	4.2
209.11824	100.0
210.12164	4.5
211.13322	0.3
223.13391	46.6
224.13690	2.1
227.12886	13.6
228.13136	0.6
235.08253	2.1
253.09297	8.7
261.14978	0.6
357.14627	0.3
415.25052	0.4
441.21051	0.5
445.20697	2.2
459.22305	3.3
633.32635	0.7
651.33807	0.9
669.34265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
69.03454	1.7
71.01389	1.8
71.45187	1.3
76.20955	1.5
81.03481	2.0
87.00899	1.5
93.15344	1.2
95.01396	1.8
97.02938	1.8
100.33247	1.4
101.02442	3.4
106.90618	1.2
107.01408	5.8
111.40083	1.2
123.00880	6.1
124.01677	5.4
125.02444	70.8
139.00279	1.5
143.03497	4.1
151.00404	1.7
166.99976	1.4
168.00624	3.7
169.01433	100.0
170.01718	2.5
183.03209	1.7
191.05591	2.9
192.00658	3.7
193.01367	2.8
209.00922	1.6
211.02464	7.1
234.01575	2.0
241.03540	2.2
249.04105	2.0
271.04694	4.4
301.00037	1.9
313.05606	22.1
423.05414	1.7
465.06628	14.1
466.06845	2.1
479.08398	11.5
483.07486	3.1
515.33545	1.4
528.07001	1.7
595.46808	1.4
635.08887	85.6
636.09033	8.7
637.59637	1.3
682.84137	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	671.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26115	0.6
81.18210	0.7
83.54230	0.5
85.02951	0.7
87.00867	2.0
90.27564	0.6
93.03435	0.6
96.15528	0.6
107.01402	1.1
109.02977	0.6
111.00882	5.4
121.02979	0.8
123.00879	2.2
124.01694	3.3
125.02461	6.9
129.01956	1.0
137.02457	1.2
138.03281	0.7
145.02899	0.9
149.02470	2.8
149.34879	0.6
161.02478	1.0
162.03180	0.8
164.01198	2.3
165.01935	2.2
166.02664	1.1
167.03474	0.7
168.00644	2.4
169.01433	6.8
175.71394	0.6
177.01959	0.7
178.02737	0.8
179.03572	0.6
183.03030	1.1
190.02650	1.3
191.02002	4.0
191.03619	0.9
191.05608	3.9
192.00638	34.1
193.01404	51.3
194.02095	4.3
195.02826	0.8
205.01302	0.8
206.02238	1.4
207.02975	9.2
208.03433	0.6
211.02464	8.0
221.00900	1.1
222.01738	1.6
223.02443	1.0
234.01707	5.2
235.02467	5.1
237.04045	1.0
249.04048	2.0
271.04578	2.6
295.04358	0.7
312.04831	3.3
313.02396	0.6
313.05722	3.4
327.07321	2.9
348.19284	0.7
464.06152	1.1
479.08313	100.0
480.08643	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	671.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
66.04642	0.5
71.01370	0.6
85.02947	2.1
85.80606	0.5
86.32136	0.5
87.00871	2.0
91.88146	0.5
93.03416	0.5
105.03455	0.6
107.01437	0.6
111.00874	5.5
121.02905	0.8
123.00887	1.9
124.01671	2.5
125.02438	6.2
129.01912	0.6
136.98775	0.5
137.02423	0.9
139.00356	0.6
139.04044	0.7
140.01082	0.5
140.79390	0.4
140.98849	0.5
145.02962	0.4
149.02451	1.6
151.00313	0.9
151.03990	0.6
161.02408	1.0
162.03267	0.8
163.04120	0.7
164.01208	2.3
165.01874	1.8
166.02669	1.3
167.03464	0.8
168.00668	2.3
169.01436	6.9
173.02335	0.4
178.02750	0.5
178.99965	0.5
179.03523	0.6
183.02927	1.0
190.02702	1.3
191.01962	5.8
191.03554	1.0
191.05583	6.4
192.00639	31.3
193.01396	44.3
194.02034	4.0
205.01399	1.7
206.02179	1.4
207.02971	9.9
211.02464	7.0
221.00894	1.1
222.01744	1.3
225.04071	0.6
234.01691	4.4
235.02498	4.2
237.03998	0.9
249.04060	2.1
271.04648	2.6
312.04852	3.3
313.05502	3.6
327.07291	2.3
363.23288	0.5
367.09500	0.7
454.82455	0.4
464.06107	1.2
465.07150	0.6
479.08289	100.0
480.08548	7.6
488.02798	0.5
628.48993	0.5
671.35571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1981
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.95495	0.7
59.01381	3.2
59.39986	0.6
67.01878	1.3
69.03439	0.8
71.01382	5.2
79.01887	1.7
81.03462	1.1
83.01418	1.3
85.02970	1.6
87.00846	0.7
89.02441	1.4
95.01391	1.5
96.96016	2.3
97.02941	2.5
101.02443	1.9
107.01385	13.4
109.02947	2.5
111.00856	1.5
113.02428	2.1
121.02963	0.7
122.85005	0.7
123.00875	15.3
124.01663	9.6
125.02448	64.1
126.02807	1.5
127.00394	0.7
130.08730	1.9
136.01671	13.1
136.98825	1.1
137.02483	3.6
139.00356	2.5
139.03975	1.6
140.01152	3.1
141.01927	1.9
151.00362	9.3
151.04004	10.5
153.01945	0.8
161.02397	0.8
163.03990	1.1
168.00670	4.6
169.01425	75.3
170.01762	1.5
176.04936	0.8
182.13805	0.7
183.03006	5.0
184.07292	1.0
191.05659	0.7
193.01382	0.8
211.02458	1.4
241.03558	1.4
253.03659	1.2
313.05658	19.2
313.10736	1.4
314.05945	0.8
327.06992	1.3
327.12387	1.7
343.11703	1.2
357.13593	0.9
433.10538	0.8
506.43985	0.7
627.33325	1.1
671.19800	100.0
671.36707	3.2
672.19910	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	671.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01377	9.0
61.98830	1.4
69.03436	0.4
71.01379	5.2
71.05013	0.7
73.02946	1.5
78.95911	0.7
80.02649	2.0
81.03468	2.8
83.01382	0.9
83.05025	5.9
84.02170	0.8
85.02937	1.8
87.00877	1.6
87.01379	0.3
89.02444	3.2
93.03468	0.9
95.01414	0.8
95.05023	1.7
97.02946	4.4
97.06583	0.7
99.00884	2.6
101.02448	5.2
107.05032	0.6
109.02925	0.4
109.06593	13.6
110.03741	1.4
111.00886	0.4
111.04549	0.4
113.02464	2.5
119.03509	1.3
121.06580	1.1
123.04542	0.6
123.08138	0.6
125.02424	0.9
125.06050	0.4
125.09722	3.0
135.08138	3.1
136.05325	0.9
142.02727	0.6
143.03546	0.4
145.05064	0.7
145.10228	0.6
151.07631	0.5
161.04568	1.4
161.09714	0.7
163.11279	13.8
164.11526	0.5
165.09248	0.4
165.12840	2.4
171.10274	4.1
177.09160	0.4
179.05643	0.4
179.10849	0.5
181.12360	5.3
183.10255	0.9
185.11823	1.7
187.09688	0.6
189.09221	1.4
191.10782	1.3
197.11781	1.0
199.13330	0.7
201.11368	1.8
201.12926	0.4
207.10257	49.5
208.10555	2.1
209.11821	100.0
210.12155	4.6
211.13443	1.0
215.12706	0.5
221.11787	0.7
221.15668	0.4
223.13402	0.8
225.11316	42.9
226.11678	2.8
227.12883	16.0
228.13170	0.5
231.10181	0.7
235.08226	3.3
235.13347	0.7
237.14883	0.4
243.12369	2.7
245.11734	0.6
247.13399	1.1
249.11256	1.1
251.12906	0.7
253.09254	8.4
254.09825	0.4
263.12885	1.0
265.14426	1.0
267.76865	0.4
282.59689	0.5
329.24545	0.5
349.58105	0.3
355.22839	0.8
357.26379	0.6
373.23767	1.6
381.20645	0.4
389.23370	0.4
391.24841	0.8
399.21796	3.9
417.22769	4.0
435.23880	1.6
443.19186	3.3
445.20798	0.8
461.20288	12.7
462.20380	0.6
485.21054	0.4
499.22208	0.5
527.28265	0.4
609.31537	0.8
625.32458	0.6
627.30634	0.7
635.30676	10.0
636.30841	1.3
653.20660	0.8
653.31665	15.0
654.32013	1.9
671.32690	26.1
672.33063	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	671.3282
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.01863	0.4
59.01378	9.3
61.98825	5.2
65.03978	0.3
69.03435	0.5
71.01381	5.1
73.02938	1.2
76.11775	0.4
78.95876	0.4
80.02674	1.7
81.03459	3.3
83.01385	0.7
83.04513	0.4
83.05023	7.1
83.05520	0.2
84.02162	1.0
85.02948	1.5
86.84850	0.4
87.00879	1.1
89.02443	3.2
93.03448	1.2
94.86472	0.4
95.05022	1.5
97.02946	4.2
97.06578	0.8
98.21848	0.7
99.00852	1.2
101.02439	5.0
106.04232	0.5
107.03806	0.4
107.05019	0.6
109.06586	16.9
110.03716	2.0
110.06899	0.5
111.04530	1.0
113.02444	2.6
117.33621	0.4
119.03519	1.1
121.06563	1.6
122.06136	1.6
123.04530	0.5
123.08147	1.0
125.02444	0.7
125.06091	0.7
125.09724	1.9
135.08168	2.9
136.05304	1.1
142.02684	0.8
143.03554	0.7
145.05040	0.7
151.11282	0.3
152.07143	2.6
159.86147	0.4
161.04573	2.2
161.09726	1.6
163.11279	15.3
164.11613	0.7
165.12846	2.3
171.10268	3.7
172.10637	0.5
179.05574	0.6
179.10736	0.6
181.12343	3.0
183.10237	1.0
185.11797	1.9
187.09787	0.9
189.09215	1.2
189.10809	0.4
191.10774	1.2
197.11838	0.8
201.11246	0.7
205.08633	0.5
207.10251	48.0
208.10590	2.5
208.44844	0.4
209.11815	100.0
210.12186	4.7
211.13406	2.1
217.12268	0.6
221.11874	0.9
223.09822	0.8
223.13438	0.7
225.11311	24.5
226.11627	0.9
227.12875	14.4
231.10175	1.1
235.08260	3.3
243.12270	0.6
245.11795	0.9
247.13406	0.8
249.11273	1.6
253.09270	10.2
263.12894	1.0
265.14499	1.0
281.13867	1.0
293.09268	2.2
299.14819	0.8
305.09341	0.8
306.09769	0.4
355.22678	0.6
357.26056	0.5
373.23825	0.7
381.20688	0.8
389.23254	0.8
399.21722	4.9
400.22037	0.5
405.17859	0.5
413.06232	0.4
417.22797	5.7
418.22693	0.5
435.23828	0.6
443.19138	2.7
445.20969	0.6
447.22266	0.4
458.17389	1.0
461.20261	7.9
462.20828	1.1
463.21481	0.5
502.16559	2.1
517.18542	0.5
563.23181	0.8
609.29553	0.8
625.32147	0.5
626.15265	0.4
627.30310	0.8
630.47479	0.4
635.30731	10.6
636.31116	1.1
639.24731	2.6
640.24847	0.4
653.31732	11.5
653.42206	0.8
654.31885	1.4
671.32837	22.8
672.33386	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	673.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99189	0.1
59.01366	0.3
69.42932	0.3
69.43337	0.4
70.47066	0.2
71.01373	0.2
79.95733	3.2
93.04466	0.1
95.01422	0.1
96.96008	100.0
97.95934	0.2
98.22569	0.3
102.76800	0.1
107.01395	0.3
107.61292	0.1
109.02954	0.2
122.91006	0.1
123.00887	0.4
124.01631	0.3
124.03289	0.1
125.02440	1.4
139.00397	0.2
151.00383	0.3
163.20876	0.1
167.63867	0.1
169.01431	2.1
191.05663	0.2
289.63815	0.1
313.05670	0.5
345.13165	0.2
423.09241	1.1
465.06790	0.4
480.57419	0.2
575.10388	4.4
576.10876	0.4
613.05090	0.6
673.07465	0.2
673.22150	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	673.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54850	1.0
59.01375	8.7
61.98817	4.7
64.79830	0.9
71.01382	4.4
80.02701	1.8
80.05070	6.2
83.05032	5.0
84.02164	1.4
85.02921	1.3
87.00855	1.4
89.02435	2.1
94.06615	2.9
95.05041	1.9
97.02940	1.0
98.22641	3.8
101.02437	4.1
104.05059	2.6
106.06619	3.7
107.03753	6.7
108.04560	1.4
113.02473	2.5
120.04539	1.5
121.05354	1.8
122.06120	42.9
124.07666	1.4
125.02444	1.6
130.06598	1.3
132.04539	1.2
134.06119	11.2
136.07654	1.4
146.06064	2.1
148.04079	2.0
148.79306	1.0
150.05577	1.8
152.07167	56.1
160.04086	2.0
160.06416	2.3
161.04636	1.8
163.11301	4.2
164.07242	1.1
165.12834	3.0
169.01442	1.2
171.10307	2.6
174.05556	4.0
180.06683	1.6
181.12430	1.6
185.11736	1.7
188.07146	5.2
190.05199	1.6
199.13388	10.9
207.10266	1.8
209.11823	100.0
210.12175	2.5
211.08778	2.1
211.13393	2.2
213.10309	12.3
213.46584	1.0
225.10449	4.1
226.11084	2.4
227.12886	79.0
228.13329	1.4
235.08278	3.5
237.10292	3.0
239.11890	13.1
241.13431	6.2
245.12946	7.5
249.10301	2.3
250.07524	1.3
251.08206	2.6
251.11885	3.1
252.09074	2.1
253.09502	14.2
263.08167	2.0
264.08917	1.5
265.09821	6.3
265.14426	1.5
266.10559	2.5
267.11389	3.2
277.09833	2.7
278.06943	3.4
278.10318	2.4
279.07687	5.3
279.10968	2.0
285.12421	24.9
286.12787	1.3
291.07898	1.4
292.08475	1.2
293.09256	14.7
293.12930	7.2
294.10062	4.2
295.10852	16.1
306.10205	2.2
307.10843	5.1
309.12497	1.5
313.11874	3.4
315.54349	1.1
323.10315	6.4
325.12027	2.2
332.17563	1.7
337.08353	9.0
338.08875	1.6
339.09842	2.1
340.14542	1.5
342.12497	1.8
351.09735	1.9
353.11584	1.1
355.13266	2.1
356.17673	1.7
357.15186	2.0
358.15613	11.0
370.11749	1.2
372.17023	1.2
385.13968	1.9
397.13770	1.1
399.15915	1.6
400.16486	8.5
401.17123	2.0
401.23331	1.7
412.16571	4.1
417.16766	1.6
419.24268	1.8
431.18631	1.8
432.19250	4.2
444.15652	2.4
445.20566	3.8
459.17929	5.3
460.18973	8.3
462.16617	1.8
463.21982	6.5
474.20432	5.0
476.18185	3.4
486.16541	2.3
497.24960	1.3
503.17029	4.6
504.17651	16.4
505.17908	1.7
518.19354	16.0
519.20142	1.2
523.23547	3.3
536.20447	3.2
537.25665	2.0
550.21948	16.4
565.24524	51.6
566.24701	4.6
597.27008	7.6
609.23474	31.7
610.24170	2.6
637.32324	3.4
641.26166	98.0
642.26508	9.0
655.33276	3.1
673.28546	22.8
673.40216	1.8
674.28766	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	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
59.01373	2.1
61.98814	0.1
71.01374	1.2
73.02932	0.4
80.02675	1.0
81.03458	0.8
81.89013	0.1
83.05020	3.4
84.02167	0.6
85.02928	0.3
87.00902	0.2
87.09042	0.1
89.02455	1.1
93.03417	0.1
95.05032	0.8
97.02915	0.2
100.28532	0.1
100.78527	0.2
101.02441	1.4
109.06557	0.2
113.02435	0.8
119.03463	0.2
125.06057	0.4
125.09705	0.2
125.89025	0.1
135.08171	0.4
145.05043	0.3
147.11780	0.2
161.04524	0.8
163.11282	3.2
165.12831	1.8
170.18002	0.1
171.10268	1.4
179.05573	0.2
181.12347	0.4
185.11833	0.2
191.10797	0.6
199.13354	0.3
207.10207	0.2
209.11813	100.0
210.12149	4.1
210.14162	0.3
211.13347	0.2
211.75835	0.2
217.67938	0.1
221.11957	0.2
223.13409	0.1
225.11426	0.2
227.12872	15.1
228.13185	0.7
235.08228	1.5
247.13309	0.8
253.09265	5.3
274.22842	0.2
285.12238	0.2
359.29449	0.1
401.23392	0.2
419.24588	0.2
445.20868	1.0
465.98904	0.1
490.51010	0.2
611.30511	0.2
611.80566	0.1
637.32294	0.6
655.33423	0.3
673.34229	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41139	0.1
55.01873	0.2
57.03447	0.1
59.01376	2.5
60.99319	0.2
69.03442	0.1
69.90562	0.2
71.01379	1.8
71.05016	0.1
73.02962	0.4
80.02678	0.9
81.03459	1.2
83.01379	0.3
83.05026	4.7
84.02160	0.7
84.05334	0.1
85.02950	0.6
87.00885	0.4
88.98798	0.8
89.02457	1.3
93.03469	0.1
95.05045	0.7
97.02946	0.2
97.06594	0.3
98.22556	0.2
99.00902	0.1
101.02431	1.6
107.05009	0.1
109.06600	0.3
111.08155	0.2
113.02435	0.8
119.03498	0.3
123.08208	0.1
125.02357	0.1
125.06079	0.5
125.09708	0.3
127.11360	0.1
135.08177	0.7
143.03494	0.2
145.05034	0.2
147.11807	0.2
161.04553	0.7
163.11281	3.9
165.11534	0.2
165.12843	2.4
169.12495	0.1
171.10258	1.4
179.05536	0.2
181.12375	0.6
183.13872	0.1
185.11812	0.3
191.10785	0.9
199.13373	1.0
207.10263	0.1
209.11819	100.0
210.12152	4.6
211.13353	0.3
221.11839	0.3
225.11192	0.1
227.12880	14.7
228.13155	0.7
235.08199	1.4
236.08467	0.1
247.13455	0.7
249.15031	0.1
253.09268	5.9
254.09444	0.2
265.14380	0.3
375.21722	0.2
401.23175	0.2
419.24185	0.3
442.27893	0.1
445.20782	1.1
463.22021	0.4
483.22534	0.1
611.30676	0.2
634.09503	0.1
637.32465	0.6
655.33167	0.5
656.34265	0.1
673.34241	0.2
678.93634	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	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.9
61.98819	12.4
68.01036	3.2
71.01376	57.7
75.09691	3.1
78.95914	15.4
79.35670	3.0
80.02661	3.6
88.83070	2.8
89.02441	8.5
92.33379	2.6
97.02898	4.3
99.00912	6.0
101.02438	7.6
109.06588	12.3
113.02450	2.9
152.99565	7.3
161.04558	3.6
163.11288	11.2
165.12822	3.6
171.10246	11.2
181.12317	5.3
183.13911	9.0
199.13351	15.5
201.11281	9.6
207.10217	31.7
209.11833	50.8
211.11368	5.7
211.13383	100.0
212.29422	3.2
225.11322	21.0
227.12869	39.8
235.08195	4.5
253.09195	11.5
281.22366	4.5
419.24332	4.2
451.20596	3.1
461.20129	3.6
463.21817	7.6
634.74646	3.3
637.32489	7.3
655.33380	13.2
656.33832	4.7
673.34027	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01373	8.0
60.31675	0.6
61.98829	3.5
64.05823	0.5
70.56580	1.1
71.01379	9.5
73.02943	1.8
80.02663	1.2
81.03461	1.9
83.01385	1.0
83.05017	5.8
84.02169	1.3
85.02946	2.0
87.00886	1.4
89.02437	4.3
95.05115	0.7
97.02921	1.2
101.02434	4.8
109.06598	2.2
111.08150	1.4
113.02463	2.5
119.03564	0.8
125.02409	0.9
125.06007	0.7
125.09682	1.0
135.08156	0.8
143.03523	0.8
145.04970	0.6
161.04544	2.3
163.11285	5.7
165.12827	7.9
169.12311	0.8
171.10283	6.1
181.12355	0.9
183.13892	54.8
184.14232	1.7
185.11848	2.7
191.10767	1.5
195.84016	0.7
197.11856	1.5
199.09760	0.7
199.13405	5.4
201.11469	0.9
207.10272	5.0
209.11821	100.0
210.12161	3.9
211.13388	18.3
212.14003	0.7
225.11307	6.0
227.12863	22.8
228.13167	0.8
235.08252	2.7
241.13100	0.8
253.09245	10.1
401.23151	1.2
419.23889	0.9
445.20755	2.3
447.22415	0.7
461.20346	1.3
463.21646	3.5
551.18317	0.7
637.32129	2.1
655.33429	4.3
673.34381	60.9
674.34576	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98829	4.4
68.64661	0.4
71.01385	6.0
73.02934	0.8
78.95918	0.9
81.03441	0.5
81.86134	0.4
83.05025	0.9
84.76225	0.5
85.02972	0.5
87.00926	0.4
89.02438	1.2
93.83324	0.4
97.02979	0.5
97.11008	0.4
101.02434	2.4
109.06583	1.5
113.02454	1.3
139.77609	0.4
157.65773	0.5
161.04620	0.9
161.49930	0.5
162.14778	0.4
164.13538	0.4
171.10255	0.9
171.38275	0.4
183.13882	6.5
193.12341	1.7
199.13399	1.1
201.11296	0.7
201.95918	0.4
207.10216	3.1
209.11804	7.2
211.13391	100.0
212.13705	5.5
225.11360	2.7
227.12885	5.1
235.08208	2.2
253.09320	4.4
393.83514	0.5
400.54138	0.5
401.23276	0.6
419.24591	0.7
429.21213	1.0
447.22314	7.9
448.22464	0.8
461.20416	0.9
544.25513	0.5
597.32733	0.5
623.34277	0.9
624.35382	0.4
641.35120	0.9
655.33386	1.2
673.33966	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	674.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30626	0.3
59.01378	58.7
69.08680	0.7
69.09086	1.9
78.24072	0.3
87.30089	0.3
90.15638	0.3
90.18525	0.3
90.97117	0.4
91.25374	0.3
110.64964	0.3
118.77448	0.4
132.98180	1.8
138.67950	0.3
142.87947	0.3
143.12720	0.4
156.04268	0.3
157.03648	0.4
168.61409	0.4
174.99237	32.5
178.82967	0.4
192.95799	0.8
201.02534	3.9
202.02716	0.4
205.94760	0.3
217.00287	100.0
218.00681	1.6
229.01811	0.4
259.79678	0.4
359.01459	11.0
360.01703	0.8
374.99191	70.9
375.99686	1.9
517.00122	2.4
532.98126	17.9
533.98212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11130	0.8
58.71420	0.9
59.01365	1.9
63.77256	1.1
69.03426	1.1
71.01386	1.7
81.03457	1.8
84.56587	1.1
85.02960	3.6
89.02438	1.0
95.01391	1.9
97.02952	1.3
101.02437	2.8
107.01387	3.2
111.00872	2.8
113.02463	5.2
123.00875	5.2
124.01659	2.4
125.02443	56.2
141.01929	1.3
148.40408	0.9
151.00404	4.3
168.00673	1.5
169.01418	88.7
170.01717	2.3
174.36305	0.9
183.02946	1.3
191.01976	3.1
191.05585	3.6
211.02493	4.1
271.04581	2.1
300.99808	2.1
313.05679	8.0
331.06635	12.1
389.00058	0.9
404.91370	0.9
451.75485	1.0
483.07794	100.0
484.08069	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	675.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08337	4.5
59.01380	14.5
61.98839	22.3
65.99552	4.0
71.01395	10.5
78.55498	4.1
78.95879	3.7
89.02454	4.7
98.21867	10.6
113.02467	3.9
163.11246	5.5
165.12912	4.0
169.12370	9.1
171.10277	14.0
183.13849	11.2
185.11835	7.3
192.14174	4.0
197.11806	100.0
199.13303	4.9
204.64200	4.4
207.10239	7.6
209.11821	79.7
211.13393	16.6
212.13704	4.6
225.11304	4.8
227.12871	19.0
233.15669	4.3
241.83501	4.4
253.09306	9.5
395.81992	3.9
433.20874	6.1
528.19159	4.2
621.32703	14.7
621.78711	4.1
639.33362	12.7
657.34729	8.0
675.31610	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	677.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.7
61.98816	2.0
71.01380	7.2
72.99306	1.1
83.01359	1.6
85.02957	1.8
88.95725	0.6
89.02437	0.9
95.01395	1.3
101.02417	1.5
107.01388	19.0
109.02955	1.2
111.00865	2.0
113.02426	1.8
113.58955	0.6
114.86989	0.7
121.02926	2.8
123.00878	7.9
124.01665	16.5
125.02445	9.6
127.00360	1.1
135.04587	0.8
137.02448	2.4
138.03230	3.0
139.00366	2.6
139.04008	21.2
141.01942	0.6
144.02010	0.6
150.57320	0.6
151.00319	1.2
153.05629	1.5
161.02406	0.9
163.03923	1.0
165.01979	1.1
166.02805	0.9
166.99840	3.0
167.03462	0.7
168.00632	20.6
169.01414	10.2
175.04012	0.8
177.01909	0.7
179.03514	0.6
181.01387	1.3
181.05145	0.6
182.02196	3.0
183.02979	58.2
184.03281	1.3
192.00620	2.0
193.01373	1.5
195.03000	1.4
197.04535	4.5
207.03041	1.8
210.01805	1.4
211.02496	2.5
221.00873	0.7
222.01530	0.8
225.04126	3.4
235.02307	1.0
236.03445	0.8
237.03978	2.3
239.05553	0.8
255.05052	0.7
271.04529	1.1
294.03790	1.3
309.06171	2.2
312.04645	1.2
313.05530	1.5
327.07178	7.2
341.08517	0.9
343.85791	0.7
479.08234	9.2
480.08911	0.9
493.09875	100.0
494.10367	6.9
511.10953	1.9
519.07574	0.9
525.12378	0.8
641.11725	1.2
677.14001	5.8
677.36096	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	677.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72057	1.5
50.78367	1.3
59.01368	3.2
61.98827	3.0
62.91908	1.5
69.03423	2.0
69.30763	7.8
70.52383	1.2
71.01377	6.9
85.02956	1.9
85.62746	1.5
95.01389	2.6
97.02957	1.9
98.22712	2.8
101.02473	2.2
107.01385	24.2
109.02931	3.4
111.00885	3.1
111.74679	1.4
112.53520	1.6
113.02417	2.1
121.02974	2.0
123.00885	8.0
124.01666	21.2
125.01615	2.6
125.02459	29.1
136.98805	1.8
137.02477	3.6
139.00340	2.9
139.04016	23.1
150.03323	1.7
151.00328	1.8
161.02393	1.5
165.01962	2.9
166.99858	4.0
168.00645	26.3
168.99995	1.5
169.01428	27.6
169.02783	2.6
177.01863	1.6
181.01314	2.4
182.02159	5.6
183.02988	61.3
190.02670	2.1
192.00737	2.7
193.01424	3.9
196.03792	4.0
197.04535	5.3
207.02980	4.9
209.04514	2.1
210.01701	1.5
211.02432	11.2
221.00949	2.3
221.65323	1.4
222.01938	1.7
224.03238	3.8
225.04018	6.3
236.03406	1.9
237.04082	3.1
239.05659	2.9
241.03430	2.5
251.05705	1.9
255.05086	1.6
255.10995	1.7
269.06799	1.5
271.04599	5.4
285.06125	1.9
300.99789	1.5
309.06067	3.1
327.07172	6.2
341.08673	1.4
359.10089	2.6
432.21161	1.5
438.05038	2.5
439.05896	1.6
479.08200	7.1
493.09857	100.0
494.10565	6.6
503.85837	1.6
511.10709	14.6
519.07880	3.0
525.12695	2.9
662.67639	1.7
677.13544	19.9
678.13666	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	677.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
70.64542	6.4
77.83903	3.8
78.95903	15.7
83.37671	4.1
83.58056	4.8
119.35045	4.1
152.99556	8.9
183.13814	6.3
209.11905	8.8
211.13402	100.0
220.62271	4.2
238.58307	4.2
447.22250	18.3
462.02838	4.2
659.35352	5.5
677.33038	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.7
61.98820	2.6
64.29469	0.6
69.20640	3.8
71.01379	3.1
73.02916	0.9
80.02687	1.6
80.10429	0.6
81.03468	1.9
83.01374	1.6
83.05025	12.5
84.02180	1.7
85.02944	0.7
89.02441	1.7
95.05028	1.1
101.02447	2.4
104.43638	0.6
109.06570	1.6
113.02429	1.4
119.03483	1.1
125.06082	1.0
135.08173	2.7
137.09691	1.4
143.07088	0.8
161.04562	1.0
163.07645	0.9
163.11284	2.9
165.12863	1.2
169.01518	0.7
171.10269	1.5
172.91135	0.6
181.08705	47.9
182.09024	1.6
187.52458	0.6
199.09802	5.3
209.11827	100.0
210.12144	3.7
227.12898	15.9
235.08237	2.7
253.09294	11.8
445.20697	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36275	0.2
58.02950	0.2
59.01358	0.3
61.98827	0.3
71.01368	0.4
80.05034	0.2
81.03452	7.7
82.06586	0.4
82.95373	0.2
83.05019	19.4
84.05342	0.2
85.02950	0.2
89.64617	0.2
93.22535	0.2
98.22684	0.3
100.07620	0.3
103.45134	0.2
107.01371	0.5
107.06161	0.3
108.04538	0.6
116.85475	0.2
123.00871	0.2
124.01643	0.4
125.02420	0.6
125.07220	1.1
126.05607	0.5
133.01407	0.2
139.03976	0.3
139.83458	0.2
143.08286	0.4
168.00679	0.4
169.01378	0.8
174.69724	0.2
180.10240	0.2
183.02969	1.0
207.14977	1.3
222.16121	0.2
224.17635	2.7
225.16064	13.3
226.16354	0.6
242.18690	0.7
268.16553	0.3
309.21732	1.0
324.26535	0.6
333.22882	0.8
341.29044	1.0
351.23682	0.2
367.27002	1.0
385.28070	0.3
407.33478	0.4
433.31635	1.4
434.22763	0.2
442.49182	0.2
450.34421	1.4
451.32867	7.3
452.33170	0.7
479.08243	2.2
480.08682	0.4
535.39063	0.3
550.43384	1.1
559.39960	0.4
565.44360	0.4
593.43689	0.8
659.48492	1.6
660.48798	0.3
677.49628	100.0
678.49939	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	678.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
60.24668	1.1
61.98826	5.3
69.31185	3.7
71.01369	2.3
85.02942	1.4
107.01395	1.8
108.02201	1.9
109.02945	23.2
111.00881	1.6
121.02926	1.6
123.00914	2.6
124.01668	6.8
125.02449	11.4
137.02489	1.5
139.04031	1.4
140.01196	1.5
140.53282	1.2
144.26117	1.1
145.02995	2.6
153.01941	15.2
159.31535	1.3
161.02451	4.0
162.03201	3.2
163.03955	2.4
165.01949	3.6
168.00612	6.3
169.01396	7.8
177.01877	2.1
183.02963	1.7
189.01953	1.8
190.02722	3.6
191.03513	1.9
192.00618	6.5
193.01453	11.0
203.03377	1.3
205.01382	4.0
206.02242	4.3
207.02963	16.1
211.02438	7.5
221.04764	1.4
233.00885	1.4
234.01691	11.7
235.02464	16.2
246.01797	1.8
249.04100	6.5
276.02811	1.7
277.03473	1.6
294.03763	2.1
295.04684	2.0
461.06879	1.6
480.19614	2.2
605.44525	1.4
615.09869	100.0
616.10175	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	680.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55504	4.8
59.01377	12.4
61.98825	32.8
71.01390	7.2
79.94654	4.1
79.98305	4.4
83.05062	4.1
92.96137	4.2
95.01401	5.9
98.12638	5.0
100.52169	4.5
108.02177	4.8
109.02951	27.9
110.71671	4.3
123.00864	15.9
123.04508	14.1
125.02445	41.0
131.36365	4.4
132.74435	4.4
133.02921	10.6
140.67209	5.0
145.02934	14.0
151.04041	9.7
161.02519	6.2
168.00536	5.6
169.01431	78.8
177.01920	86.3
183.02965	15.2
187.04039	6.0
189.01907	44.6
190.02658	13.6
191.03506	14.4
201.01854	7.9
203.03445	6.6
209.11824	8.7
216.00739	5.0
217.01410	45.7
219.02934	12.2
231.02992	11.8
247.59891	4.6
255.02985	6.9
267.58798	4.4
271.20041	5.5
281.04587	7.0
297.04080	14.8
297.07468	5.5
301.07324	8.8
305.04904	5.2
323.05573	37.0
341.06644	100.0
342.07159	6.9
355.25241	4.5
433.09302	36.4
447.10672	10.0
451.10385	39.8
461.99121	4.9
465.11969	60.1
517.29968	7.5
518.30859	5.3
617.12994	96.2
617.22754	3.2
618.13141	9.0
681.36664	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	680.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49931	1.8
59.01374	4.5
61.98827	48.2
65.88290	1.6
67.83044	1.7
68.71226	1.7
71.44883	2.0
77.78679	1.6
81.98457	1.5
90.49718	1.6
95.05043	2.1
108.02173	1.7
109.02951	28.1
114.61478	1.5
123.04540	9.6
124.01656	3.5
125.02464	6.4
133.02959	9.7
133.45738	1.5
145.02922	14.3
147.04535	2.2
151.03979	5.1
161.02448	5.3
161.04530	1.9
168.00664	4.6
169.01414	6.0
177.01932	100.0
178.02299	3.6
183.03044	8.3
187.04004	3.6
189.01939	46.6
190.02733	7.8
191.03528	11.0
201.01907	3.0
203.03600	4.0
216.00644	6.9
217.01433	43.0
219.02924	15.2
231.03012	12.5
255.02953	7.6
271.08432	1.9
282.01917	2.2
287.05719	2.4
289.07114	2.4
297.03931	5.0
301.00003	2.2
323.01663	2.4
323.05597	67.6
327.04999	4.9
341.06641	79.2
342.06818	2.2
389.25317	2.1
433.09302	39.5
434.09756	2.2
451.10300	83.7
452.10794	5.3
467.09860	11.6
517.30609	2.1
617.12958	35.4
618.12775	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	680.162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	100.0
74.59743	53.4
77.36048	61.1
78.95856	59.9
86.11581	53.8
92.63073	49.7
98.83099	49.5
103.39866	48.5
131.67737	56.4
166.44525	59.3
188.26967	51.4
260.13159	63.6
352.44254	83.3
555.41565	58.1
640.87500	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26958	0.3
58.86051	0.4
61.98828	100.0
69.03134	0.4
80.00098	0.4
83.73714	0.4
100.13673	0.4
101.66754	0.4
114.99270	0.3
120.17102	0.3
125.02504	0.5
138.56482	0.3
164.57344	0.4
169.01324	0.4
171.10275	0.4
206.60596	0.4
227.30927	0.4
243.19582	0.4
265.96060	0.5
280.33319	0.4
408.03668	0.4
427.21957	0.4
452.92444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.6
61.98803	1.2
69.38676	4.7
71.01378	3.8
76.96300	1.3
85.02970	1.5
95.01379	1.3
96.96017	1.6
100.70084	1.2
101.02425	1.4
107.01381	3.4
107.05029	1.4
108.02149	2.2
109.02952	4.2
111.00875	2.6
113.02453	1.7
121.02962	1.2
123.00890	4.0
124.01676	17.2
125.02449	11.4
127.00333	1.8
135.04552	1.6
136.98845	1.2
137.02425	2.4
138.03200	1.3
139.00407	1.9
139.03972	4.6
140.01111	2.2
145.02950	3.1
148.01625	1.2
149.02390	1.9
151.04013	1.8
161.02452	6.7
161.04578	1.2
162.03178	3.5
163.03998	2.7
164.01216	1.2
165.01897	4.1
167.03455	1.5
168.00633	19.0
169.01451	10.5
173.02332	1.8
177.01871	2.9
179.03511	2.0
183.02962	16.5
184.03127	1.3
187.03897	1.1
189.01950	4.4
190.02750	6.8
191.03429	4.8
192.00639	9.2
193.01382	11.3
205.01405	4.7
206.02208	7.9
207.02992	21.9
211.02400	8.4
217.71246	1.1
234.01677	14.9
235.02472	16.5
236.13594	1.2
243.02878	1.3
246.01695	2.5
247.02361	2.3
249.04106	5.1
277.03467	2.7
279.04861	1.5
294.03842	1.5
309.05972	1.6
341.06796	1.3
386.94479	1.2
393.05832	1.3
430.08755	1.2
444.96164	1.3
451.09787	1.9
479.08890	1.3
603.59784	1.2
645.10938	100.0
646.11127	13.8
680.41650	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	681.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39690	0.2
58.24154	0.2
59.01378	0.8
67.01884	0.3
71.01360	0.5
81.03432	0.3
83.05023	0.3
85.02946	5.7
87.00869	1.0
93.03461	2.4
109.02957	0.4
111.04500	0.7
127.03987	1.6
133.02951	0.5
135.04509	0.9
145.21909	0.2
161.02441	1.6
171.02933	0.5
173.04555	0.8
179.03487	0.5
191.05606	100.0
192.05995	2.8
266.24371	0.2
353.08755	10.5
354.08948	1.0
549.99567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
60.09441	0.2
67.01910	0.2
70.60683	0.3
71.01378	0.3
76.50340	0.2
83.05042	0.3
85.02946	4.3
87.00862	0.8
93.03455	1.7
93.83632	0.2
109.02969	0.5
111.04517	0.6
127.03996	1.3
133.02867	0.4
135.04514	0.7
138.28503	0.2
161.02412	1.5
171.03059	0.4
173.04492	1.0
179.03456	0.6
191.05606	100.0
192.05962	1.9
228.18594	0.2
311.35208	0.2
353.08768	13.3
354.09198	0.5
682.98187	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	683.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03439	1.7
59.01378	56.7
64.56016	1.1
69.07758	8.5
69.97127	1.1
70.66682	1.1
71.01379	45.7
71.01777	2.2
73.02947	5.2
81.03474	1.3
82.93393	1.4
83.01386	3.0
84.02180	1.6
85.02954	15.9
87.00896	2.3
89.02445	19.7
93.53082	1.0
95.01408	6.5
95.05037	2.4
96.96034	1.5
97.02982	1.7
99.00904	2.5
100.55418	1.1
101.02438	23.6
108.02174	35.8
109.02955	100.0
110.03234	1.8
113.02441	16.3
117.91920	1.1
119.03487	6.5
122.68684	1.2
123.00932	1.7
127.57312	1.1
143.03474	1.6
151.04019	3.5
157.06685	1.5
159.02977	2.3
159.11755	2.0
161.04562	16.9
161.13347	29.9
163.04002	1.3
169.10237	2.1
177.85518	1.3
179.05573	1.5
185.09657	1.4
187.11278	47.3
188.11601	2.5
205.12332	27.3
229.12413	3.0
231.10194	2.4
243.94208	1.2
247.13342	1.7
249.11363	3.3
253.07233	1.6
254.30110	1.3
271.08191	17.1
349.16586	20.5
350.16931	1.8
411.16452	1.7
459.20233	16.9
460.20706	1.4
503.19235	81.2
504.19565	9.0
521.20654	2.2
631.46912	1.4
639.68170	1.5
683.25726	39.2
683.38409	4.9
684.25848	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	684.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05587	1.0
55.06626	0.8
72.80935	0.8
79.06614	0.9
95.06228	0.8
155.51921	1.0
166.63646	0.9
192.63301	0.8
220.44627	0.8
322.07367	1.1
327.71255	0.9
438.13220	5.0
451.13309	0.9
452.14902	2.2
481.15201	32.6
482.15479	5.8
495.16724	9.7
496.17087	1.8
525.13239	1.4
539.15454	1.8
540.16443	15.7
541.16663	2.3
554.18054	3.9
555.18854	67.7
556.19012	8.5
572.15350	9.6
573.16046	1.0
586.16943	3.1
641.22571	27.8
642.22577	5.4
684.23083	100.0
685.23462	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04412	0.7
59.01377	1.1
61.98824	1.7
62.83353	0.5
68.96218	0.5
69.37180	0.6
71.01392	3.2
71.01714	0.7
71.43468	0.6
82.95383	0.8
89.02422	1.1
92.18478	0.6
101.02428	1.8
103.87493	0.6
113.02472	0.7
183.13863	5.4
193.12323	1.0
207.10426	0.9
211.13383	100.0
212.13733	3.0
223.13333	1.4
235.08176	1.5
238.61484	0.6
253.09303	3.9
297.52341	0.7
304.38522	0.7
329.36652	0.6
359.25784	0.7
387.25412	1.0
429.21246	1.7
447.22375	11.5
566.66760	0.7
623.34253	6.3
641.35333	2.8
696.98657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64837	0.2
59.01374	1.4
60.05653	0.2
60.50507	0.2
70.70623	0.5
71.01374	0.9
73.02934	0.3
85.02944	0.5
87.00864	0.2
89.02450	0.7
101.02445	1.4
107.40171	0.2
113.02463	0.5
119.03549	0.2
146.05780	0.2
161.04565	0.4
167.14426	0.3
174.14893	0.2
179.05489	0.3
183.13901	4.8
193.12370	1.2
211.13385	100.0
212.13710	3.2
235.08186	2.1
253.09264	3.5
328.33258	0.2
387.25580	0.6
405.26373	0.4
429.21234	1.8
447.22342	10.7
448.22659	0.6
463.19635	0.2
587.96002	0.3
623.34399	2.1
641.35223	1.4
656.87366	0.3
680.70154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09536	0.6
57.46730	0.6
59.01371	1.9
66.74426	0.6
71.01369	1.2
73.74194	0.7
101.02426	1.5
138.55051	0.6
147.99251	0.6
183.13889	4.8
188.96982	0.8
192.35007	0.7
192.75760	0.7
193.12325	1.3
194.16571	0.7
211.13388	100.0
212.13747	4.5
235.08211	1.4
237.92067	0.7
253.09250	3.9
429.21329	1.5
447.22296	10.0
448.22409	1.4
623.33960	1.9
641.35400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
65.75601	1.4
71.01370	6.1
71.44990	1.7
81.03436	1.9
85.02925	2.1
95.01385	2.0
107.01398	8.3
111.58877	1.6
113.02400	1.6
121.02995	1.4
123.00906	4.0
124.01667	5.9
125.02450	65.8
126.02795	1.7
133.01407	1.3
137.20299	1.4
139.04013	9.6
151.00394	2.3
166.99962	1.5
168.00607	7.2
169.01425	100.0
181.62198	1.6
183.02977	29.4
191.05528	1.8
193.01381	3.7
211.02437	2.2
248.66403	1.5
295.04529	2.0
313.05600	1.9
327.06979	4.0
423.99200	1.7
479.08356	70.6
480.08835	3.7
523.27710	1.8
586.23315	1.5
649.10474	25.8
650.11267	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	685.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01282	0.2
59.01375	1.5
67.01886	0.3
68.94197	0.2
69.03438	0.6
71.01374	0.6
71.43829	0.2
73.02943	0.2
81.03471	0.5
83.04987	0.2
85.02950	6.5
87.00862	1.0
93.03458	2.7
97.02943	0.3
107.51968	0.2
109.02949	0.5
111.04507	1.1
112.04903	0.2
124.01624	0.3
125.02443	14.2
126.02814	0.5
127.04003	1.2
133.02950	0.7
134.03726	0.3
135.04530	2.4
137.02362	0.3
155.03506	0.4
161.02463	1.7
162.83627	0.3
168.00540	0.2
169.01419	25.9
170.01776	0.9
171.03026	0.5
173.04527	2.1
179.03494	1.7
191.05605	100.0
192.05965	3.0
241.03470	0.2
300.99927	0.8
305.00690	0.3
331.06714	8.8
332.07059	0.5
353.08740	13.7
354.08908	1.1
357.08475	0.3
375.07013	0.3
423.09525	0.3
544.45587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16892	1.3
53.10087	1.3
54.64543	1.3
57.03432	2.0
59.01383	12.0
61.98832	34.2
68.99815	2.9
69.03436	2.5
69.34201	1.6
71.01382	15.5
73.02937	3.6
77.47430	1.3
83.05002	6.4
84.02139	2.6
85.02924	3.8
87.00877	2.1
89.02436	7.0
95.01376	2.4
99.00886	1.7
101.02425	6.5
108.02203	7.1
109.02919	6.6
110.03697	1.6
111.04504	5.4
113.02428	4.1
123.04507	2.2
125.02411	5.4
125.06048	1.8
125.09714	3.5
135.08147	2.1
151.07516	2.2
151.11243	2.4
153.09163	2.1
153.12927	2.2
161.04539	14.8
161.09711	4.7
163.11267	8.2
165.12822	5.7
166.59082	1.8
169.01393	4.2
169.12343	22.0
171.10258	21.8
177.09068	2.3
179.05576	1.8
179.10753	6.9
181.08755	1.7
185.11826	2.7
195.10214	2.5
197.11821	46.7
205.08659	4.8
207.10214	3.7
209.11823	100.0
210.12102	4.7
213.11270	3.0
223.09744	16.8
225.11295	7.1
227.12910	12.0
235.08282	3.7
241.10674	2.2
253.09311	8.1
264.50406	1.6
271.08170	11.1
271.19193	2.5
300.25226	1.6
355.24493	2.2
373.25922	16.3
433.24274	3.4
459.18475	4.3
485.97598	1.5
548.96338	1.7
627.34790	2.1
651.30267	2.2
669.30994	8.3
687.32147	96.5
688.32458	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	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.2
61.98828	46.4
67.87148	1.4
71.01379	11.0
71.45168	1.5
81.03452	2.1
83.01337	2.1
83.05012	8.0
85.02953	3.6
87.00819	1.9
87.62679	1.5
89.02415	5.6
95.05020	1.4
97.02951	2.4
97.06588	2.3
99.00858	1.9
101.02444	7.5
109.02968	2.3
113.02453	3.3
125.02426	3.1
151.11250	1.4
161.04480	4.6
163.11284	7.6
165.12808	2.8
169.01460	2.0
169.11005	2.7
169.12343	41.7
171.10284	11.2
179.10782	1.8
197.11824	44.3
197.13669	2.3
198.12259	2.8
199.13290	1.9
201.11389	1.9
207.10204	5.2
209.11818	84.4
210.12163	3.7
223.09682	5.2
225.11255	7.5
227.12843	9.9
235.08078	2.7
253.09254	8.7
295.90884	1.4
373.25766	4.6
377.14310	1.5
390.87924	1.5
597.28857	2.0
651.29700	2.4
687.32056	100.0
688.32178	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03433	0.8
59.01080	0.7
59.01377	13.9
59.95726	0.5
61.98832	3.1
69.03110	0.6
69.03452	4.2
69.12459	2.8
71.01371	5.7
71.04996	1.2
71.40668	0.4
73.02941	0.9
80.02662	1.2
81.03453	1.8
83.01389	0.7
83.05024	6.0
84.02162	0.7
85.02945	1.8
87.00874	0.7
89.02460	2.2
93.03471	0.6
95.01387	0.5
95.05020	1.4
97.02923	0.7
97.06586	1.1
99.00904	0.9
101.02431	3.7
103.01492	4.7
108.02170	0.5
109.06630	0.9
111.04445	0.6
111.08143	0.7
113.02431	1.9
119.03516	0.6
123.08154	1.5
124.56801	0.6
125.06041	0.9
125.09682	2.6
135.08214	0.8
151.11238	2.2
153.12764	1.3
161.04518	1.1
161.09727	4.1
163.11301	5.0
165.12794	1.8
169.12367	0.5
171.10231	2.2
179.10770	7.6
181.12344	1.2
191.10757	1.0
197.11827	39.0
198.12144	1.1
199.13246	0.5
207.10226	1.4
209.11827	61.0
210.12189	3.0
211.13420	0.7
223.09698	2.1
225.11330	1.8
227.12842	5.1
235.08191	0.6
241.10789	1.8
253.09377	2.6
459.18512	0.9
477.19757	1.5
669.31360	1.6
687.32281	100.0
688.32623	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	689.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	12.2
61.98821	30.7
62.11234	6.3
71.01384	55.0
78.66009	6.5
78.95911	12.4
85.73221	6.3
101.02426	10.0
107.00612	6.9
109.06591	9.4
130.37740	7.3
135.28023	6.6
154.96834	6.7
163.11276	8.9
171.10298	24.4
201.11290	11.1
207.10295	21.6
209.11821	100.0
211.13428	50.1
212.13771	8.4
223.13330	16.7
223.19052	7.3
225.11382	20.9
253.09129	12.3
261.49225	7.4
290.53232	7.5
355.77408	8.5
456.61127	9.7
620.62805	7.3
689.33765	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	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.4
57.03431	0.7
57.46496	0.3
58.00589	0.9
59.01381	8.5
61.98818	1.4
63.60357	0.3
65.03918	0.3
66.43068	0.3
68.99820	0.5
69.03439	0.5
71.01380	56.5
71.05032	0.5
72.01721	0.5
73.02933	3.7
80.02674	1.4
81.03436	1.9
83.01377	0.7
83.05027	7.1
84.02158	1.2
85.02943	3.3
87.00864	1.8
89.02447	3.2
95.01382	1.0
95.05036	2.8
97.02947	2.2
97.06559	0.8
99.00874	1.4
99.04515	0.4
101.02441	4.7
107.05061	0.7
109.02972	0.4
109.06586	7.4
110.03722	1.6
111.00870	0.6
111.04520	0.5
111.08179	0.5
113.02450	2.4
119.03509	0.9
121.06586	0.4
123.08136	0.5
125.02431	0.6
125.06059	0.9
125.09685	1.9
127.11311	1.7
127.29761	0.3
135.08188	2.0
136.05280	0.6
137.09692	0.6
139.07628	0.5
143.03468	0.8
145.05045	0.6
149.09747	0.6
151.11234	0.7
155.10757	1.4
161.04546	1.4
161.09691	1.1
163.11276	9.1
165.09213	0.5
165.12796	2.3
171.10268	30.3
172.10571	0.8
179.10789	0.7
181.08719	0.6
181.12370	3.1
183.10242	1.8
183.13901	0.4
185.11790	2.2
189.09225	1.1
197.11842	2.3
199.09810	0.7
199.13374	1.3
200.89424	0.3
201.11317	14.7
207.10258	20.2
208.10558	1.2
209.11818	100.0
210.12177	4.8
211.13440	2.6
215.12871	1.6
223.13403	0.6
225.11322	24.4
226.11644	1.4
227.12872	10.9
228.13148	0.6
233.11583	0.5
235.08224	3.2
243.12299	1.8
245.11719	0.4
249.11316	0.4
251.12918	1.7
253.09279	9.7
254.09689	0.4
265.14389	0.7
277.09286	0.5
399.21683	1.3
417.22668	1.3
443.19043	1.2
445.20844	0.8
461.20270	5.2
479.21191	0.9
635.30933	0.9
653.31488	2.5
654.31573	0.4
671.32959	3.1
672.33081	0.8
689.33545	4.2
690.33990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.8
57.03450	0.5
59.01375	8.0
61.98814	2.3
69.03471	0.7
71.01377	43.7
72.99297	0.5
73.02949	3.9
80.02672	1.9
81.03468	2.2
83.01386	0.9
83.05021	6.2
84.02171	1.4
85.02953	1.8
87.00875	2.4
89.02428	2.8
93.03456	0.7
95.01336	0.5
95.05013	1.6
96.54935	0.5
97.02915	2.5
97.06589	1.4
98.21898	1.7
99.00867	1.4
101.02435	4.4
107.05035	0.5
109.06580	6.8
110.03714	0.9
113.02421	2.5
119.03503	0.7
121.06533	0.6
123.08186	0.7
125.02390	0.5
125.06023	0.6
125.09732	1.8
127.11272	1.4
135.08147	2.2
136.05322	0.6
139.07599	0.8
151.07547	0.5
155.10791	1.5
161.04547	2.1
161.09695	0.6
163.11292	9.2
165.09203	0.8
165.12839	2.3
171.10265	26.2
172.10631	0.7
179.10747	1.2
181.12317	3.0
183.10243	5.2
185.11792	1.8
189.09225	1.5
191.10709	1.4
197.11798	1.7
199.09729	1.2
199.13428	1.8
201.11298	13.5
207.10257	20.9
208.10582	1.3
209.11818	100.0
210.12169	5.4
211.13371	2.7
215.12885	2.0
223.13434	0.7
225.11302	25.1
226.11711	2.2
227.12881	12.1
235.08177	3.4
243.12332	3.3
251.12947	1.4
253.09259	9.2
263.12881	0.9
281.13910	0.6
399.21674	1.6
417.22787	1.4
443.19211	1.2
445.20935	1.0
461.20071	5.2
479.21234	0.8
487.21985	1.0
635.30872	1.0
653.31708	2.5
671.32837	3.2
672.32886	1.1
689.33960	6.9
690.33887	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	689.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.5
61.98827	6.0
66.75950	0.7
69.68678	2.7
71.01379	5.9
73.02927	0.9
76.89440	0.7
78.95880	0.9
80.02667	1.2
81.03452	1.2
83.05009	3.5
84.02158	0.7
85.02965	0.9
85.51729	0.6
87.00868	1.5
89.02423	1.8
89.84743	0.6
98.21788	0.6
101.02433	3.1
113.02438	1.4
123.42091	0.7
145.05147	0.8
161.04459	1.6
163.11240	3.1
165.12843	2.0
167.14313	0.9
171.10278	1.8
183.13927	6.6
193.12303	2.0
199.13332	1.0
209.11813	86.3
210.12167	3.4
211.13379	100.0
212.13675	3.4
220.03734	0.7
223.15536	0.7
225.11256	1.2
227.12863	13.6
235.08325	3.2
242.62143	0.8
253.09293	7.4
327.60590	0.9
445.20807	1.9
447.22388	7.3
639.33490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.92986	0.2
61.98829	100.0
62.98521	0.2
63.99253	0.3
71.01373	1.1
73.02958	0.2
76.13233	0.2
77.21886	0.2
83.05029	0.6
85.02960	0.4
88.56845	0.2
89.02461	0.5
95.05039	0.2
97.02994	0.3
101.02454	0.4
103.06300	0.2
108.02229	0.3
109.06596	0.3
113.02448	0.3
116.92830	0.2
161.04578	0.4
163.11305	0.4
164.11659	0.3
171.10263	4.1
172.10576	1.4
181.12375	0.2
185.11835	0.4
197.11902	0.3
201.11304	1.2
202.11668	0.3
207.10342	0.8
208.10667	0.5
209.11824	10.0
210.12154	3.4
225.11311	1.6
226.11719	1.0
227.12865	1.5
228.13223	0.5
235.08316	0.5
253.09215	1.1
254.09760	0.3
331.55405	0.2
373.25879	0.3
379.38394	0.2
446.21146	0.2
462.20804	0.5
633.31305	0.2
654.32806	0.4
672.33789	0.3
690.34283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.8
67.01878	0.2
67.60321	0.1
71.01366	0.5
81.03439	0.2
83.04981	0.2
85.02949	5.6
87.00868	1.3
93.03458	1.9
99.04522	0.2
105.18121	0.1
109.02931	0.5
110.37525	0.1
111.04507	0.8
113.06797	0.1
125.02450	0.2
127.04007	1.3
133.02977	0.8
135.04533	0.8
137.02483	0.2
155.03499	0.2
161.02458	2.4
169.01387	0.3
171.02979	0.3
173.04527	1.3
177.01894	0.3
179.03484	0.6
191.05609	100.0
192.05962	2.9
277.03644	0.3
353.08752	26.7
354.09091	1.6
631.63934	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	691.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16547	0.3
57.03437	0.3
59.01372	1.2
69.03460	0.3
71.01380	1.0
71.45231	0.3
85.02461	0.3
85.02949	5.8
87.00870	1.2
93.03445	2.0
96.48182	0.3
109.02937	0.5
111.04517	0.9
123.00890	0.5
125.02431	0.8
127.03991	1.6
133.02968	0.9
161.02423	2.2
167.39914	0.3
169.01430	0.8
173.04514	1.0
179.03471	0.6
181.06612	0.3
191.05602	100.0
192.05957	2.6
199.81276	0.3
211.02664	0.3
264.88574	0.3
300.99686	0.6
343.14642	0.3
353.08752	19.4
354.09094	1.5
423.09015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01377	1.1
60.99298	1.4
67.01886	3.3
69.03453	0.9
69.25299	1.2
69.25704	0.4
71.01376	1.5
73.02922	0.3
81.03465	0.7
83.05021	0.6
85.02940	4.0
87.00874	5.3
93.03454	24.6
94.03782	0.6
96.95998	3.4
99.00874	0.4
99.04515	0.7
106.56959	0.3
109.02939	0.9
111.04523	3.7
113.02441	0.5
117.03438	0.8
123.27139	0.3
125.02432	1.0
127.03996	1.2
129.01921	0.8
134.03743	8.0
137.02425	0.4
138.60030	0.3
149.06064	0.6
155.03439	0.7
156.62479	0.3
160.01720	0.4
169.01433	0.9
171.02995	0.3
173.04538	9.0
175.03848	0.5
187.04059	0.3
191.05605	100.0
192.05942	2.4
193.05014	5.0
300.99973	1.0
367.10300	34.6
368.10822	2.0
381.54672	0.3
470.04105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87062	0.2
59.01374	1.9
65.99825	0.4
67.01862	0.3
70.52341	0.6
70.97563	0.2
75.06866	0.2
82.02967	0.3
83.05013	0.6
94.02985	1.8
96.96019	0.4
102.59593	0.3
108.04554	2.0
116.04922	0.2
120.04532	0.9
121.05318	0.3
122.06111	8.2
123.00910	0.3
124.04049	1.3
125.02392	0.4
133.04034	0.4
134.06111	1.1
135.06868	0.6
136.04048	3.5
136.07677	7.4
137.04779	0.4
138.05623	2.1
148.04063	0.4
150.05609	7.9
152.07167	2.8
156.52968	0.2
159.11792	0.4
160.03943	0.4
162.05655	0.3
169.01506	0.5
174.09294	0.8
175.05130	0.5
176.03479	0.9
186.04285	0.4
186.09230	2.6
187.11324	0.3
188.10793	0.2
190.05063	1.2
200.05849	0.4
201.06560	2.2
202.07245	1.7
202.08994	0.6
202.12350	1.3
205.09779	0.3
212.10786	1.1
213.06380	0.3
213.08192	0.4
214.07314	0.4
214.08974	0.4
215.08221	2.0
217.09743	0.3
227.08315	0.3
228.10332	2.5
229.09784	11.5
230.11983	8.8
231.11597	0.8
239.08377	0.4
240.08904	0.4
243.07672	0.3
243.11237	0.4
244.08524	0.7
245.09286	4.1
245.12961	0.8
255.11359	3.0
257.09335	6.1
258.09958	1.4
259.10764	0.5
273.12433	19.7
274.10431	0.5
274.12875	0.8
275.10303	1.3
291.13382	0.4
299.10403	0.8
317.11401	14.5
318.11713	0.7
334.11691	0.8
335.12466	100.0
336.12817	6.5
355.13022	1.9
557.22125	0.3
559.22516	0.3
587.23370	0.3
599.21594	0.6
619.24023	0.3
631.24066	0.5
659.23944	0.5
691.26489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38990	4.6
59.01376	10.2
61.98827	23.2
62.98815	5.5
78.95901	11.8
109.06606	9.8
125.02431	5.5
160.12630	5.3
166.52351	5.6
168.18553	5.1
207.10251	22.0
209.11839	100.0
210.12201	5.6
211.13396	30.7
225.11345	15.2
227.12910	11.9
447.21719	7.3
637.32245	36.3
655.33435	19.9
691.30591	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37494	7.6
59.01384	14.1
61.11222	8.0
61.98822	34.9
63.67991	9.0
78.48244	9.1
78.95902	16.3
88.98823	9.8
97.19385	9.1
98.22663	22.7
109.06590	11.1
125.51485	9.7
147.17288	8.7
152.99570	14.3
183.13905	21.9
191.61783	9.4
207.10255	42.1
209.11966	20.3
211.13425	100.0
212.13850	10.4
220.14665	9.7
225.11331	31.2
253.09216	15.0
302.94516	9.8
304.37457	10.4
443.19528	11.9
447.22421	20.4
478.85162	10.5
637.32324	60.5
655.33209	58.5
691.31891	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77412	1.6
59.01375	11.2
61.98828	43.8
71.01378	58.9
73.02934	3.1
85.02944	2.8
89.02422	2.5
101.02417	5.8
109.06597	11.6
113.02442	3.1
125.02462	2.7
125.09714	3.7
127.49342	1.9
161.04449	2.5
163.11295	5.5
171.10255	41.0
179.05568	1.8
181.12329	3.1
183.13884	7.4
185.11826	5.9
193.12381	2.0
197.11940	2.6
199.09691	6.6
199.13380	3.8
201.11311	7.6
207.10254	28.7
209.11855	12.8
210.12157	3.3
211.13393	100.0
212.13737	5.6
225.11272	13.5
227.12894	2.1
235.08287	4.4
247.78770	2.1
253.09276	10.4
373.23801	3.2
383.22256	5.4
391.25003	3.5
401.23257	15.5
419.24438	4.0
443.19046	2.8
447.22296	4.5
461.20102	6.5
466.22995	1.7
568.45947	2.1
609.32672	5.3
611.30353	2.3
619.31165	14.9
637.32239	72.2
638.32593	6.4
655.33350	23.5
656.33612	3.3
691.30756	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	691.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	11.8
61.98837	20.9
69.21091	18.3
71.01373	13.6
79.71655	3.5
89.02482	4.4
101.02413	6.9
109.06601	9.3
125.09736	7.3
150.06877	5.6
163.11296	8.1
171.10240	7.2
172.10623	4.5
179.10779	7.0
183.13919	20.2
185.11848	8.6
197.11807	7.4
199.13388	8.2
201.11366	13.3
207.10216	24.9
209.11867	38.3
210.12114	6.5
211.13394	41.3
225.11430	20.4
227.12952	5.9
253.09293	10.9
339.22855	4.6
355.22568	4.4
383.22147	7.3
391.15201	4.8
401.23303	19.1
419.24249	4.2
447.22672	4.8
461.19949	8.1
493.35342	40.1
609.32550	5.4
611.30475	4.3
619.31189	10.2
637.32294	100.0
638.32513	10.3
647.33344	6.8
655.32477	32.0
655.42859	6.1
673.34180	16.0
691.31409	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53992	0.8
57.03430	1.7
59.01377	8.3
61.20706	0.8
61.98826	15.2
69.16312	0.9
70.74592	1.8
71.01377	13.1
73.02946	1.9
79.16206	0.8
81.03452	2.1
82.65660	0.7
83.01421	1.0
83.05038	4.5
85.02965	1.3
87.00860	0.9
89.02438	4.4
95.05004	1.9
96.95996	1.0
97.06567	4.8
101.02438	5.7
112.80751	0.9
113.02438	3.0
113.10151	0.9
119.03527	1.0
127.55818	0.8
151.11304	15.1
161.04597	2.5
163.11275	2.4
165.12871	1.3
169.12332	76.1
170.12666	2.7
171.10272	4.6
179.05510	1.1
181.12340	1.0
183.10362	0.9
183.13858	1.9
185.11826	2.6
191.10811	1.1
195.10231	1.9
197.11790	1.0
199.13373	1.1
201.11288	2.0
207.10184	2.7
209.11819	47.0
210.12155	3.0
210.20557	0.8
211.13359	14.2
213.11325	9.1
225.11349	2.2
226.06064	0.9
227.12955	5.2
227.15022	0.8
235.08261	1.4
253.09282	5.4
357.26205	1.7
431.19049	1.8
439.63684	1.0
449.20291	4.7
637.32318	6.6
641.31970	1.5
655.33069	2.3
659.32825	100.0
660.33173	8.8
691.35565	12.9
692.36414	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03453	0.3
59.01377	3.0
61.98832	4.1
70.97264	0.2
71.01379	2.0
73.02944	0.5
80.02670	1.0
81.03455	0.9
83.01385	0.5
83.05025	4.4
84.02170	0.5
85.02949	0.8
89.02437	1.4
95.05040	0.7
97.06623	0.3
101.02442	1.7
113.02454	0.9
119.03482	0.7
122.10551	0.2
123.08099	0.4
125.06059	0.5
125.09703	0.7
127.11293	0.8
135.08179	0.5
143.03528	0.2
145.05066	0.3
155.10852	0.4
159.38390	0.3
161.04573	0.7
163.11299	3.5
165.09216	0.4
165.12869	1.8
171.10233	1.6
172.10669	0.3
179.05498	0.4
181.08707	0.6
181.12289	0.5
191.10785	0.9
199.09795	0.4
199.13306	0.4
201.11330	23.0
202.11636	0.8
209.11827	100.0
210.12170	4.8
225.11359	0.4
227.12888	14.9
228.13248	0.8
233.04167	0.3
233.95898	0.2
235.08223	2.3
253.09273	8.5
375.21545	0.5
393.22897	0.7
401.25415	0.7
437.20139	1.3
445.20703	2.4
499.80481	0.3
548.98145	0.3
611.31354	0.4
629.31586	0.6
637.32306	0.6
639.95447	0.3
655.33350	0.6
659.28809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05807	1.5
70.65705	2.3
78.95902	42.2
80.02669	2.3
81.03433	2.1
81.70673	1.9
83.05022	10.7
96.96936	4.4
109.10603	1.6
121.61525	1.6
125.70783	1.6
152.99583	66.3
163.11288	3.9
165.12782	4.7
171.00615	5.9
191.10718	2.3
209.11810	95.0
210.12106	4.3
227.03183	4.6
227.12827	10.9
245.04309	1.8
253.21701	22.0
277.21893	2.1
363.12091	5.8
437.15948	8.7
438.49203	1.8
455.16888	100.0
456.17117	6.2
518.86072	1.7
614.97089	1.9
691.38177	92.1
692.38452	15.9
697.21423	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	692.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98828	100.0
71.01382	2.2
78.95915	0.3
84.17741	0.2
109.06594	0.3
125.09673	0.3
140.96829	0.3
151.11269	0.4
161.04376	0.2
169.12302	1.7
170.12723	0.6
171.10269	1.8
172.10609	0.5
199.09689	0.3
201.11322	0.4
201.55850	0.3
207.10271	0.5
209.11827	1.4
210.12144	0.5
211.13394	2.6
212.13722	1.1
221.17097	0.2
225.11414	0.6
253.09270	0.5
324.34680	0.3
401.23300	0.4
620.31360	0.5
626.48901	0.2
637.32574	0.8
638.32446	1.8
655.33344	0.3
656.33917	0.7
660.33081	2.4
692.35962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98829	100.0
71.01383	3.0
78.95914	0.3
86.73595	0.2
87.82856	0.2
89.02441	0.3
152.99632	0.3
163.11299	0.2
169.12376	1.3
170.12689	0.4
171.10242	1.9
172.10637	0.5
174.64842	0.3
183.10278	0.4
199.09946	0.3
207.10335	0.4
209.11813	1.3
210.12230	0.5
211.13412	2.9
212.13754	1.6
225.11365	0.3
227.13069	0.3
235.08260	0.3
250.04744	0.3
253.09401	0.6
308.76852	0.3
402.23816	0.4
444.19193	0.3
447.22687	0.4
558.48737	0.3
569.04193	0.2
585.23779	0.3
620.31738	0.3
637.32574	0.5
638.23431	0.2
638.32660	1.5
656.33850	0.8
660.33344	2.0
692.34473	0.4
693.35565	0.4
707.19690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90845	0.2
59.01376	1.2
61.98828	100.0
62.66938	0.2
67.15819	0.2
71.01375	1.0
80.02675	0.2
81.03484	0.4
83.05022	1.4
84.02190	0.3
84.05337	0.3
85.47733	0.2
85.61614	0.2
89.02453	0.6
95.05067	0.3
98.22693	0.3
101.02461	0.6
113.02454	0.3
125.02376	0.2
125.09771	0.3
135.08211	0.2
146.03239	0.2
161.04572	0.4
163.11313	0.7
164.11612	0.5
165.12810	0.4
166.09534	0.2
166.13203	0.4
171.10312	0.8
172.10678	0.3
181.08737	0.3
201.11324	5.1
202.11649	2.5
206.17947	0.2
209.11829	23.2
210.12158	11.4
211.12399	0.2
219.53613	0.2
221.38339	0.2
227.12894	3.3
228.13219	1.5
235.08249	0.8
236.08621	0.3
253.09242	1.9
254.09717	0.9
446.21402	0.4
645.73193	0.2
655.22229	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	693.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.1
60.18708	4.8
61.98829	48.4
70.67904	7.3
70.68262	4.8
71.01376	7.9
73.02946	4.3
78.91859	9.9
89.02448	6.1
101.02415	5.6
103.06334	4.3
123.04504	4.4
125.02472	5.9
150.06737	5.3
171.10263	6.7
183.13800	4.9
185.05980	6.9
209.11815	100.0
210.12181	9.0
211.13414	87.2
212.13551	5.6
222.25867	5.2
224.89127	4.4
227.12901	21.8
235.08159	8.7
253.09270	13.0
266.26431	4.5
339.25247	35.2
445.20840	12.6
447.22192	10.9
493.34598	4.7
495.36819	22.4
531.33423	6.5
573.01373	6.9
621.32843	14.2
633.34912	46.9
639.33777	14.6
693.31696	15.5
693.39392	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	694.089
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39541	0.6
65.00340	0.8
68.98113	0.7
69.77187	2.2
71.01405	0.8
83.90416	0.7
95.01372	1.1
98.22616	0.9
101.02442	1.0
107.01385	1.9
110.19745	0.7
111.00935	1.1
111.47759	0.6
121.02921	0.8
123.00878	5.9
124.01684	5.5
125.02444	24.1
126.02721	0.8
135.04478	0.6
137.02458	1.2
139.00374	1.6
140.01175	0.9
141.01990	0.8
145.02911	0.9
149.02458	1.2
151.00345	1.2
152.01155	0.8
161.02364	1.8
162.03232	1.4
163.04037	0.7
164.01137	1.6
165.01888	2.2
166.02808	0.8
166.99855	1.2
167.03510	1.3
168.00664	5.7
169.01422	27.1
170.01784	0.7
173.02364	1.1
177.01883	1.0
181.01366	1.2
181.07251	0.7
183.02986	1.3
189.01920	1.5
190.02693	2.8
191.03464	0.8
192.00641	19.1
193.01387	18.4
194.02100	2.0
205.01468	1.6
205.04987	0.8
206.02145	1.2
207.02971	10.7
211.02446	11.0
221.00992	1.4
222.01662	0.8
232.03711	0.9
234.01695	7.1
235.02417	8.1
249.04056	3.3
271.04559	2.4
276.02759	1.3
287.35568	0.7
305.11664	0.8
312.04880	0.7
327.07181	2.4
428.88132	0.7
479.08322	4.9
534.39856	0.8
617.07770	0.8
631.09369	100.0
632.09802	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	694.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07838	0.8
53.08089	1.1
53.08348	0.8
59.64971	0.9
69.31705	5.3
85.56002	0.9
85.69685	0.9
88.82760	0.9
98.21883	2.2
107.01370	2.5
117.03442	0.9
123.00883	3.4
124.01638	6.4
125.02444	31.0
126.02767	1.3
136.98756	1.1
137.02458	1.1
139.00333	1.0
143.19238	0.9
149.02486	1.4
161.02402	3.0
162.03168	1.8
163.04065	1.1
165.01923	3.4
168.00583	5.4
169.01421	28.8
183.02968	2.0
189.01965	2.2
190.02660	3.9
191.03487	2.1
192.00667	8.0
193.01433	13.0
205.01436	2.9
206.02205	3.0
207.02956	13.2
211.02483	11.2
234.01665	11.1
235.02470	9.8
249.04102	5.2
277.03452	1.1
277.63651	1.1
294.03842	1.4
295.04752	1.4
312.04825	1.2
313.05518	1.2
458.29352	1.0
479.08197	2.6
631.09363	100.0
632.09784	14.7
640.92596	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	694.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
71.01399	1.4
81.01467	1.0
82.19173	1.0
83.67860	1.0
95.01382	1.3
107.01368	2.3
109.02981	1.3
111.27782	1.0
123.00901	4.7
124.01687	5.0
125.02446	24.3
137.02475	2.0
138.26340	1.0
139.00438	1.8
140.01166	1.5
149.02478	1.4
161.02472	2.7
164.01180	1.6
165.02016	1.5
166.02652	1.7
167.03545	1.1
168.00667	4.9
169.01431	28.2
179.73079	1.1
183.03044	1.5
190.02686	2.1
191.03532	1.5
191.05605	2.2
192.00644	21.7
193.01413	19.1
194.02074	2.0
205.01489	1.8
206.02234	2.9
207.02995	9.5
211.02478	11.0
221.00998	2.5
234.01700	9.8
235.02374	6.9
249.04033	3.0
271.04556	2.8
283.85608	1.3
312.04776	1.4
327.06769	1.5
396.63580	1.2
479.07928	8.2
487.05576	1.2
631.09369	100.0
632.09851	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	695.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18282	0.2
55.35518	0.2
57.03466	0.3
59.01377	8.2
67.01893	0.3
71.01381	11.3
72.99305	0.9
73.02943	1.1
75.00876	0.6
82.20461	0.2
83.01389	0.6
84.10101	0.2
85.02948	1.3
87.00874	21.6
88.01205	0.2
93.03463	0.6
95.01391	0.3
98.21791	0.4
99.00910	0.4
101.02450	0.3
108.02209	0.2
109.02956	0.5
111.00887	0.3
113.02435	0.6
115.00372	38.3
116.00697	0.6
119.05027	1.6
123.00835	0.3
125.02414	0.3
127.00398	0.7
129.01976	0.2
133.02950	0.3
134.03734	0.4
135.02992	0.5
135.04453	0.3
143.17780	0.2
145.66891	0.2
147.04558	0.3
149.06119	0.3
157.01465	0.6
161.02464	0.4
163.04021	1.3
166.99706	0.3
169.01453	0.3
175.02473	100.0
176.02805	2.3
188.01187	0.2
189.01976	0.3
189.05544	0.3
190.02716	0.9
191.05617	1.4
192.05888	0.3
193.04965	1.2
201.02048	0.3
207.06631	0.3
233.04547	0.8
263.05630	0.9
291.05087	1.8
298.05856	0.2
300.99969	0.6
309.06241	0.5
317.56317	0.2
351.07169	1.6
367.10001	0.3
369.08276	0.8
374.66809	0.2
423.09378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71726	6.1
59.01371	6.6
61.98828	95.1
71.43613	6.3
82.95402	13.3
121.36329	6.0
183.13864	7.9
185.11876	32.9
188.51926	6.7
209.11810	16.2
211.13399	100.0
212.13873	7.2
227.12842	8.1
447.22235	14.7
623.32654	7.5
641.35480	7.4
682.14337	7.2
695.33881	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.9
61.98832	11.9
67.69610	1.9
67.89403	2.0
71.01379	26.0
73.02937	4.7
74.09407	2.0
80.91666	8.6
82.95373	2.0
83.01368	3.8
83.05016	3.2
85.02946	4.8
87.00873	2.5
88.98785	2.4
89.02428	6.2
97.02970	2.3
98.21822	3.7
101.02412	6.3
109.02945	4.1
109.27917	2.0
113.02416	7.7
119.03458	2.3
125.02408	3.8
127.03996	6.7
135.08203	2.5
137.91933	2.6
139.07634	3.3
161.04349	2.1
167.47995	2.1
171.10287	4.4
205.11992	2.3
207.10240	2.8
209.11832	12.7
211.13426	10.2
227.12885	2.6
245.45351	2.1
271.08182	3.1
285.54016	2.1
313.23871	6.0
341.26807	8.1
359.28079	18.6
478.11407	2.3
503.32239	56.3
504.32474	2.6
531.31299	2.9
615.36755	3.1
635.36481	100.0
636.36688	10.6
659.36151	9.7
695.31470	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	695.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88611	0.8
55.01868	0.7
57.03434	0.9
59.01110	1.2
59.01377	14.5
59.86576	0.7
61.98829	32.3
66.17315	0.9
68.20564	0.8
69.03471	1.0
71.01390	12.6
73.02929	3.5
75.39233	0.7
78.95881	0.9
81.49831	0.9
83.01373	1.9
85.00457	0.8
85.02956	2.9
87.00878	0.8
89.02439	8.9
97.02949	1.4
99.00843	1.4
101.02458	4.3
113.02460	1.7
119.03519	0.9
122.65633	0.8
131.03488	2.8
139.21584	0.8
149.04524	2.7
184.17064	0.8
191.05589	1.8
207.10231	0.9
209.11887	1.8
211.13330	1.8
227.13072	0.9
278.98743	0.9
323.25836	4.8
324.26056	1.0
325.27457	26.5
326.27789	2.4
341.26920	6.9
503.32187	13.1
504.32748	1.7
563.16467	0.8
588.46545	0.9
635.36450	100.0
636.36932	10.0
695.33405	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	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
58.09111	0.2
59.01376	4.5
61.98824	0.3
62.05571	0.2
69.03457	0.2
70.29147	0.2
71.01376	2.1
73.02920	0.4
78.95914	0.5
80.02677	1.1
81.03443	0.8
82.95377	0.2
83.01370	0.3
83.05023	4.3
84.02151	0.5
85.02943	0.6
89.02434	1.9
95.05023	0.6
97.02940	0.2
101.02431	2.1
103.01488	0.3
113.02440	1.4
119.03457	0.4
125.06064	0.6
125.75751	0.2
135.08162	0.7
143.03517	0.3
147.11792	0.3
152.99644	0.3
159.90205	0.2
161.04529	0.8
162.81859	0.2
163.11282	3.2
165.12811	2.1
167.20137	0.2
176.14935	0.2
179.05606	0.4
181.12410	0.6
191.10789	0.9
197.11664	0.2
199.09743	0.2
205.19640	0.3
209.11816	100.0
210.12144	3.4
227.12871	10.0
228.13220	0.4
231.17464	0.3
235.08199	1.1
249.18585	43.9
250.18945	1.7
253.09251	6.5
277.21725	0.9
279.23288	0.8
415.22458	0.4
445.20596	1.1
615.43549	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	696.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.5
61.98814	4.0
69.67231	4.8
71.01373	2.9
74.74481	1.7
78.95890	3.4
80.20406	1.2
85.02931	1.8
89.02434	1.8
92.17146	1.3
101.02412	1.8
102.36819	1.4
113.02454	1.6
121.15668	1.3
152.99504	1.6
167.10767	2.7
183.13889	4.7
193.12325	1.9
195.13904	3.8
205.12317	5.7
211.13388	100.0
212.13773	2.8
223.13383	78.0
224.13582	1.6
235.08206	3.8
253.09203	6.5
263.76880	1.3
279.23309	1.8
280.23685	1.7
344.11890	1.7
399.25409	2.2
441.21268	4.4
447.22357	10.6
459.22202	15.8
533.63800	1.5
548.84442	1.4
635.34528	3.1
653.35223	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	697.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
69.30051	1.6
78.43967	0.5
82.80299	0.6
85.06567	1.4
93.03469	0.5
95.01360	0.6
98.21935	1.1
104.44346	0.5
107.01394	1.6
111.00916	0.5
113.06081	1.8
121.02921	1.3
123.00872	3.0
124.01669	3.3
125.02447	9.2
131.06213	0.9
131.07144	12.4
137.02435	1.2
138.03246	0.6
139.00336	0.6
140.01146	0.9
145.02962	0.6
149.02419	2.3
151.00337	0.6
151.03964	0.7
154.98688	0.5
156.95387	0.6
161.02487	1.2
162.03224	0.9
164.01115	2.4
165.01981	2.6
166.02693	1.4
166.99876	1.6
168.00653	2.9
169.01421	9.5
173.00935	0.7
173.08180	5.7
177.01820	1.0
179.03438	0.7
183.02991	0.7
190.02727	2.1
191.03372	0.6
192.00629	33.0
193.01399	48.7
194.02048	4.5
205.01418	1.3
206.02237	1.1
207.02969	10.6
211.02460	8.0
221.00883	1.6
222.01735	1.5
223.02287	0.9
234.01645	4.9
235.02435	4.8
237.04022	0.8
249.04051	2.3
263.63849	0.6
271.04605	2.6
294.03616	0.6
300.99896	0.7
312.04913	2.8
313.05621	3.5
327.07199	3.4
464.05966	0.8
479.08295	100.0
480.08569	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	697.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77576	0.9
59.01374	8.0
59.69172	0.8
61.98829	7.0
62.65192	0.8
65.25826	0.8
69.08415	2.6
69.08833	3.7
71.01384	12.1
73.02969	0.8
75.39785	0.8
81.03466	3.4
83.01380	1.0
83.05019	6.3
84.02174	1.3
85.02970	1.4
87.00863	1.1
89.02450	3.7
95.05062	1.9
97.02966	1.4
97.06577	1.8
99.00879	2.4
101.02460	3.5
101.34827	1.2
109.06609	2.1
113.02471	2.2
116.92924	1.4
117.07095	2.4
119.03473	1.1
120.34849	0.8
123.04484	1.5
125.02471	1.1
133.06630	3.7
135.08159	13.9
153.05608	1.4
153.09264	3.4
158.03905	0.9
161.04622	2.1
161.06082	1.7
163.11311	3.2
165.12744	1.6
166.84195	0.8
171.10234	1.9
179.05595	1.1
179.07117	23.6
180.07465	1.0
181.08733	4.8
181.12389	1.2
185.11725	1.0
197.08205	10.4
207.10297	3.1
209.11826	100.0
210.12170	4.2
213.28307	0.9
225.11377	1.6
226.12083	1.0
227.12894	20.8
228.13411	1.2
235.08144	1.5
253.09264	13.2
253.11664	1.3
352.68121	1.0
433.17130	2.0
437.31870	1.0
643.29590	2.2
644.29932	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	699.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66666	0.6
54.67121	0.6
55.19120	0.6
58.03080	0.6
59.01369	3.4
66.31934	0.7
69.03437	0.7
69.31637	1.2
69.32043	2.1
71.01381	6.0
72.99323	0.8
83.01378	1.4
85.02937	1.7
87.00900	0.8
89.02455	1.0
95.01391	0.7
97.02940	0.8
101.02443	1.4
106.49840	0.7
107.01392	13.7
109.02962	0.7
111.00889	1.1
113.02454	2.3
123.00884	6.5
124.01661	10.5
125.02446	22.9
126.02800	1.1
137.02417	1.2
138.03175	0.9
139.00374	1.9
139.04004	12.9
140.01157	0.8
141.01901	0.6
144.14816	0.7
149.02420	0.8
151.00363	2.3
153.01941	1.2
161.02420	1.1
162.99298	0.7
165.01929	1.5
166.99876	0.9
168.00615	13.1
169.01419	25.3
177.01808	0.8
179.03479	0.8
182.02199	0.9
183.02975	48.5
184.03285	1.2
191.05550	1.0
192.00613	0.9
193.01398	2.3
210.01726	0.8
211.02483	2.9
224.64056	0.7
225.04059	2.1
230.87032	0.7
237.04033	1.9
255.05028	1.4
289.07315	0.9
295.04547	1.2
309.05914	0.9
313.05466	3.1
327.07254	7.1
342.45789	0.7
402.20624	0.8
444.66693	0.8
479.08295	100.0
480.08698	4.5
500.38168	0.8
519.32117	0.9
642.55573	0.7
663.12054	5.3
699.37421	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	699.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01380	13.1
61.98843	0.5
62.64390	0.4
70.31343	0.5
71.01382	8.4
72.99287	0.5
73.02921	1.1
76.83237	0.4
83.01369	1.2
85.02950	2.7
85.66885	0.4
87.00847	0.7
89.02457	5.4
95.01404	1.1
96.96033	0.5
99.00883	0.4
101.02450	4.4
113.02458	2.5
119.03484	1.7
125.02433	1.0
161.04546	0.6
169.01436	0.8
179.05539	0.9
185.11818	0.9
215.12976	0.6
254.37799	0.5
301.96255	0.5
329.23163	1.0
357.26422	4.1
373.25720	0.7
375.27493	10.9
376.27893	0.6
507.34265	0.5
519.31732	11.4
520.31921	1.5
536.31683	1.3
537.32788	100.0
538.33124	7.6
609.21973	0.5
699.37714	4.2
700.39093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01375	18.6
61.98825	1.0
71.01381	11.0
72.99301	1.1
73.02932	2.3
83.01392	1.1
85.02942	3.6
89.02428	6.4
95.01416	1.1
95.56112	0.8
101.02442	6.3
113.02443	2.8
119.03512	2.6
125.02422	1.9
125.09760	1.0
161.04596	0.8
164.92155	0.8
179.05618	1.1
185.11874	0.9
186.62531	0.9
329.23059	1.7
357.26489	4.3
373.25964	1.2
375.27460	14.0
504.44009	1.0
519.31689	16.2
520.31537	1.7
537.32770	100.0
538.33258	6.4
699.37482	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	700.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65850	0.5
59.01367	3.1
61.98824	3.9
69.28336	0.5
70.97054	0.7
71.01380	2.3
72.47709	0.5
80.02677	0.8
81.03449	1.2
82.49203	0.5
83.05018	3.4
85.02918	0.6
89.02451	1.8
96.35263	0.5
99.02043	0.6
101.02447	2.0
113.02440	1.6
117.90373	0.5
119.03462	1.4
122.10796	0.5
141.51758	0.6
161.04536	1.3
163.11261	3.0
165.12862	1.9
167.14420	0.6
171.10222	1.1
179.05736	0.7
183.13855	3.5
191.10924	0.7
193.12297	1.7
204.88672	0.5
209.11823	100.0
210.12083	3.8
210.46555	0.6
211.13385	66.7
212.13757	3.3
227.12866	14.5
235.08214	2.5
253.09250	7.2
332.72617	0.6
445.20856	3.3
447.22189	3.2
463.22311	0.8
526.87067	0.6
621.32764	1.3
639.33563	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	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48954	0.5
58.23542	0.5
59.01376	100.0
67.36688	0.5
67.38801	0.5
71.19248	0.5
73.84944	0.5
75.35580	0.5
75.76859	0.6
81.29677	0.5
95.11418	0.5
96.66269	0.5
98.21857	1.3
106.78448	0.5
116.00879	0.5
126.79002	0.6
129.49530	0.5
145.46933	0.6
255.23485	0.7
437.12875	0.9
438.13373	4.2
439.13757	0.9
451.13858	1.0
452.14853	1.7
453.15466	0.7
478.74158	0.7
480.14166	1.1
481.15140	30.2
482.15530	6.8
495.16785	11.8
496.17087	2.6
497.18494	5.7
498.18741	1.6
514.14716	2.0
515.15369	0.8
523.16669	0.8
525.14233	1.6
539.15771	1.8
540.16418	12.5
541.17004	2.3
554.18097	3.2
555.18787	51.3
556.19031	9.2
567.18463	1.0
572.15485	9.7
573.15863	2.4
586.16681	4.7
587.17676	0.7
598.21045	0.8
609.19775	1.4
627.20673	2.0
641.14282	0.6
641.22491	27.2
642.22595	3.4
701.24591	61.5
702.24945	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	701.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16893	0.7
59.01371	3.5
61.98824	1.1
64.89517	0.7
71.01373	1.5
77.12037	0.7
77.57339	0.6
80.02675	0.8
81.03445	1.4
83.01386	0.7
83.05033	5.5
84.57560	0.6
85.00438	1.1
85.02953	0.9
87.00900	1.0
89.02447	1.6
99.92602	0.9
101.02437	2.2
113.02435	1.4
116.92863	10.6
125.02425	0.8
125.06070	0.7
125.09744	0.9
135.08145	0.9
142.67218	0.6
163.11250	3.6
165.12805	1.7
169.01491	0.9
171.10258	1.7
178.75229	0.7
181.12285	0.7
185.11829	0.9
197.11729	1.6
209.11824	100.0
210.12146	4.1
211.13422	2.0
227.12906	13.9
235.08150	1.6
253.09254	6.8
434.95258	0.7
440.74649	0.7
445.20581	0.9
625.98486	0.7
637.31958	0.9
701.33728	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	701.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22613	0.2
54.25034	0.2
55.01872	0.3
59.01374	7.1
61.98828	0.9
67.83893	0.2
69.03448	0.3
71.01381	1.4
73.02941	0.3
74.35888	0.2
77.15113	0.2
77.19314	0.2
80.61644	0.2
85.02950	0.5
87.00883	0.3
89.02449	1.0
95.01417	0.2
101.02434	1.3
113.02460	0.7
116.77666	0.2
119.03488	0.5
145.05066	0.3
161.04544	0.8
165.12947	0.3
167.10793	0.4
167.14389	0.5
167.31783	0.2
171.10254	0.2
179.05545	0.3
183.13905	6.6
184.14267	0.2
193.12341	1.8
201.72896	0.2
211.13391	100.0
212.13716	6.0
235.08229	1.7
253.09273	3.3
253.11755	0.3
254.09811	0.2
310.67490	0.2
312.23956	0.2
338.97714	0.2
387.25623	0.3
429.21271	1.2
447.22369	8.3
448.22754	0.7
457.24789	0.2
536.87622	0.2
623.33917	1.7
641.35236	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	703.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84132	1.2
55.01883	1.2
56.38809	1.1
56.55712	1.1
57.03436	3.3
57.63871	1.0
58.00594	1.2
58.29545	1.0
59.01378	64.5
61.98803	1.7
69.03435	1.0
71.01384	28.4
73.02934	5.1
75.94178	1.2
83.01387	3.7
85.02950	9.8
89.02444	20.1
91.34671	1.3
93.03423	1.4
94.32485	1.0
95.01382	4.8
97.06524	1.3
98.22660	4.6
99.04508	13.0
101.02438	12.6
107.05040	2.0
107.08636	1.7
108.02161	27.1
109.02953	68.1
109.06575	1.7
110.03268	1.6
110.36934	1.3
113.02437	11.7
119.03487	4.5
123.00844	2.1
125.02477	2.2
134.03737	1.9
135.04507	4.9
151.03958	1.9
161.04556	3.3
165.12798	4.3
169.01482	1.3
179.05551	2.4
189.12756	2.9
203.05496	1.3
206.08859	1.0
207.13882	11.1
209.11824	54.0
210.12114	2.0
220.18118	1.3
251.12871	4.3
253.07156	6.8
269.13867	3.0
300.99835	1.7
313.09378	1.5
389.18118	2.4
431.19116	1.9
466.63858	1.3
505.20734	6.2
523.21838	100.0
524.22260	7.7
541.17438	1.4
542.73047	1.4
703.28192	60.7
704.28058	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95920	90.4
81.46365	65.3
175.07462	76.1
275.87369	68.1
277.21796	100.0
363.89233	84.7
499.78815	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55995	32.3
55.09540	29.2
55.50908	23.8
78.95886	65.1
96.20930	29.8
98.22591	100.0
118.31620	31.9
150.98938	27.7
160.88213	34.1
510.01590	35.3
703.46271	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91701	0.2
59.01379	4.1
60.01707	0.4
61.98829	100.0
67.22939	0.2
80.46198	0.2
80.63026	0.3
98.21857	0.4
124.49668	0.2
155.17889	0.2
223.42418	0.2
244.71010	0.2
470.00259	0.2
474.44089	0.2
483.15167	0.5
484.15775	0.8
498.16760	0.4
499.19547	0.3
543.17163	0.5
557.19409	0.9
558.19244	2.1
574.16321	0.3
575.16016	0.3
644.23248	0.9
704.24445	4.8
704.43066	0.3
705.23181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25652	0.2
61.98829	100.0
64.44797	0.1
71.05050	0.3
101.23845	0.2
110.39378	0.2
134.62814	0.2
151.42876	0.1
152.99736	0.2
211.13593	0.4
212.13799	0.2
234.58177	0.2
393.81985	0.2
394.88861	0.1
402.26675	0.2
734.77496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21450	0.1
61.98830	100.0
70.96993	0.2
78.95921	0.2
97.03040	0.1
130.40019	0.1
152.99612	0.2
159.85443	0.1
180.91324	0.1
206.24255	0.1
211.13506	0.3
212.13789	0.1
481.30624	0.1
648.84003	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	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96351	0.2
59.01372	0.8
61.98827	100.0
66.65303	0.2
68.60168	0.2
71.01363	1.2
82.77486	0.2
109.06557	0.3
152.99635	0.3
171.10310	0.5
176.52043	0.2
183.10347	0.5
183.13895	0.3
207.10300	0.7
209.11942	0.6
211.13374	3.4
212.13741	0.3
225.11377	0.7
253.09343	0.4
435.86646	0.2
447.22244	0.2
491.29962	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	705.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50992	0.3
57.01988	0.3
57.03442	0.4
59.01376	1.8
60.99274	1.2
67.01890	3.8
69.03443	1.2
71.01385	1.9
81.03434	0.7
83.01393	0.6
83.05003	0.7
85.02940	5.3
87.00871	5.9
93.03454	23.4
93.98287	0.3
94.03777	0.3
96.95997	0.4
99.00881	1.9
99.04499	0.4
109.02940	1.3
111.04510	3.4
113.02405	0.4
115.00362	2.4
117.03455	1.0
123.00875	0.5
125.02397	1.2
125.03271	0.3
127.04005	1.3
128.12534	0.2
129.01944	0.5
131.23729	0.3
133.02942	1.1
134.03734	9.9
135.04507	0.4
137.02451	0.6
139.00343	1.0
149.06068	2.5
155.03479	0.8
159.02979	0.3
160.01595	0.3
161.02412	3.0
163.04018	0.4
163.10954	0.3
165.01939	0.7
169.01436	0.7
171.02931	0.4
173.04535	9.6
174.03152	0.3
175.02463	1.4
175.03957	0.8
177.01927	4.0
179.03508	0.3
189.05608	0.5
190.38914	0.3
191.05598	100.0
192.05978	2.7
193.03273	0.4
193.05029	8.6
193.06731	0.6
205.05005	0.4
206.02147	0.3
209.01033	0.4
233.04520	3.3
234.04578	0.3
237.04066	0.4
271.04541	0.4
275.02026	0.6
277.03525	8.7
278.03912	0.4
300.99969	1.9
319.04587	3.4
337.05646	3.0
347.36823	0.3
351.07544	0.4
353.08765	1.9
367.10300	43.9
368.10635	2.8
391.02725	0.4
608.40613	0.3
733.36090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43348	2.6
61.70297	2.4
61.98831	20.2
71.01379	2.9
71.45958	2.8
79.42782	2.7
94.02969	9.8
94.06647	5.6
101.02444	2.8
107.03757	12.6
121.58599	2.7
122.06116	50.9
134.06157	5.8
134.94797	2.4
138.05618	4.0
150.05620	5.9
152.07169	71.6
169.01372	5.0
171.10242	11.2
191.31955	2.7
201.11276	4.4
209.11861	7.2
221.10855	2.7
224.56015	2.5
225.11288	3.3
237.10258	4.4
250.07382	4.7
253.09567	3.3
263.08313	4.3
265.09766	10.5
269.97427	2.8
277.09814	8.7
278.06915	7.5
291.07825	3.7
293.09299	47.6
294.09940	4.5
305.09232	18.8
316.30426	3.9
337.08313	3.5
404.16269	3.2
413.13181	3.2
432.15662	10.4
458.17154	27.3
459.17767	3.8
472.18835	3.9
484.15314	3.1
490.20081	7.4
502.16138	39.1
504.20764	4.7
517.18469	7.4
534.18872	6.8
597.23468	28.2
598.23969	4.1
629.26208	18.4
641.22327	11.1
661.28265	5.4
673.25140	100.0
674.25336	10.0
705.27325	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	705.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.0
61.98827	51.3
65.14976	2.2
71.01379	70.7
73.02934	3.2
78.95890	2.7
80.96529	3.5
83.01362	2.5
83.05013	5.1
89.02460	3.9
97.02960	2.6
98.21837	3.9
101.02428	4.1
109.06590	11.8
113.02451	2.4
139.39594	1.8
161.04663	1.9
163.11232	9.6
171.10286	5.1
181.12379	2.8
183.10300	3.8
183.13850	4.5
185.11803	2.4
195.13881	2.3
195.46272	2.1
199.13362	3.7
201.11305	2.5
205.12215	2.4
207.10254	26.6
209.11823	100.0
210.12108	6.2
211.13400	68.9
212.13736	7.4
213.13881	2.4
223.11229	4.2
223.13394	52.4
225.11351	18.4
227.12859	26.0
235.08257	6.0
244.60413	2.0
253.09268	18.2
253.40787	2.0
263.75653	2.1
271.08389	2.2
362.29526	2.0
401.23239	3.8
429.06024	2.4
441.21057	3.1
445.20917	7.1
447.22629	2.6
459.22269	5.4
461.20279	5.6
507.75922	2.5
637.32367	2.5
651.33685	7.6
655.33026	6.4
656.33203	2.2
669.35022	4.0
673.35004	2.8
705.32495	42.0
706.32135	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	705.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36220	3.0
58.24588	4.1
59.01368	13.2
59.25733	3.0
61.98828	64.1
70.99113	3.7
71.01382	76.7
89.02451	7.3
101.02470	7.3
109.06561	4.4
119.03496	3.7
125.02365	3.7
135.08121	4.6
144.44049	3.2
152.55487	3.4
163.11230	7.1
171.10258	9.6
181.12276	5.4
183.10222	6.0
183.13869	7.2
192.15051	3.5
197.11778	5.8
199.13318	5.1
201.11249	4.1
205.12296	8.9
207.10307	31.5
209.11832	97.0
211.13394	94.2
212.13713	4.5
223.13371	100.0
224.13693	6.5
225.11273	18.6
227.12878	25.0
235.08214	12.4
253.09317	18.2
262.50995	3.8
322.28369	3.6
347.50497	4.4
426.36551	3.7
459.22305	30.8
460.22574	4.8
461.20389	5.2
633.33710	3.8
651.33569	7.7
669.34961	5.2
673.34058	7.8
705.32343	54.2
706.32867	13.0
709.15668	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	705.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
67.51149	0.2
71.01393	1.9
80.02682	1.0
81.03451	1.4
83.01397	0.5
83.05026	4.4
84.02156	0.7
85.02943	0.4
89.02470	1.3
95.05023	0.6
96.84034	0.3
101.02412	1.4
104.50025	0.2
113.02446	0.6
119.03485	0.4
125.06052	0.6
135.08157	0.6
143.65179	0.2
161.04535	0.8
163.11259	3.4
165.12863	2.1
165.95712	0.3
171.10284	1.0
179.05629	0.3
181.12422	0.6
191.10800	0.8
209.11819	100.0
210.12167	4.4
227.12877	15.1
228.13181	0.5
235.08197	1.3
253.09270	5.6
254.09793	0.2
354.15063	0.3
445.20822	1.9
637.32056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
58.97286	0.3
59.01377	3.3
61.98829	100.0
62.75651	0.3
66.91071	0.3
69.23540	1.5
71.01389	3.4
73.02960	0.9
80.02688	0.7
81.03471	0.5
83.01409	0.5
83.05036	2.5
84.02164	0.4
85.02969	0.7
87.00898	0.8
89.02448	1.9
97.06564	0.5
98.22600	0.6
99.00869	0.5
101.02447	2.3
109.06602	0.5
109.80379	0.3
111.08160	0.3
113.02456	0.7
116.23985	0.3
119.03519	0.4
125.06107	0.3
125.09700	0.3
129.23172	0.3
129.55170	0.3
135.08133	0.4
142.23209	0.3
143.03561	0.5
150.34615	0.3
153.09280	0.3
161.04588	0.5
163.11282	2.3
165.12827	4.2
171.10278	0.7
181.12373	0.4
183.13892	34.7
184.14249	1.1
191.10741	0.5
197.11833	1.9
198.12195	0.7
199.13402	0.5
202.55707	0.3
207.10269	0.8
209.11821	35.5
210.12149	2.2
211.13452	3.7
212.13693	0.5
225.11290	1.2
226.00980	0.3
227.12886	6.0
233.90172	0.3
235.08234	0.8
253.09258	3.4
282.48694	0.3
397.92575	0.3
445.20947	1.0
463.22015	1.4
594.35559	0.3
655.33386	0.5
673.34363	39.8
674.34546	5.5
705.36951	3.7
706.37433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98829	100.0
69.20222	0.7
71.01382	0.6
74.60590	0.1
76.14928	0.1
78.43095	0.1
80.02682	0.1
83.05028	0.5
89.02463	0.3
96.96038	0.2
101.02474	0.4
118.58059	0.2
163.11285	0.3
165.12897	0.5
166.13177	0.1
171.10184	0.2
181.12411	0.2
183.13896	3.9
184.14252	1.3
191.10803	0.1
197.11946	0.3
209.11838	5.1
210.12154	2.0
211.13361	0.7
225.11349	0.4
227.12956	0.6
228.13322	0.2
253.09338	0.4
374.47766	0.2
445.20767	0.2
463.22113	0.2
507.42679	0.2
549.37128	0.2
570.01001	0.1
673.34528	1.1
674.34686	5.6
675.34772	0.2
706.37634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
67.01874	0.2
69.33472	0.8
69.33856	0.3
71.01379	0.7
71.14350	0.2
73.96944	0.2
85.02950	5.2
87.00882	1.3
90.07983	0.2
93.03454	2.2
98.22622	0.4
99.04518	0.3
103.91012	0.2
109.02931	0.4
111.04520	0.7
115.64715	0.2
127.04026	1.5
133.02934	0.4
135.04504	0.9
137.02477	0.3
144.11246	0.2
146.26183	0.2
161.02460	1.4
171.02957	0.5
173.04568	1.3
179.03513	0.8
191.05623	100.0
192.06004	1.9
208.99692	0.2
218.61067	0.2
265.44162	0.2
353.08768	17.5
354.09055	0.8
362.11902	0.2
535.30359	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	707.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
57.53067	0.4
58.00605	1.0
59.01110	0.6
59.01381	7.1
59.96962	0.4
61.98819	2.0
65.79630	0.4
69.03454	1.2
71.01379	9.3
73.02943	5.6
74.51552	0.4
75.00845	0.5
81.03454	1.4
83.01386	1.1
83.05003	0.5
85.02953	7.6
87.00867	1.0
87.04517	10.8
89.02464	1.1
93.03464	1.3
95.01366	1.3
95.04965	0.5
96.95976	0.5
97.02937	2.8
99.00887	1.4
99.04517	1.0
101.02444	6.5
107.05018	1.1
108.02175	52.3
109.02955	55.2
109.06591	0.7
110.03274	1.4
111.04514	0.8
111.08134	1.0
113.02441	5.0
121.02953	0.8
122.03745	0.5
123.00893	0.8
123.04556	2.5
125.02446	2.8
125.06091	1.0
127.07625	0.6
133.02988	0.6
134.03680	0.5
135.04535	0.9
135.08144	2.9
137.06056	0.5
137.09715	14.9
139.07635	1.7
139.11288	1.3
141.09248	1.0
143.03488	0.9
151.04013	7.2
151.11293	1.2
155.10777	60.7
156.11137	2.0
159.02994	1.0
161.04550	16.3
161.09732	0.6
163.04056	0.4
163.07632	0.7
163.11322	1.2
165.09193	0.6
167.10785	1.4
169.12332	3.9
171.10228	0.4
177.09239	0.8
179.10770	4.9
181.08704	6.4
181.12334	0.8
191.10759	2.3
193.04933	0.5
193.12355	0.9
195.10298	3.0
197.11838	0.7
199.09755	25.9
199.13445	1.0
200.10121	0.9
201.11366	0.6
209.11757	1.2
213.11320	4.7
223.09708	1.3
225.11369	0.9
227.12886	0.8
237.11247	1.3
241.10808	11.6
242.11224	0.8
248.65515	0.5
253.10883	1.6
255.12405	2.7
265.10724	0.6
271.08224	15.2
271.11169	0.9
272.08621	0.9
283.11865	7.6
291.12378	1.1
323.38519	0.4
325.12943	2.1
327.14450	0.8
343.13840	4.3
350.14206	0.7
385.15015	1.7
435.16565	24.0
436.16745	1.4
453.17648	100.0
454.18024	7.3
477.17627	3.5
495.18652	7.9
519.18781	0.9
537.19702	1.4
549.19769	1.0
597.21942	2.7
642.33759	0.5
707.25482	6.2
708.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
61.74252	2.6
61.87346	2.7
61.98825	29.3
71.01364	7.5
78.95924	3.1
80.96506	11.4
88.38644	3.4
89.02383	4.2
93.22036	3.0
94.98067	3.8
99.32617	3.2
101.02525	3.7
101.97654	3.1
112.07294	3.9
125.02456	4.1
141.93465	3.0
147.71162	2.8
173.64018	3.1
181.12352	3.2
185.11812	7.7
197.11772	3.9
201.11330	5.9
207.10307	16.1
209.09827	5.7
209.11816	100.0
210.12173	9.6
211.13406	26.9
225.11308	42.7
227.12875	23.9
229.40273	4.0
235.08308	4.4
243.12305	3.6
253.09285	9.7
346.26407	3.1
461.20422	27.0
521.82208	3.5
635.29816	3.6
653.31250	16.9
671.32611	23.9
699.93225	3.0
707.29779	73.8
708.31110	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	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46130	0.8
53.00298	0.9
57.03439	1.3
59.01374	10.4
61.71863	0.8
61.98828	34.6
69.03426	0.9
69.24438	4.8
71.01379	74.9
73.02929	2.9
78.91903	1.1
80.02695	1.3
81.03439	2.1
83.01402	1.0
83.05021	6.6
84.95190	1.1
85.02955	2.4
87.00876	2.1
89.02441	5.0
95.05003	1.7
97.02968	1.9
99.00880	2.0
101.02429	6.5
109.06601	6.3
110.03688	1.0
113.02434	4.0
121.06573	1.0
125.02451	2.0
125.09732	4.0
127.11320	2.5
135.08128	1.6
161.04585	1.8
163.11305	8.0
165.12836	2.8
169.01471	2.0
171.10263	58.9
172.10699	1.7
179.05682	1.4
181.08707	1.3
181.12297	2.2
183.10162	1.1
185.11852	1.8
191.10663	1.1
197.11899	1.4
199.09720	8.8
201.11317	35.6
202.11777	1.2
207.10271	16.8
209.11818	100.0
210.12166	6.7
225.11320	20.8
227.12827	12.4
228.13148	1.4
235.08313	4.5
243.12448	2.1
251.12997	1.3
253.09283	12.4
260.68033	1.0
383.24664	2.0
461.20316	4.2
572.40338	1.0
617.88000	1.1
628.87109	1.1
645.30975	2.0
671.32581	2.2
707.35162	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01977	0.8
59.01374	12.5
61.30550	0.9
61.98832	17.7
71.01379	69.0
73.02943	3.8
75.00884	0.9
78.91890	8.5
81.03452	1.8
83.05026	6.6
84.02123	1.2
85.02944	2.9
87.00881	1.8
89.02453	4.2
95.05029	1.4
97.02937	2.9
99.00883	1.1
101.02417	6.1
108.13606	1.0
109.06599	6.8
111.00922	0.9
113.02441	2.7
116.92873	1.6
117.88792	0.9
119.03488	1.2
119.23447	1.0
125.06075	1.7
125.09732	3.7
127.11313	2.9
135.08197	1.6
139.07683	0.9
139.11348	1.0
145.05095	1.1
155.10759	2.4
158.20877	1.0
161.04533	2.9
163.11288	7.8
165.12849	2.5
169.01445	1.2
171.10265	58.7
172.10612	4.0
181.08734	1.5
181.12297	1.7
185.11835	2.8
197.11845	1.7
199.09779	8.7
199.13390	2.8
201.11327	36.7
202.11606	1.1
207.10265	18.2
209.11824	100.0
210.12146	5.4
213.11230	1.3
215.12929	1.2
225.11337	20.8
227.12883	12.3
228.13240	1.5
235.08226	5.1
237.67355	1.0
243.12355	1.9
253.09276	16.0
254.09377	1.0
321.79770	1.0
383.24362	2.5
417.22702	1.5
443.19586	1.0
461.20251	4.4
479.21014	1.4
627.30713	1.5
689.34082	2.4
707.35742	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	708.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99574	0.6
54.52017	0.5
59.01363	1.3
61.98820	3.9
66.07969	0.5
69.90803	1.4
71.01351	0.9
72.26028	0.6
80.05058	1.0
81.03477	0.7
84.87829	0.6
94.02979	1.4
95.01357	0.8
107.01379	4.2
107.03741	0.8
107.05013	0.8
111.00867	1.9
117.03411	0.7
119.04963	0.7
120.69376	0.6
121.02950	1.0
122.06136	4.2
123.00867	3.7
123.04500	0.8
124.01659	16.6
125.02452	9.1
133.02928	1.5
134.03650	0.6
134.06104	1.3
135.04494	1.0
137.02406	3.0
138.05553	0.9
139.00336	1.7
139.04031	6.6
140.01167	1.6
145.02974	3.6
146.03787	0.7
147.00890	0.5
147.04517	0.9
148.04024	0.7
149.02454	1.7
152.01108	0.6
152.07190	6.1
153.07414	1.1
159.04578	0.8
161.02434	5.9
162.03255	3.5
163.00311	0.7
163.03975	3.0
164.01152	1.5
165.01958	4.5
166.99800	1.1
167.03435	0.7
168.00642	19.7
169.01396	6.3
171.10245	0.9
173.02408	2.2
177.01910	2.4
178.02690	0.7
178.99919	0.9
179.03450	0.8
181.01285	0.5
183.02983	18.7
184.03310	0.9
188.01161	0.6
189.01901	2.0
190.02713	6.7
191.03445	4.5
192.00647	7.5
193.01401	10.0
193.70811	0.6
194.01944	0.6
205.01439	4.7
205.05028	0.9
206.02190	5.7
207.02980	21.3
208.03275	0.7
209.11746	0.5
211.02477	8.6
215.03419	0.6
219.03004	1.0
220.03636	0.6
221.04533	1.0
222.01839	0.7
225.03973	0.9
229.09891	0.9
231.02899	0.8
232.00008	0.7
233.00851	1.6
234.01678	14.7
235.02451	16.7
239.11873	1.0
246.01668	1.7
247.02385	1.6
249.04041	6.3
255.11234	0.6
276.02823	1.0
277.03491	1.9
278.07065	0.7
279.07819	0.8
293.09256	1.3
294.03699	2.1
294.09821	1.0
295.04529	2.4
295.10742	1.0
300.99872	0.6
301.11859	1.8
303.12964	0.6
309.06119	1.7
319.12851	2.8
320.13458	1.0
356.87582	0.5
416.16376	0.8
433.93954	0.6
461.07190	2.0
479.08255	1.5
504.17432	1.4
518.19214	1.0
550.22021	1.5
551.22400	0.9
581.24170	0.8
599.25104	2.2
600.25549	1.5
643.24304	2.1
644.24414	2.3
645.10931	100.0
646.11304	9.5
658.25824	0.8
675.26825	5.3
676.27112	5.5
707.29272	1.2
708.29834	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	708.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.70662	0.1
78.91891	0.1
125.02457	0.2
129.37617	0.1
129.53407	0.1
132.65582	0.1
162.98230	0.1
171.10275	0.1
172.53046	0.1
190.56564	0.1
209.11867	0.2
218.35408	0.1
302.97913	0.1
536.33289	0.1
557.45386	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	709.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09550	1.3
59.01381	4.5
60.70601	1.3
61.98828	17.2
62.31618	1.4
71.01382	3.1
72.99289	1.4
78.95892	3.2
83.05033	3.3
83.35162	1.6
89.02438	2.7
92.50134	1.4
96.96001	11.6
101.02421	1.8
103.87371	1.3
111.88066	1.6
158.52565	1.7
161.04625	1.9
165.12802	2.5
171.10262	24.7
176.30704	1.3
199.13368	2.6
207.10289	4.4
209.11819	100.0
210.12164	5.7
211.13354	6.5
224.43561	1.4
225.11340	2.6
227.12891	27.3
228.13158	1.8
235.08214	4.3
249.60332	1.5
253.09258	5.8
270.07504	1.7
271.08344	1.7
273.66953	1.6
288.98996	1.3
292.71878	1.5
297.28461	1.6
419.25336	1.5
445.20624	7.6
463.21722	2.7
481.92914	2.0
578.31097	1.9
637.32227	6.7
655.33380	8.3
709.31464	24.0
710.31909	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87188	1.0
59.01381	9.0
61.98832	8.8
62.08644	1.0
71.01378	12.3
73.02950	1.4
81.03436	1.7
83.05016	2.2
85.02948	2.1
87.00883	1.3
89.02438	4.5
97.02956	2.6
98.21784	2.3
99.00903	1.8
101.02457	6.5
109.06580	19.1
113.02437	3.2
120.81051	1.0
121.84832	1.0
135.08162	2.7
145.05090	1.0
161.04544	2.7
161.09718	1.2
163.11333	9.0
171.10280	1.9
181.12318	2.3
183.13898	13.8
185.11790	1.8
193.12346	2.5
197.11853	1.1
199.09665	2.5
199.11383	1.2
207.10258	53.1
208.10547	3.5
209.11818	10.8
211.13391	100.0
212.13710	4.5
225.11319	32.4
226.11682	2.4
227.12854	1.7
228.80850	1.0
235.08220	6.8
249.14790	1.0
253.09293	11.6
262.32297	1.2
291.19711	1.1
309.20883	1.1
355.22833	1.0
373.23746	2.3
374.55881	1.0
383.22299	1.1
391.24771	3.6
401.23254	7.3
419.24176	3.7
443.18997	2.6
447.22549	2.2
461.20273	10.5
609.32452	2.4
637.32178	9.4
638.32513	1.3
655.33282	13.3
656.34039	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	709.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33912	3.2
52.44557	3.8
56.18145	3.2
59.01376	14.9
62.24919	3.5
71.01378	23.2
78.95874	6.5
89.02433	5.0
98.21889	9.8
98.30637	3.3
98.50175	3.6
101.02463	8.5
165.12886	5.9
171.10315	4.7
183.13893	53.1
197.11888	4.3
199.09753	16.7
201.11328	4.9
207.10268	11.6
209.11765	25.8
211.13388	100.0
225.11296	9.4
227.12885	10.0
229.10866	3.5
235.08167	14.6
253.09256	11.9
280.89536	3.6
293.21112	4.2
338.45932	3.9
375.21588	8.3
393.22913	4.5
447.22357	8.8
450.91104	3.6
463.22153	4.9
550.07080	4.0
611.30408	9.5
637.32959	10.4
655.33661	9.9
673.34430	11.0
709.32025	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.4
61.98828	41.7
71.01372	13.7
78.95903	2.1
80.04014	0.7
81.03468	1.2
81.04367	0.7
83.05011	2.3
85.02937	1.7
87.00877	1.6
89.02435	4.1
97.02937	2.9
99.00871	1.2
101.02436	3.8
109.06599	14.7
110.03698	0.9
113.02453	2.7
116.75587	0.9
119.03497	1.5
121.06654	0.8
125.09756	0.9
125.89289	0.7
135.08170	1.6
145.05019	1.2
152.99611	1.2
161.04533	1.9
163.11258	8.1
167.14394	0.9
171.10254	1.6
179.05540	1.1
181.08652	1.2
181.12308	2.8
183.13884	7.0
183.30125	0.8
185.11792	1.7
189.09291	1.0
193.12286	2.1
199.09697	1.3
207.10254	43.0
208.10579	2.7
209.11829	6.1
211.13388	100.0
212.13696	6.6
225.11304	23.4
226.11681	1.5
227.12785	2.3
229.57246	0.8
235.08191	4.0
243.12254	1.1
253.09212	11.7
321.17181	0.9
339.23050	1.3
343.06784	0.9
345.68610	1.4
373.23825	1.8
383.22284	1.2
391.25110	1.5
401.23190	5.6
402.23550	0.9
419.24335	2.4
443.19080	2.1
447.22556	1.7
461.20316	6.1
533.06171	1.0
637.32062	5.4
638.32629	1.3
641.73730	0.9
645.45056	0.9
655.33435	11.2
656.33984	5.8
673.34369	1.3
709.19269	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	709.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69663	6.3
57.45985	6.7
59.01337	7.7
70.74548	10.9
71.01372	8.6
73.11309	6.0
93.37240	5.7
109.06610	7.1
183.13965	6.2
199.09715	30.5
207.10265	15.5
209.11839	9.3
211.13411	100.0
225.11218	18.2
227.12749	7.4
253.09236	10.2
291.66446	6.5
390.75485	7.0
447.22470	14.4
655.33252	9.0
709.35284	30.7
710.35822	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61871	0.7
55.06969	0.7
59.01382	6.7
59.97836	0.8
60.65419	0.9
68.93153	0.8
69.92029	2.1
71.01367	5.9
73.02947	0.7
78.95927	1.7
83.05012	0.9
85.02940	1.3
87.00869	1.4
89.02463	4.0
94.89054	0.7
95.01410	0.9
97.06596	3.8
98.21899	0.9
101.02439	3.8
109.75629	0.8
113.02441	1.4
125.09719	0.8
130.91667	0.8
145.34058	0.8
151.11279	15.0
152.99603	0.9
159.86681	0.8
161.04527	1.0
169.12332	100.0
170.12677	4.1
170.73817	0.9
171.10190	1.2
195.10222	1.8
201.11261	0.8
209.11865	1.0
213.11296	11.1
214.11716	0.8
235.08273	2.0
253.09256	2.6
255.23038	0.9
277.21725	25.7
278.22083	1.5
431.19113	2.4
449.20132	5.0
473.18253	0.9
709.41589	79.2
710.41760	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
69.56132	8.5
71.01381	5.4
73.02950	2.3
73.99309	1.8
78.95901	3.3
89.02446	4.5
97.06595	6.1
101.02459	4.4
103.01505	2.5
111.63947	2.3
151.11282	16.8
152.99620	5.3
155.56299	2.3
169.12341	63.2
170.12688	2.6
171.10222	7.1
195.10303	3.4
201.11360	2.4
209.11819	2.4
213.11357	7.9
255.23325	2.5
277.21732	52.9
278.22079	3.2
288.74335	2.1
431.19211	2.9
449.20358	4.3
473.04333	2.2
709.41589	100.0
710.41699	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	710.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95274	1.4
59.01381	4.2
65.88223	1.4
69.84044	1.2
75.68429	1.3
85.52971	1.6
89.02447	1.6
113.02444	1.8
148.87781	1.2
154.95305	1.7
171.10262	88.3
172.10645	2.8
235.08244	5.5
253.09256	8.7
255.23442	1.8
277.21722	100.0
278.22055	6.6
338.60318	1.2
367.91885	1.3
464.93213	1.9
513.30365	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	710.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67844	0.9
54.93511	0.9
56.46655	0.9
58.15271	0.9
59.01370	2.1
60.65266	0.9
71.01385	2.1
78.95908	2.3
89.02419	1.0
91.83543	1.0
101.02414	1.6
124.00051	1.0
127.11243	1.6
152.58371	0.9
161.26892	0.9
165.57863	0.9
171.10265	100.0
172.10602	3.1
186.11395	1.1
201.11243	1.4
232.23813	0.9
253.09250	7.0
255.23184	1.6
277.21729	53.5
278.22055	3.9
366.01437	1.0
407.19141	5.8
446.58228	1.2
710.41418	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	711.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	11.3
61.77974	3.8
61.98825	21.5
66.32547	3.3
69.88522	8.1
69.88915	8.5
71.01357	9.9
82.95399	3.5
83.54148	3.3
93.76887	3.4
98.21895	5.6
124.48477	3.5
154.67111	3.5
163.11279	5.5
185.11772	3.5
186.35184	3.5
197.11826	99.0
198.12071	3.8
201.11421	5.7
207.10287	9.6
209.11832	100.0
210.12172	5.2
211.13419	55.7
211.85110	3.5
225.11258	8.2
227.12859	37.0
235.08443	6.5
253.09261	10.5
433.20752	13.2
445.20480	12.7
447.22058	8.9
519.40015	4.1
529.88861	3.9
582.29645	3.9
607.31500	5.4
625.32532	8.5
629.58099	4.0
639.33655	7.9
643.32947	4.7
655.34247	4.1
711.33252	54.8
712.34003	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	711.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
59.33226	2.1
61.98827	51.7
71.01372	3.8
71.12679	3.7
83.05006	3.1
96.40526	2.3
96.96005	6.9
112.28329	2.3
113.02386	2.3
125.54080	3.0
163.11336	3.5
171.10231	2.9
185.11841	42.5
186.12187	3.2
209.11827	100.0
210.12099	7.7
211.13411	37.0
212.87790	2.5
227.12894	28.7
235.08061	4.5
253.09222	5.6
332.99176	3.0
347.68106	2.4
382.52771	2.4
421.20627	5.0
429.20135	2.7
445.20749	8.9
447.22418	7.6
594.34015	2.9
613.32495	3.3
639.33508	7.2
711.33093	50.0
712.33795	8.3
741.71704	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	711.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
61.98820	1.1
71.01378	2.5
73.02951	0.6
76.86575	0.6
80.02628	0.8
81.03471	0.7
83.05014	4.1
84.02091	0.7
87.00851	0.7
89.02438	1.7
96.96015	0.8
98.21872	1.6
101.02434	2.2
107.15307	0.6
107.70963	0.5
107.79015	0.5
110.12565	0.6
113.02464	1.3
119.03468	0.7
135.08232	0.7
138.87285	0.7
161.04526	0.6
163.11285	3.1
165.12822	1.6
167.10785	4.6
168.63924	0.6
171.10211	0.6
183.10283	1.3
191.26701	0.6
193.77718	0.6
195.10226	1.4
203.18120	0.7
207.10185	0.6
209.11830	100.0
210.12210	5.9
211.13434	4.0
225.11342	1.2
227.12868	11.8
235.08284	2.9
247.17044	2.2
253.09274	9.2
265.18082	44.5
266.18436	2.3
283.35330	0.7
355.65912	0.6
445.20901	2.3
463.21979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51936	0.5
63.83803	0.5
83.80150	0.4
89.04520	0.5
133.06203	0.4
150.96635	0.4
171.67816	0.5
210.31500	0.5
225.16119	0.7
327.75931	0.5
677.49664	3.1
713.47327	100.0
714.47626	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	716.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73840	0.2
55.01859	0.2
59.01379	2.1
61.98835	1.5
66.08911	0.3
69.65368	0.5
69.65726	0.5
70.32543	0.2
71.01373	1.8
71.21306	0.2
80.02675	1.0
81.03455	0.9
83.01391	0.5
83.05027	4.0
84.02166	0.4
85.02924	0.3
87.00906	0.3
89.02432	0.9
95.01379	0.3
95.05028	0.3
98.21944	0.5
101.02438	1.6
109.06557	0.3
113.02444	1.0
123.00872	0.7
125.02430	1.1
125.06027	0.3
135.08183	0.4
161.04546	0.8
163.11284	3.5
164.11559	0.4
165.12851	1.7
169.01413	0.7
171.10213	0.8
173.61224	0.2
178.98730	0.3
181.12379	0.5
191.10806	0.8
199.13376	0.8
207.10251	0.5
209.11821	100.0
210.12132	4.6
211.13387	1.0
225.11191	0.5
227.12881	13.9
228.13190	0.7
231.03375	0.3
235.08237	1.7
247.13391	0.6
253.09261	5.5
260.03165	0.3
261.03836	0.3
445.20584	2.1
488.67111	0.3
500.71646	0.3
589.20508	0.3
638.32391	0.4
716.15405	1.9
717.15692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96399	0.3
59.01370	2.4
61.98828	100.0
66.03078	0.3
70.95785	0.5
71.01379	11.9
71.42551	0.3
72.99326	0.4
73.02926	0.4
75.00891	1.6
83.05023	0.6
85.02967	0.4
87.00887	0.6
89.02459	1.0
97.02972	0.5
101.02467	1.1
104.91145	0.3
109.06599	3.4
113.02464	0.8
135.08235	0.5
161.04630	0.7
163.11290	2.9
171.10295	3.6
172.10658	0.5
181.12338	0.7
183.13953	1.0
185.11928	0.7
193.12434	0.5
199.13448	0.3
201.11374	1.2
207.10257	9.2
207.12099	0.6
209.11803	5.7
211.13382	15.3
212.13757	0.9
225.11311	6.7
226.11627	0.6
227.12863	3.2
235.08194	0.8
243.12537	0.9
253.09221	2.9
299.15308	0.4
373.23993	0.5
383.22464	1.2
391.24982	0.6
401.23117	1.9
419.24661	0.8
420.24490	0.5
443.19467	0.5
455.78113	0.4
461.20206	2.2
479.21210	0.5
609.33887	0.7
637.32483	2.5
655.33447	2.8
656.33887	1.0
673.35291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.6
61.98829	38.4
70.65153	1.8
70.65491	1.2
71.01379	52.2
71.93436	1.1
73.02931	1.6
75.00851	1.1
83.05016	1.9
85.02960	1.9
87.00862	2.3
89.02453	2.7
97.02980	2.7
101.02447	5.3
109.06581	6.9
113.02438	3.2
120.36641	1.1
125.09798	1.4
145.05107	0.9
161.04535	3.0
163.11269	5.3
171.10257	7.0
172.10648	1.1
179.05618	1.4
181.12296	2.2
183.13889	7.8
185.11800	2.4
199.13464	3.5
201.11359	3.3
207.10262	26.4
208.10696	1.5
209.11815	20.1
210.12230	1.4
211.13390	100.0
212.13748	4.3
225.11330	20.4
227.12886	17.6
235.08212	8.2
242.80009	1.0
253.09283	11.1
337.24588	1.3
339.23297	1.4
365.21133	1.3
373.23886	3.3
374.25342	1.4
375.25186	1.4
383.22229	3.0
391.24826	2.6
401.23273	9.9
419.24179	2.9
443.19241	1.6
447.22354	3.7
461.20178	4.8
463.21780	3.4
543.47040	1.2
609.32239	1.4
637.32068	9.9
638.32208	1.5
655.33398	14.0
656.34009	3.4
673.34094	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	716.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76603	0.5
59.01371	4.4
61.98829	7.0
63.59932	0.5
65.40231	0.5
66.04391	0.5
69.03454	0.6
71.01379	14.0
73.02945	1.2
83.05001	0.9
85.02996	0.6
87.00875	0.8
89.02455	1.8
89.80408	0.5
92.89159	0.4
97.02933	0.6
101.02451	2.6
106.04344	0.5
109.06578	2.5
113.02462	1.5
119.03479	0.7
145.05138	0.6
155.10724	0.9
161.04512	0.6
163.11281	2.0
165.42842	0.6
167.14369	1.0
171.10289	2.6
183.13885	5.7
185.11794	0.8
193.12276	0.9
199.09697	3.8
199.13445	1.0
201.11230	0.8
207.10272	7.8
209.11818	4.9
211.13393	100.0
212.13733	2.2
225.11281	6.1
227.12794	3.9
235.08218	2.2
253.09264	4.3
279.59006	0.5
339.23212	0.6
373.23911	0.9
375.21808	0.8
383.22372	0.9
401.23254	1.3
409.61337	0.6
419.24527	1.1
429.21255	1.8
447.22336	11.5
461.20276	2.1
623.34589	2.3
637.32263	2.5
641.35797	2.6
655.33423	3.6
656.34070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38155	0.3
56.10320	0.2
59.01383	2.1
60.24269	0.3
61.98828	2.7
63.79832	0.3
71.01384	3.1
74.73073	0.3
77.00847	0.3
83.05054	0.4
85.02914	0.3
87.00879	0.4
89.02431	0.7
101.02435	1.2
109.06599	0.4
113.02451	0.6
119.03472	0.3
161.04524	0.6
163.11235	0.3
165.37735	0.3
171.10222	0.7
179.05544	0.3
183.13918	4.8
193.12347	1.2
196.22261	0.3
199.09718	0.9
199.13425	0.3
207.10274	1.7
209.11775	1.4
211.13387	100.0
212.13753	3.3
225.11327	1.5
227.12885	1.1
228.33730	0.3
235.08235	2.6
253.09319	3.3
401.23346	0.5
429.21173	2.5
447.22379	12.3
448.22797	0.8
461.19800	0.4
505.65488	0.3
529.85516	0.3
623.34296	3.4
637.31818	0.9
641.35504	2.9
655.33606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17514	0.5
58.67929	0.5
59.01379	5.9
61.98824	7.2
70.79246	0.8
71.01376	6.9
75.00864	1.2
75.72784	0.5
82.30314	0.5
85.04282	0.6
89.02450	1.1
101.02432	1.4
105.31400	0.5
113.02428	0.8
137.12947	0.6
161.04562	0.9
163.11360	0.7
171.10272	2.4
171.11723	0.5
174.72791	0.5
179.76909	0.5
183.13860	4.4
193.12354	1.0
207.10228	3.5
209.11838	2.3
211.13390	100.0
212.13710	3.2
218.26782	0.5
225.11337	3.4
227.12909	1.8
235.08223	1.6
253.09251	3.9
371.76852	0.6
401.23422	1.0
429.21066	2.2
447.22278	11.5
500.11612	0.6
563.06750	0.7
623.33850	2.8
637.32593	1.1
641.35443	2.2
655.33539	1.5
689.30298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53139	0.8
58.34568	0.8
59.01374	6.1
71.01379	4.6
85.02954	2.5
89.02453	2.0
89.54866	0.8
90.97137	4.9
96.52090	0.9
96.96035	1.8
101.02418	1.6
114.97128	1.8
116.98697	2.5
118.96626	13.7
119.03525	1.0
129.05600	0.9
132.98189	1.0
140.98730	3.0
143.00267	3.9
144.98126	1.2
146.96114	4.2
156.98167	4.3
158.99722	8.9
160.97676	3.4
168.98224	5.0
170.99722	2.5
182.99739	14.8
185.01299	10.3
186.99240	4.1
191.05563	1.4
192.18320	0.9
198.99229	1.0
199.28104	1.0
201.00786	8.0
203.02373	13.0
210.99237	2.6
211.02867	3.2
213.00839	3.4
217.00281	2.6
227.02406	12.3
229.00246	1.0
237.00790	1.9
243.01878	2.6
245.03374	13.6
253.03859	2.1
257.03418	1.8
259.04877	1.3
269.03394	1.4
271.05063	2.4
287.04373	1.3
297.06674	1.8
299.04483	1.8
315.07581	1.4
347.06619	24.9
365.03381	1.7
365.07632	21.5
407.08688	13.6
409.06693	2.1
433.10437	1.6
445.03366	3.0
459.11658	1.3
477.12766	17.1
478.13184	2.1
657.19208	100.0
658.19739	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	717.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29397	0.3
55.47079	0.3
59.01369	0.8
69.03434	0.4
69.09253	2.0
71.01371	2.5
73.02950	0.5
79.01872	0.4
81.03394	0.3
83.01392	0.5
83.64463	0.4
85.02937	1.4
95.01383	1.1
98.22672	0.6
99.00876	0.3
101.02434	1.2
103.52034	0.3
103.83305	0.4
107.01402	2.7
108.02184	2.3
109.02957	6.8
111.00871	0.6
113.02458	1.3
121.47355	0.3
123.00893	7.2
123.04578	0.5
123.58919	0.3
124.01673	5.3
125.02442	14.6
136.98816	0.6
139.00334	0.8
140.01167	0.8
141.01907	1.1
151.00363	5.9
153.01935	0.5
168.00626	2.2
169.01421	26.2
170.01709	0.4
181.10918	0.3
200.78589	0.3
209.55685	0.3
211.02534	0.7
251.85495	0.3
253.03493	0.5
313.05670	8.8
342.65210	0.3
358.86758	0.4
414.43497	0.4
423.09311	100.0
424.09695	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	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59259	0.3
56.25903	0.2
56.77628	0.2
59.01371	0.8
61.98829	100.0
62.20660	0.3
70.58326	0.4
71.01382	0.7
83.05042	0.7
86.82023	0.3
89.02445	0.4
101.02427	0.3
109.06633	0.3
113.02414	0.4
163.11278	0.5
165.12912	0.4
169.12329	0.6
171.10303	0.7
175.02419	0.3
197.11830	9.0
198.12210	0.4
207.10352	0.4
209.11819	14.7
210.12262	1.0
211.13416	1.9
212.13736	0.5
227.12875	2.2
228.13071	0.3
229.20024	0.3
235.08347	0.4
253.09308	0.8
259.29102	0.3
327.21887	0.4
413.80350	0.3
433.20834	0.5
445.20886	0.8
599.37152	0.3
625.32928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
70.96780	0.3
70.97099	0.2
71.01389	0.3
78.89502	0.2
110.92057	0.2
155.00391	0.2
197.11832	1.3
201.11307	0.5
209.11858	4.3
210.12250	0.3
211.13443	2.1
227.12947	0.7
253.09349	0.3
273.17123	0.8
305.27783	0.2
660.51825	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	718.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17550	0.3
56.89619	0.3
57.32429	0.3
61.98828	100.0
62.98540	0.3
65.82562	0.3
68.10381	0.3
70.91777	0.3
80.60795	0.3
83.61889	0.3
137.31390	0.3
155.86151	0.3
209.11908	0.6
211.13354	1.6
298.76346	0.3
583.33618	0.4
674.12329	0.4
730.93951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06969	0.6
56.73573	0.8
57.03442	0.8
59.01379	8.3
61.98829	56.2
67.38774	0.7
69.03455	4.0
71.01389	5.5
71.05019	2.0
72.58653	0.8
73.02926	1.3
80.02679	1.6
80.96494	1.0
81.03484	1.3
83.05027	6.5
84.02187	1.0
85.02943	1.7
87.00883	1.2
87.30490	0.7
89.02429	4.4
96.67582	0.8
97.02935	0.8
97.06588	1.5
98.22633	1.3
101.02435	4.5
102.89303	0.7
109.06650	0.9
112.17854	0.8
113.02425	2.6
119.03532	1.1
123.08183	1.7
125.06017	1.2
125.09717	2.6
151.11305	2.9
153.12840	1.5
161.04584	1.0
161.09656	4.3
163.11281	4.9
163.49146	0.7
165.12811	1.7
179.05605	0.9
179.10760	6.8
191.10762	1.2
197.11824	74.7
198.12193	3.1
209.11827	75.4
210.12225	4.2
215.95290	0.8
223.09818	1.4
227.12848	5.8
235.08110	1.1
241.10854	4.4
253.09286	4.0
262.44775	0.8
364.97937	0.8
477.19830	1.6
643.27264	2.0
644.28271	1.4
687.32300	100.0
688.32733	10.2
719.34991	30.8
720.35577	3.7
737.26996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85267	1.8
59.01382	10.3
61.98502	2.5
61.98828	39.6
66.33669	1.7
69.03479	1.8
71.01395	9.5
71.13902	1.6
81.03448	2.4
83.05013	10.6
85.02968	2.9
85.04121	2.1
87.99104	1.8
89.02429	2.3
93.24330	1.7
96.95985	2.2
98.21793	3.7
101.02434	7.3
103.21065	1.7
113.02432	2.8
161.04581	3.0
163.11290	5.0
165.12865	4.4
169.10971	3.6
169.12346	49.1
170.12698	3.5
182.95839	1.7
191.10844	1.9
197.11827	55.1
198.12088	2.2
209.11823	100.0
210.12135	7.2
227.12837	11.5
235.08240	2.0
253.09277	7.3
391.02765	2.0
687.32397	49.3
688.32959	7.8
719.35040	82.0
720.35095	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	720.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77187	0.1
61.98827	100.0
70.49136	0.2
90.15597	0.1
128.99551	0.1
132.27129	0.1
137.59259	0.1
151.40918	0.1
185.11885	0.2
192.96895	0.1
207.10211	0.1
211.13428	0.8
212.13728	0.2
285.82959	0.1
314.06448	0.1
316.88818	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	720.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98517	0.1
67.80552	0.1
70.50337	0.2
71.01404	0.1
94.84489	0.1
115.30421	0.1
147.58047	0.1
148.40196	0.1
153.14081	0.1
209.11896	0.3
211.13394	0.5
217.82831	0.1
259.15909	0.1
269.78772	0.1
298.33643	0.1
488.49692	0.1
525.06335	0.1
629.26776	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	720.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22929	0.2
54.47713	0.3
67.48098	0.3
68.23487	0.3
77.28204	0.2
81.03458	3.2
83.05021	9.4
84.05338	0.4
105.24660	0.3
122.00418	0.3
125.07154	0.9
131.73848	0.3
207.14954	0.7
224.17650	1.3
224.36838	0.3
225.16058	8.6
242.18765	0.3
302.13089	0.2
309.21799	0.4
324.26190	0.3
341.29233	0.4
367.26907	0.9
387.72903	0.3
433.31784	0.9
450.34506	0.9
451.32907	5.7
452.33453	0.4
550.43317	0.6
659.48560	1.4
677.49615	100.0
678.49908	13.9
720.49658	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	721.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21364	0.8
68.53092	0.9
69.03421	1.0
81.03437	1.3
88.98795	1.1
95.01418	0.8
97.02955	0.9
97.81450	0.9
98.72875	0.9
107.01366	2.4
117.03489	1.0
121.02979	1.5
123.00882	3.7
124.01682	7.1
125.02451	36.8
133.02908	1.4
135.04529	1.3
137.02434	1.9
145.02905	1.3
149.02444	1.3
151.04021	1.2
161.02414	2.9
162.03200	2.1
163.03973	1.6
165.01910	3.4
168.00638	5.4
169.01431	32.3
173.02458	1.2
177.01927	1.5
179.03511	1.0
183.02988	1.8
189.01857	1.7
190.02701	4.4
191.03503	1.9
192.00656	10.4
193.01410	13.8
194.02036	1.0
203.03642	1.1
205.01419	3.5
206.02246	4.5
207.02979	13.7
211.02524	10.1
220.03690	1.0
234.01694	11.3
235.02428	11.7
247.02399	1.6
249.03990	6.2
277.03510	1.3
295.04483	1.7
309.06189	2.3
313.05475	1.1
460.16223	0.9
479.08206	2.8
631.09338	100.0
632.09637	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	721.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43269	6.4
61.98831	100.0
65.36888	6.5
71.01368	9.1
71.20290	8.4
78.91889	69.7
79.30712	7.5
85.04226	6.6
126.58277	7.3
150.96049	7.6
168.72868	7.3
175.76242	7.4
176.00117	6.7
209.11864	10.6
211.13361	34.0
212.13692	15.5
223.13426	8.0
241.11981	6.6
255.23415	7.6
475.47186	7.1
721.34552	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	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	7.0
61.98829	100.0
71.01374	8.7
71.08431	4.2
72.08405	3.2
80.96500	3.8
83.05013	3.7
83.33207	2.6
89.02480	2.6
96.96029	5.5
99.00880	6.5
101.02472	4.2
125.09775	2.9
163.11320	6.4
165.12833	3.8
171.10265	7.4
181.12292	6.4
197.11844	6.1
199.13382	6.1
201.11368	2.9
207.10248	12.9
209.11829	66.9
210.12170	5.1
225.11340	19.3
227.12964	8.0
232.38501	3.5
243.12329	5.3
328.86084	2.9
578.33069	2.8
689.34027	28.1
696.48578	2.6
721.35999	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	721.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57640	0.8
57.03448	1.1
59.01377	16.3
61.85726	0.7
61.98828	15.2
64.71878	0.9
65.15181	0.7
71.01380	94.0
72.01724	1.0
72.21402	0.7
72.42574	0.8
73.02947	1.9
80.02680	2.8
81.03461	2.6
81.24939	0.8
83.01389	1.5
83.05037	7.4
85.02953	3.0
87.00870	2.2
89.02460	3.1
91.73368	0.8
95.05025	2.1
97.02926	3.9
98.22664	1.9
99.00884	1.6
101.02433	5.7
103.01489	6.4
107.05003	1.1
109.06583	11.1
110.03700	1.0
113.02459	3.0
117.40795	0.8
119.03479	0.9
121.06588	1.3
123.08173	1.0
125.06094	0.9
125.09727	2.5
127.11234	0.8
135.08138	2.4
140.85873	0.7
155.10846	1.1
161.04565	2.1
163.11275	10.0
165.12871	2.3
171.10281	15.4
175.02473	0.9
179.10825	0.8
181.08704	1.8
181.12274	4.8
182.85324	0.8
183.10258	3.8
185.11798	3.7
189.09285	0.7
197.11832	1.9
199.09773	1.1
199.13417	1.5
201.11359	6.6
207.10263	33.1
208.10551	1.1
209.11816	100.0
210.12123	6.1
211.13394	4.3
215.12892	1.0
221.11783	1.0
225.11301	25.8
225.13475	1.5
226.11597	1.1
227.12888	13.2
235.08220	3.3
243.12305	1.5
253.09302	8.4
323.98959	0.9
399.21756	2.5
412.36380	0.9
417.22754	2.8
443.18695	1.0
461.20282	6.1
462.20569	0.9
611.41730	0.8
635.30798	1.9
653.31598	2.7
671.32764	4.2
672.33636	2.3
689.33508	3.8
721.35876	1.5
725.67969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46037	0.3
69.29601	1.4
69.30004	0.7
71.01393	0.4
72.73642	0.3
82.64512	0.3
85.02954	0.8
93.03465	0.4
95.01394	0.7
96.95995	0.4
98.21918	0.6
107.01348	0.3
123.00882	1.4
124.64224	0.4
125.02459	0.7
128.09026	0.3
135.25148	0.3
139.00334	0.3
145.02934	0.7
147.24266	0.3
151.00386	0.9
157.02997	0.5
159.00876	0.4
169.01340	0.5
172.01672	0.7
173.02449	0.8
185.02464	1.7
187.00400	1.0
191.01973	0.9
191.05576	3.8
192.06004	0.4
199.00385	0.3
200.01173	0.4
201.01924	1.4
213.01936	0.4
214.99866	1.7
227.00006	0.4
228.00606	0.8
229.01396	2.6
242.99304	5.4
244.00038	1.2
245.00949	1.0
257.00888	1.2
270.98822	23.8
271.99274	1.5
282.98825	0.8
283.99570	2.3
285.00385	2.3
298.98318	51.1
299.99002	9.8
300.99881	100.0
302.00235	3.9
327.65533	0.4
337.09232	0.7
407.00385	0.5
421.07782	0.7
450.99414	4.7
590.75549	0.4
688.36279	0.4
723.08386	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	723.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64859	0.4
65.00307	1.9
66.80013	0.3
67.01907	0.7
69.21570	0.5
69.53968	1.6
87.00866	0.5
88.60966	0.4
89.14252	0.4
92.99821	0.5
93.03493	1.6
95.01394	1.4
107.01407	0.4
108.02207	1.1
111.00884	1.5
123.00905	1.1
139.00397	3.2
140.58296	0.4
140.92212	0.3
144.02176	0.4
145.02972	0.7
151.00409	0.8
157.02905	0.7
164.98274	2.3
171.00916	0.6
172.01622	1.0
173.02423	0.8
185.02419	2.1
187.00455	1.0
191.05611	7.6
192.05988	1.6
193.06114	0.7
199.00488	0.6
200.01208	1.8
201.01942	1.7
213.01941	1.7
214.99898	1.5
216.00745	0.8
226.99915	1.7
228.00653	1.2
229.01414	3.0
242.99365	4.6
244.00117	0.6
245.00903	0.9
254.99458	1.7
257.00815	1.9
266.02075	0.4
267.02905	0.5
269.00925	0.6
270.98834	18.5
271.99478	1.1
282.98865	1.5
283.99597	9.3
285.00397	37.7
286.00757	0.9
293.00824	0.5
295.02487	1.5
298.98325	28.9
299.99078	16.0
300.99887	100.0
302.00272	3.6
306.01709	0.9
307.02499	3.4
309.00299	1.0
310.98236	3.6
322.01141	0.6
323.02008	3.1
333.00281	0.5
335.01962	3.8
337.00156	0.4
348.99756	0.9
351.01468	2.9
363.01468	1.4
367.10266	1.7
376.99304	0.7
379.00674	1.3
407.00473	11.4
407.05850	0.7
408.00644	0.9
423.00049	0.5
432.98224	1.5
450.99426	34.0
451.99496	2.0
618.65143	0.4
723.08356	21.2
724.09088	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	723.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
60.41379	0.2
65.13094	0.2
66.19837	0.2
67.01894	0.5
69.03437	0.2
71.01376	0.7
71.45321	0.2
73.02947	0.3
78.95863	0.2
81.82983	0.2
83.05051	0.2
83.06415	0.2
85.02949	5.3
87.00878	1.3
93.03456	2.9
96.96000	0.6
99.04520	0.3
109.02924	0.7
111.04530	0.7
115.00359	0.2
119.05025	0.7
123.00877	0.5
125.02430	0.6
125.90630	0.2
127.03992	1.2
140.49159	0.2
145.02942	0.8
151.03922	0.3
155.03477	0.3
160.38858	0.2
163.03992	1.2
164.98264	0.2
166.99791	0.2
168.00525	0.2
169.01381	0.6
171.02974	0.5
173.04549	1.4
175.02431	0.3
191.05602	100.0
192.05945	3.2
192.11534	0.2
270.98810	1.2
283.99557	0.3
285.00348	1.4
286.01050	0.2
298.98331	2.2
299.99072	1.1
300.99878	6.7
302.00153	0.6
337.09265	26.1
338.09604	1.9
349.73178	0.2
400.47226	0.2
407.00385	0.4
448.47351	0.2
450.99301	1.6
451.99506	0.3
723.08588	0.6
727.44476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78436	2.0
54.53770	2.0
56.26297	2.2
59.01377	18.1
61.98830	45.3
71.01376	24.4
73.02962	2.3
78.91889	38.2
79.10433	2.3
79.65797	1.9
80.91678	3.1
80.96519	10.0
82.96149	2.6
83.05019	4.7
83.37738	2.0
84.02126	2.1
84.43653	2.0
85.02962	2.6
87.00862	3.5
89.02448	4.7
94.98078	2.3
97.02945	7.4
99.00855	2.8
101.02452	7.5
106.04358	2.1
109.06602	38.1
113.02468	2.2
125.09714	4.4
135.08209	3.4
136.05235	3.3
163.11255	20.3
171.10365	5.2
179.10754	2.7
181.12315	6.8
185.11848	4.1
192.12502	2.3
197.11957	3.1
205.08698	4.4
207.10255	100.0
208.10533	3.1
209.11804	29.7
210.12215	3.6
211.13449	6.3
223.09743	7.9
225.11305	47.2
226.11610	3.8
227.12868	4.7
235.08321	6.0
239.08180	2.8
239.13045	2.5
253.09305	13.3
263.12793	4.0
265.50305	2.1
272.34518	2.1
389.19434	3.0
415.21259	5.4
443.18924	2.9
461.20337	15.8
474.06329	2.6
489.25391	2.6
546.76385	2.3
598.30426	2.5
607.27826	4.1
625.28735	9.0
633.28778	3.3
651.30334	10.9
669.31433	12.2
670.31903	6.5
723.32074	23.0
724.34467	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56162	9.3
59.01357	9.3
61.28839	9.1
61.98831	100.0
69.74803	23.5
71.01418	10.1
78.95901	22.0
80.91681	23.4
98.21860	8.8
109.06619	12.1
152.99541	11.0
157.24524	8.8
162.49907	9.4
163.11226	13.4
178.10051	8.2
196.36441	10.2
198.78677	8.6
207.10242	35.2
209.11748	9.8
211.13387	52.2
223.13374	8.6
225.11322	30.0
461.20493	11.7
519.76636	9.1
637.32965	46.7
637.42352	11.7
655.33313	44.8
723.34015	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64785	0.6
59.01376	3.8
61.98830	4.7
71.01380	2.3
80.02689	1.0
80.26981	0.7
81.03442	1.3
82.95399	0.7
83.05016	4.2
89.02434	1.7
92.24313	0.6
94.92476	0.9
94.98096	0.9
96.96001	2.6
101.02432	2.3
113.02444	1.3
123.00932	0.6
125.09740	1.0
127.11282	1.0
129.52014	0.6
161.04558	1.9
163.11304	2.4
165.12878	1.4
171.10265	1.9
181.08687	2.0
191.10794	1.0
199.09738	1.1
201.09468	1.1
201.11331	21.6
202.11760	1.6
207.10225	0.7
209.11823	100.0
210.12221	3.8
225.11325	0.8
227.12889	13.2
235.08211	2.9
253.09283	8.9
300.99908	0.9
378.79065	0.7
437.19885	1.4
445.20670	4.9
629.31610	1.1
637.32550	0.9
662.32343	0.7
687.32874	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80790	0.1
55.01870	0.2
58.00586	0.1
59.01376	3.3
70.49397	0.1
71.01376	1.9
71.04986	0.2
72.99313	0.1
73.02939	0.3
80.02670	0.9
81.03448	1.0
83.01377	0.4
83.05024	4.3
84.02159	0.5
85.02951	0.6
87.00861	0.3
89.02444	1.8
95.01366	0.3
95.05030	0.6
97.02920	0.2
97.06604	0.2
97.22130	0.1
101.02431	1.7
109.06589	0.2
110.36621	0.1
113.02455	1.1
119.03483	0.5
125.02422	0.1
125.06067	0.4
135.08133	0.5
143.03477	0.2
147.11758	0.2
161.04587	0.8
163.11288	3.1
163.45392	0.2
164.11481	0.2
165.12846	2.0
179.05643	0.5
181.12331	0.6
191.10783	0.8
199.13396	0.2
203.18118	0.1
209.11824	100.0
210.12154	5.6
211.13295	0.3
218.44890	0.1
227.12885	10.2
228.13289	0.6
235.08232	1.2
253.09273	6.9
253.11986	0.2
254.09669	0.3
277.21722	46.1
278.22058	4.2
278.25156	0.2
293.21320	0.1
363.00488	0.1
445.20718	0.9
446.21280	0.2
463.22052	0.2
469.33517	0.1
522.84381	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
58.53666	0.2
59.01378	4.8
70.95141	0.3
71.01379	3.3
71.01783	0.4
73.02931	0.9
77.16965	0.2
77.44376	0.2
80.02668	0.5
81.03438	0.8
83.01376	0.4
83.05025	3.5
84.02166	0.4
85.02938	0.8
85.75232	0.2
87.00865	0.9
89.02455	1.9
93.82910	0.2
95.05004	0.5
101.02435	2.7
113.02451	1.3
119.03501	0.6
125.06028	0.5
135.08171	0.5
143.03455	0.2
145.05057	0.5
158.22408	0.2
161.04572	1.5
163.11293	2.7
165.12866	1.5
179.05498	0.4
181.12296	0.6
191.10796	0.8
199.13434	0.5
209.11823	85.7
210.12144	4.5
211.13379	0.6
227.12877	10.9
228.13286	0.5
233.22865	0.3
235.08220	5.9
253.09277	9.9
254.09569	0.3
277.21716	100.0
278.22052	8.7
278.25153	0.4
293.21280	0.3
301.00333	0.2
390.26517	0.2
445.20779	0.9
513.30383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.5
59.01373	6.1
69.03487	0.5
71.01376	4.4
73.02934	0.8
77.12193	0.5
83.01392	0.6
83.05029	1.3
83.05577	0.4
85.02938	1.4
87.00854	0.6
89.02456	2.6
101.02422	4.0
113.02441	2.3
119.03493	1.2
137.65073	0.5
143.03502	0.7
157.61935	0.6
161.04549	2.3
163.11311	1.0
165.12827	1.2
179.05592	0.6
183.13904	7.2
185.55672	0.5
193.12250	1.4
195.13922	5.1
196.14626	1.5
199.13345	4.3
209.11815	26.3
209.50096	0.6
210.12155	1.4
211.13380	100.0
212.13718	5.3
223.13344	3.1
227.12872	14.8
229.14392	0.5
235.08189	4.5
240.17802	0.5
253.09268	16.4
275.20090	3.9
277.21707	24.8
278.22092	1.8
293.21210	56.4
294.21490	4.8
312.15952	0.5
445.21033	0.7
447.22339	5.5
448.22525	0.6
463.21701	2.8
469.33563	0.6
487.33975	0.6
529.29883	1.2
618.01025	0.6
723.43958	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10711	0.3
55.01891	0.3
59.01376	4.9
60.90203	0.3
70.95493	0.3
71.01381	2.9
73.02936	0.7
80.02676	1.2
81.03440	0.9
83.01405	0.5
83.05029	4.0
84.02134	0.6
85.02917	0.6
87.00871	0.6
89.02448	1.7
95.05032	0.7
97.02979	0.3
101.02435	2.5
109.18457	0.3
113.02419	1.4
113.06079	0.4
119.03504	0.8
125.06016	0.4
135.08147	0.5
138.03378	0.3
142.10776	0.3
145.05031	0.5
149.82167	0.3
161.04535	1.0
163.11287	3.6
165.12849	1.9
179.05559	0.7
181.12428	0.6
191.10800	0.6
199.13368	0.3
207.10277	0.6
209.11823	100.0
210.12140	5.1
225.11313	0.7
227.12880	12.6
228.13231	0.6
235.08226	3.1
253.09299	9.7
254.09503	0.4
275.19931	0.5
277.21713	74.5
278.22009	5.5
279.22577	0.4
294.13498	0.3
445.20593	1.3
463.21890	0.3
463.54141	0.3
574.73730	0.3
582.57495	0.3
603.48206	0.4
723.42889	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	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68616	3.1
59.01373	6.0
61.98818	6.7
69.07619	21.7
75.89523	2.9
82.95444	3.4
110.83154	3.4
158.54324	2.9
163.11273	3.2
175.74875	2.9
183.13727	3.0
185.25125	2.9
207.10228	2.9
209.11807	84.5
210.12105	4.1
211.13391	100.0
212.13774	7.9
227.12900	22.1
235.08328	6.9
253.09299	9.6
340.11008	3.2
402.93170	3.4
445.20691	8.1
447.22260	15.5
465.22754	3.2
621.32336	4.5
639.33740	11.1
657.34827	5.2
725.35260	56.9
726.35730	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	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
61.98826	3.8
65.12605	1.1
65.32232	1.3
67.33054	1.4
71.01375	5.3
74.55700	1.2
87.00893	1.7
89.02441	2.2
91.30730	1.4
97.06571	7.2
101.02443	2.7
149.15860	1.2
151.11282	15.2
161.04460	1.3
169.12337	44.2
169.13808	2.2
170.12653	2.1
171.10272	9.4
195.10321	1.7
195.13861	6.6
213.11307	5.3
223.13327	4.1
235.08177	2.2
253.09309	4.4
256.12732	1.2
264.40314	1.2
275.20206	1.7
293.21210	25.8
294.21445	2.6
380.78870	1.2
431.19522	1.7
449.20157	2.1
646.66833	1.4
725.41138	100.0
726.41333	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	727.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00299	1.1
67.01871	2.2
68.39068	0.7
69.03445	2.4
71.01373	2.1
79.01900	1.4
81.03458	2.9
83.01405	0.8
87.00894	1.7
89.05505	0.8
95.01390	7.5
97.02943	3.6
98.21806	2.0
107.01390	12.9
107.02048	1.3
108.02200	4.0
109.02940	5.1
111.00867	3.3
119.05012	1.0
122.99975	1.4
123.00883	25.6
124.01667	19.9
125.02444	95.9
126.02779	2.2
127.00333	1.3
136.98811	2.3
139.00383	4.3
140.01198	4.8
141.01985	3.5
145.02933	0.8
147.04504	0.9
149.02426	0.8
151.00369	5.2
151.04051	0.9
153.01865	1.0
161.02373	0.8
163.03969	1.4
166.99861	5.7
168.00630	12.4
169.01418	100.0
170.01765	2.6
175.04041	1.1
179.03589	0.9
193.01213	1.5
193.04991	0.9
207.03023	1.1
211.02512	1.4
222.76173	0.8
223.02419	0.9
249.03941	1.6
279.05008	1.1
295.04526	3.5
297.06226	1.2
313.05624	7.3
314.06244	0.8
387.07297	1.0
405.08337	6.3
423.09326	9.6
465.06729	2.6
470.46951	0.8
557.09314	19.1
558.09698	2.1
575.10431	33.3
576.10419	2.8
615.93481	0.9
727.11499	85.5
728.11896	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	727.1148
Annotation	hyemaloside A
Peak:m/z	Relative Intensity
58.59086	1.0
67.01884	2.3
69.03448	1.9
69.27728	1.2
69.27993	6.0
70.30383	1.0
71.01370	4.1
73.10722	0.9
76.09930	1.0
78.01107	1.1
79.01871	1.5
79.61559	1.1
81.03449	2.6
85.02971	1.1
95.01373	7.9
97.02936	4.2
107.01374	12.1
108.02159	3.7
109.02945	5.2
111.00896	3.1
113.02447	1.6
123.00883	28.8
124.01663	25.4
125.02446	96.7
126.02827	1.8
127.00411	1.2
136.98787	1.3
137.02425	1.6
139.00372	4.8
140.01138	4.0
141.01939	2.9
151.00349	5.4
153.01968	1.1
161.02420	2.1
163.03938	1.6
166.99867	7.6
168.00658	11.5
169.01424	100.0
170.01787	2.0
177.01984	1.5
179.03369	1.9
181.01413	1.4
188.01506	1.0
193.01485	1.7
211.02469	3.1
249.03850	1.2
279.05011	2.3
285.83026	1.3
295.04572	3.6
313.05719	13.3
351.79892	1.3
405.08289	5.5
423.09195	3.9
465.06631	8.7
480.08249	1.8
557.09357	24.7
558.09399	2.7
575.10345	47.5
576.10870	3.3
727.11499	77.2
728.11737	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	729.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37033	0.1
66.92296	0.1
69.28458	0.2
69.28839	0.5
79.95731	3.7
92.10721	0.1
96.96009	100.0
97.95931	0.3
124.01666	0.2
125.02467	1.1
137.02446	0.1
145.02965	0.1
146.54521	0.1
166.99823	0.1
168.00616	0.1
169.01393	1.3
186.79625	0.1
191.03578	0.1
192.00618	0.3
193.01434	0.4
206.02266	0.2
207.02977	0.6
211.02492	0.4
234.01762	0.4
235.02477	0.5
249.04156	0.2
326.91370	0.1
407.07825	0.2
517.02863	0.6
525.34918	0.1
631.09344	4.2
632.10065	0.4
669.04077	0.9
752.69495	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	729.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.4
59.01376	2.8
62.95635	0.6
69.03445	1.2
69.33679	2.6
71.01376	1.6
81.03461	2.4
83.01379	3.1
85.02975	1.0
89.02438	1.1
93.03421	0.8
95.05004	1.4
97.02935	2.9
98.22675	1.2
101.02437	0.6
107.01401	1.1
107.05036	1.2
109.02950	15.4
113.02465	0.6
117.03476	0.9
121.02958	3.0
123.00863	1.4
123.04522	8.0
124.01654	1.0
125.02444	100.0
126.02756	1.9
131.05017	1.2
133.02943	3.7
135.04504	3.7
137.02444	16.3
139.04021	1.8
145.02953	5.5
146.03741	0.9
149.02455	4.3
150.03195	1.2
151.00352	0.9
151.04001	10.4
159.04539	4.3
160.05243	0.9
161.02441	22.4
161.06073	4.8
162.03188	1.2
163.00375	2.0
163.04070	3.3
164.01178	3.3
165.01935	3.6
166.99843	0.7
167.03484	0.8
169.01430	26.0
173.02383	0.8
173.06033	0.9
174.03076	0.8
175.03996	8.7
176.01237	0.7
177.01917	9.3
177.05516	1.3
179.03485	4.2
181.12366	1.3
183.04498	1.2
185.06084	3.0
187.03973	5.2
188.04716	2.4
189.01965	1.1
191.05612	3.1
193.01463	2.3
197.05968	0.6
199.04004	2.3
200.04791	0.8
201.01904	0.7
201.05574	2.4
202.06308	1.6
203.03424	1.3
203.07149	7.4
205.01421	2.2
205.05101	6.0
211.04057	1.3
212.04878	0.7
213.05569	1.2
214.02798	0.8
215.03406	1.1
217.05008	3.1
219.02997	2.4
221.08229	1.5
225.05521	1.0
225.11263	3.1
227.03531	2.5
227.07172	2.1
228.04138	0.8
229.05038	4.1
230.05678	0.8
237.05499	0.9
241.05002	1.2
243.02983	7.8
243.06636	1.1
244.03496	0.8
245.04488	6.1
245.08170	13.1
253.05017	2.7
255.02965	10.8
256.03665	5.1
257.04520	2.6
269.04626	3.2
271.06107	9.5
273.03949	1.5
281.04495	2.9
282.05026	0.8
283.02518	2.2
285.04001	5.8
286.04761	0.7
287.05588	8.0
289.07172	56.3
290.07532	2.7
297.04071	1.8
297.07443	1.0
298.04626	1.2
299.05643	2.7
303.04956	3.3
321.07339	0.9
329.06870	0.7
331.08389	0.8
339.08737	2.6
363.08603	1.3
381.09607	1.4
389.06644	5.1
405.17584	3.6
407.07693	91.4
408.07965	7.5
425.08688	7.0
433.09247	5.4
441.08255	17.2
442.08484	1.4
447.18652	1.4
451.10260	17.0
452.10388	1.7
467.09756	1.0
484.63739	0.6
533.14276	0.9
541.11462	0.7
559.11444	6.3
567.23267	1.5
577.13824	13.1
578.14233	1.3
603.11548	5.0
729.14545	7.2
729.28296	2.4
730.14905	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	729.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14978	1.0
57.03455	8.3
59.01379	4.0
67.01893	1.5
69.03463	1.8
71.01388	2.4
73.97980	0.9
81.03474	1.1
83.01395	2.7
85.02950	2.0
89.02457	2.8
93.03464	4.7
95.01400	2.0
95.05065	1.3
96.96030	2.5
97.02968	3.5
101.02446	2.4
102.61137	0.9
107.01413	2.5
108.02147	1.5
109.02961	14.0
113.02478	2.3
121.02957	2.5
123.00884	4.8
123.04530	8.6
124.01685	1.4
125.02447	100.0
126.02795	2.9
133.02983	3.8
135.04523	2.8
137.02438	13.9
140.22565	1.0
145.02943	2.3
149.02432	3.5
151.04053	8.4
153.01920	2.1
159.04521	3.6
160.04967	0.9
161.02441	20.7
161.04590	1.5
161.06071	2.1
163.00351	1.8
163.04039	4.0
164.01181	3.6
165.01921	4.1
166.99782	1.3
169.01424	40.2
173.02580	0.9
173.04538	1.3
175.04008	6.7
175.07698	1.1
176.01178	1.4
177.01921	2.8
177.05684	1.2
177.67493	1.1
179.03557	2.3
179.05557	2.9
181.12398	5.1
185.02649	1.0
187.03975	4.5
188.04794	1.6
191.05602	16.3
197.06064	1.6
199.04033	2.2
201.01936	1.5
201.05702	2.2
203.03426	1.7
203.07123	4.0
205.01234	1.1
205.05045	5.5
212.04762	1.4
213.05672	1.9
217.04982	2.2
224.19620	1.0
225.05580	2.5
225.11317	10.7
227.03505	2.0
227.07167	1.4
229.01479	1.2
229.05042	1.8
231.02953	2.0
231.06560	1.4
241.05057	2.0
243.02959	2.2
243.06686	1.2
243.12350	3.4
245.04549	6.3
245.08179	7.3
253.05000	2.3
255.02931	5.2
256.03714	2.8
257.04688	2.1
259.77295	1.1
269.04529	16.7
270.05060	1.5
271.06100	3.1
273.04016	2.5
275.02023	2.1
281.04568	4.2
283.02515	1.5
285.03979	2.8
287.05609	13.7
289.07178	24.4
290.07550	1.7
299.05609	4.6
299.99051	1.0
300.99872	9.9
302.00275	2.5
303.05203	2.8
311.05402	1.5
313.03296	1.8
329.02939	1.4
339.08609	2.6
363.08673	1.7
367.10379	3.0
381.09790	1.2
387.16458	2.3
389.06564	1.2
405.17703	7.5
407.07715	41.4
408.07974	3.9
425.08792	19.4
426.09012	1.9
433.09225	9.3
437.08807	3.2
439.06961	1.9
441.07898	1.5
449.08926	3.2
451.10239	9.8
466.02524	1.4
467.03632	1.5
467.53781	1.7
468.04266	3.9
515.13593	1.1
541.11365	3.2
559.12451	15.5
560.13391	2.5
567.22162	1.8
577.13611	27.8
578.13879	4.1
603.11328	1.7
729.14618	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	729.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23758	0.3
59.01376	0.8
69.27922	1.5
82.03732	0.3
83.05011	0.4
85.02947	3.2
87.00865	2.0
93.03459	3.1
95.01379	0.4
109.02942	0.4
111.04521	0.8
117.60980	0.4
123.00896	0.9
125.02422	1.0
127.03995	1.0
133.02943	2.7
134.03754	5.1
135.04523	22.0
136.98558	0.7
137.02448	0.7
155.03462	0.4
157.05058	0.8
161.02434	12.9
163.82143	0.3
164.20363	0.3
166.99680	0.5
169.01360	0.8
171.02882	0.4
173.04558	1.0
179.03488	19.6
180.03792	0.9
189.01675	4.5
191.05600	39.1
192.00648	0.8
192.05911	3.2
193.06033	0.5
194.02213	0.5
201.01692	13.0
215.03305	0.7
249.04039	0.4
275.02029	0.9
299.99088	0.5
300.99979	2.6
302.00204	1.1
327.07202	1.3
353.08658	2.5
354.09167	0.7
375.06943	100.0
376.07239	3.6
407.07755	0.4
567.13306	3.3
578.42590	0.3
729.16595	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	729.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01082	1.2
59.01381	5.4
61.98829	2.6
69.03450	2.0
70.49518	1.0
71.01380	3.3
79.13319	0.9
82.95396	1.4
83.05022	5.0
85.02929	1.2
87.00908	1.0
89.02457	3.2
97.06568	1.1
101.02442	1.8
108.76991	0.9
109.06602	1.2
113.02470	2.0
116.92838	1.3
122.41343	1.1
125.06067	1.5
129.64886	0.9
161.04555	1.8
163.11296	3.1
165.12805	1.8
179.14413	1.5
195.13921	3.1
197.11839	1.1
201.11298	12.3
205.12317	3.6
207.10291	1.8
209.11823	100.0
210.12202	5.1
211.13545	5.9
212.13818	1.1
223.13376	47.3
225.11383	1.6
227.12881	14.1
228.83478	1.1
232.76004	1.2
235.08182	2.5
253.09320	10.5
261.15036	1.1
265.18033	1.7
309.20651	4.7
330.13324	1.0
353.97260	1.0
441.21097	1.2
445.20615	2.8
459.22357	3.4
651.33606	2.9
714.04590	1.0
729.36273	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59958	0.3
61.98829	100.0
64.34297	0.2
72.12363	0.3
76.52667	0.3
91.68745	0.3
98.21878	0.6
126.79610	0.2
130.49702	0.2
162.53972	0.2
171.10345	0.4
183.19467	0.3
357.90491	0.3
506.09570	0.3
509.42569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.9
61.98832	15.7
66.59734	6.8
108.90027	7.1
117.60072	7.1
126.35619	6.3
144.74495	6.7
152.71237	6.2
181.08713	75.4
199.09737	12.0
202.03288	7.6
203.21509	6.5
219.84273	6.6
235.08212	13.3
244.08998	6.7
277.21707	100.0
419.76724	7.4
505.07251	9.8
613.53259	7.9
731.37622	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	732.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28304	0.2
58.42519	0.2
59.01376	1.1
61.98828	100.0
71.01382	0.5
72.99303	0.3
75.00882	0.5
81.03457	0.3
83.05029	0.8
89.02445	0.5
98.21870	0.4
101.02462	0.7
113.02443	0.4
161.04568	0.2
163.11269	0.5
165.12822	0.5
171.10307	0.4
181.12323	0.2
183.13918	1.3
207.10234	0.2
209.11823	21.0
210.12140	0.7
211.13390	28.3
212.13690	1.1
225.11278	0.2
227.12874	3.1
235.08139	0.9
253.09283	1.7
445.21103	1.1
447.22269	3.6
621.32220	0.3
639.33734	0.7
762.35657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83492	0.5
59.01375	3.5
61.98826	23.6
70.98878	0.6
71.01363	2.7
71.51507	0.5
73.02927	0.7
75.00867	1.2
79.95667	0.5
80.02660	0.7
81.03421	0.8
83.05017	3.5
85.03004	0.5
85.61934	0.5
87.00881	0.6
89.02443	1.9
97.02960	0.6
101.02450	2.5
113.02452	1.5
125.05971	0.5
143.03490	0.5
161.04538	1.3
163.11330	2.7
165.12856	1.8
168.02551	0.5
171.10204	1.2
179.05568	0.7
183.13892	5.9
191.10825	0.7
193.12299	1.4
209.11823	100.0
210.12157	5.0
211.13387	93.3
212.13710	5.4
225.52982	0.5
227.12866	16.6
228.13176	1.1
235.08141	2.5
249.14954	1.1
253.09267	7.7
254.09761	0.5
317.85110	0.6
364.72073	0.6
407.15979	0.6
429.21356	1.2
445.20706	4.7
446.21378	0.6
447.22324	6.7
448.23038	1.0
463.21967	1.0
572.76593	0.6
621.32642	1.3
639.33606	1.8
641.23138	0.9
657.35162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.1
61.98824	11.5
69.03437	0.4
69.69458	0.4
69.81886	0.4
70.75664	0.8
71.01376	2.6
73.02946	0.6
75.00867	0.5
80.02676	1.1
81.03453	1.0
83.01345	0.6
83.05025	3.9
84.02146	0.8
89.02436	2.6
95.05024	0.9
101.02435	2.3
113.02436	1.4
135.08139	0.7
145.25664	0.5
159.23892	0.4
160.71382	0.4
161.04538	0.7
163.11259	3.0
165.12827	1.9
167.14447	0.7
171.10289	1.0
183.13882	4.3
191.10677	0.5
193.12379	1.2
209.11816	100.0
210.12137	3.2
211.13383	74.9
212.13774	2.8
225.11375	0.6
227.12869	14.8
228.13229	1.0
235.08192	2.9
249.14854	0.5
253.09230	7.4
298.70969	0.5
327.06750	0.5
359.90097	0.5
362.83249	0.4
420.82880	0.5
429.21133	1.2
445.20709	5.3
446.21027	0.4
447.22385	5.3
448.22510	0.7
463.21890	0.6
514.85925	0.5
555.59900	0.5
612.17981	0.5
621.33069	1.2
639.33868	2.0
725.44067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88639	0.3
59.01396	0.7
63.89909	0.4
69.09808	1.8
69.10223	0.9
71.01380	1.6
73.02944	0.9
79.01903	0.4
82.00618	0.5
83.01377	0.7
85.02934	1.2
95.01369	0.8
97.02911	0.5
98.21793	0.7
101.02459	1.1
101.23144	0.4
103.58106	0.4
107.01362	2.1
108.02180	2.5
109.02957	7.5
111.00863	0.5
113.02439	1.0
123.00881	7.7
124.01653	5.6
125.02448	15.8
136.98851	0.4
139.00336	0.8
139.65678	0.4
140.01152	1.0
141.01924	1.0
151.00377	6.0
159.50021	0.3
161.04636	0.5
168.00587	2.2
169.01411	23.1
170.01790	1.0
172.98088	0.4
182.94347	0.4
253.03493	0.6
286.43024	0.4
313.05637	7.1
423.09314	100.0
424.09653	8.2
491.49136	0.5
504.30209	0.5
750.35437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03437	1.2
59.01374	12.0
61.98829	8.9
69.03459	1.6
69.31040	6.4
71.01373	22.3
73.02943	9.3
81.03447	1.9
83.01387	2.8
85.02945	20.1
87.00901	1.8
89.02435	2.9
93.03474	2.1
95.01387	3.1
95.05035	4.8
96.96011	1.6
97.02970	2.6
99.00864	2.7
99.83303	1.1
101.02444	10.1
103.01498	6.8
106.04217	1.6
107.05031	8.4
108.02171	100.0
109.02953	91.2
109.06581	1.8
110.03257	1.8
113.02444	9.2
121.02943	3.1
123.00912	2.6
123.04545	3.5
125.02436	3.3
133.02969	1.4
134.03745	2.1
135.04526	14.5
135.08249	1.3
143.03510	2.3
145.05069	6.1
150.03210	1.8
151.03987	7.7
159.02986	3.3
161.04550	35.5
161.09666	1.4
163.04015	2.6
163.11290	13.3
165.05515	1.3
181.12326	18.3
185.73055	1.1
207.10242	5.1
209.11835	5.6
225.11314	18.6
228.13043	1.3
231.10220	2.7
247.79997	1.1
249.11301	2.5
271.08231	25.2
351.14407	3.5
369.15338	1.6
417.19379	2.9
461.18146	80.6
462.18527	4.6
479.19205	39.0
480.19464	2.6
521.20459	2.2
673.26215	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	733.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14311	10.2
61.83670	9.4
61.98816	10.6
64.19987	10.9
70.34448	23.3
80.67936	10.0
82.57259	9.0
85.18891	9.1
87.09177	9.7
95.59733	8.9
114.84909	9.2
147.03865	9.8
150.46147	9.1
153.22829	11.3
154.72598	10.1
188.43887	8.9
209.11819	100.0
227.12878	21.2
251.20174	84.8
314.70660	10.7
327.01102	10.7
339.72983	10.7
535.13446	9.7
733.39209	39.1
761.82208	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	733.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.1
61.98819	0.9
69.03457	0.3
71.01378	3.1
73.02909	0.4
75.37419	0.2
83.05037	0.4
85.02972	0.2
87.00885	0.5
89.02444	1.0
101.02441	1.2
109.06597	0.5
110.43700	0.2
113.02429	1.0
119.03458	0.4
143.03508	0.2
147.39813	0.3
151.00562	0.2
161.04543	0.6
163.11349	0.2
167.14403	0.7
171.10262	0.4
179.05656	0.3
183.13892	6.7
185.99026	0.3
193.12395	1.4
199.09862	0.3
201.11295	0.3
207.10205	1.5
209.11778	1.0
211.13388	100.0
212.13737	3.9
224.41315	0.2
225.11243	0.8
227.12892	0.6
235.08252	1.3
253.09268	3.7
401.22986	0.3
405.26648	0.3
429.21152	2.0
447.22348	10.5
448.22540	0.9
461.20291	0.3
597.32074	0.5
623.34271	2.5
624.35394	0.3
637.32568	0.4
641.35321	1.8
642.68927	0.3
650.01727	0.3
655.33173	0.6
695.43610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88475	0.2
59.01377	0.9
61.98827	100.0
68.52731	0.2
71.01414	0.3
72.15653	0.2
78.91932	0.2
82.95425	0.2
85.00417	0.4
103.01497	0.6
111.14202	0.3
116.92896	0.3
128.83110	0.2
159.06308	0.2
163.11311	0.2
171.10255	0.3
197.11827	0.5
199.13393	0.4
200.01210	0.2
209.11818	3.1
209.13663	0.2
210.12115	1.3
211.13501	0.4
227.12918	1.1
228.13263	0.4
253.09328	0.3
273.17178	0.3
334.96866	0.2
336.84232	0.2
445.21390	0.2
475.14874	0.2
481.55875	0.2
629.68958	0.2
645.07251	0.3
661.46210	0.2
734.38031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
71.01388	0.2
78.91868	0.1
82.23623	0.1
83.25458	0.1
93.93709	0.2
96.96072	0.2
103.01527	0.2
122.24197	0.1
177.61053	0.1
197.11823	0.3
199.13522	0.1
207.10222	0.2
207.73038	0.1
209.11815	1.3
210.12149	0.4
211.13417	0.6
227.12892	0.4
753.27130	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	735.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82885	0.2
59.01372	1.7
63.70467	0.2
67.01875	0.3
68.39862	0.3
69.03450	0.3
69.35123	1.2
71.01369	0.9
83.05025	0.4
85.02943	5.7
87.00880	1.6
92.76286	0.3
93.03458	3.5
95.01427	0.3
98.22710	0.3
107.01376	0.3
107.04159	0.2
109.02918	0.5
111.04494	0.8
125.02431	1.1
127.04005	1.8
134.03726	1.5
137.02419	0.8
160.01663	0.4
165.01894	2.2
169.01416	1.0
171.03067	0.4
173.04518	1.6
175.03999	0.3
191.05608	100.0
192.05965	2.7
193.05019	0.6
196.35182	0.3
215.42857	0.3
275.01877	0.4
300.99741	0.6
367.10315	19.8
368.10648	1.2
468.04288	0.5
468.39542	0.3
479.08377	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	735.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01382	7.7
61.98828	100.0
69.02854	1.0
71.01382	13.8
73.02937	2.5
73.95016	0.9
78.91890	2.4
83.01344	1.0
83.05016	3.0
89.02441	2.4
95.05028	2.0
96.96024	2.4
97.02941	2.7
98.21906	3.4
99.00876	1.2
101.02451	3.0
103.01501	1.5
109.06580	2.8
113.02450	1.2
121.06585	1.3
125.09740	3.0
129.01950	2.5
135.03014	1.7
135.46957	1.0
138.93057	1.0
147.73972	1.2
163.11290	5.8
165.12846	2.0
171.10258	15.3
179.10661	1.1
181.12338	1.4
185.11786	2.0
191.10823	1.6
191.50955	1.0
197.11829	17.1
201.11342	7.4
207.10255	12.6
209.11824	46.0
210.12138	1.7
211.13379	14.0
211.67546	1.0
215.73756	1.0
219.37682	1.0
225.11296	11.9
227.12981	5.7
235.08270	2.6
239.12956	5.3
253.09328	7.6
271.66647	1.4
273.17062	26.3
447.22507	1.6
461.20270	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	735.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
58.00560	0.4
59.01378	13.2
61.98828	100.0
64.02419	0.4
67.21788	0.5
69.03454	0.7
71.01380	9.2
73.02947	1.9
77.52288	0.4
78.95918	0.5
80.91680	0.5
81.03461	0.9
83.01389	1.4
85.02966	1.5
86.00069	0.4
87.00870	2.1
89.02441	8.3
92.92796	0.4
95.01389	0.9
97.02959	1.6
98.21878	1.3
101.02444	8.4
107.08765	0.4
109.06578	0.5
113.02431	2.7
119.03513	2.6
122.03526	0.4
125.02438	2.6
143.03491	1.0
161.04591	1.2
163.11284	0.4
179.05643	1.2
205.78815	0.4
209.11821	2.2
211.13327	0.7
212.13780	0.4
221.06772	0.5
235.08206	3.3
253.09274	0.9
277.21713	21.8
278.22128	1.7
287.07968	0.6
305.08923	1.2
323.10190	0.5
397.13474	31.9
398.13828	2.0
415.14520	9.8
416.15155	0.5
675.36139	0.6
735.41638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96494	0.1
59.01380	0.2
61.98829	100.0
70.64612	0.2
85.52486	0.2
95.05028	0.1
105.19316	0.1
165.77263	0.1
207.10435	0.1
211.13432	0.3
225.11374	0.2
231.87221	0.1
293.21326	0.2
336.23444	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	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98826	100.0
69.84058	0.3
80.96522	0.2
83.84337	0.1
131.04050	0.1
207.10246	0.2
209.11906	0.5
211.13388	0.8
254.13562	0.1
387.76456	0.1
424.56836	0.1
433.37259	0.1
737.34027	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	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49557	0.1
57.01317	0.1
58.61465	0.1
60.71685	0.1
61.98827	100.0
69.15053	0.6
71.60283	0.1
119.75481	0.1
126.96207	0.1
154.34659	0.1
193.69490	0.1
209.11841	0.2
210.11984	0.2
324.63022	0.2
383.15201	0.1
523.41406	0.1
555.39252	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	736.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92802	0.1
55.48911	0.1
61.98826	100.0
70.49312	0.2
94.16432	0.1
96.20192	0.1
126.80048	0.1
149.79765	0.1
176.98366	0.1
192.40338	0.1
211.13438	0.4
212.13765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
77.10265	0.1
95.04932	0.1
98.21870	0.3
99.57693	0.2
102.77396	0.2
127.55012	0.2
168.19308	0.1
209.11894	0.4
211.13477	0.2
212.13762	0.1
319.90979	0.1
573.91187	0.1
710.99811	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	737.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01367	1.9
60.99292	1.4
67.01885	3.8
69.03455	1.3
71.01372	3.3
73.02945	1.1
81.03459	1.6
83.04998	1.1
85.02943	6.3
87.00868	8.7
89.03975	1.8
93.03455	26.7
94.03771	0.8
95.01393	0.6
96.96001	2.0
99.00867	0.6
99.04465	0.5
99.40926	0.5
101.02447	0.7
108.02157	1.0
109.02942	1.7
109.68172	0.5
111.04512	6.3
111.97688	0.4
113.02433	0.7
115.00385	3.8
117.03468	6.5
118.99524	0.5
119.05000	2.2
121.02941	2.2
123.00872	2.1
125.02437	1.6
127.04009	1.3
129.01953	1.0
134.03735	72.4
135.04100	1.8
137.02368	0.6
149.06059	5.3
151.00374	0.8
153.05515	0.8
155.03474	2.9
160.01643	0.6
163.04019	1.8
166.57115	0.4
169.01396	2.3
173.04527	11.8
175.02486	9.3
175.03867	0.9
176.02965	0.5
191.05602	100.0
192.05951	2.7
192.07404	0.5
193.05043	80.1
194.05370	3.6
197.04521	6.5
231.57718	0.5
247.02692	0.5
270.06076	0.5
301.00012	2.3
313.05475	0.7
367.10303	81.9
368.10623	6.7
407.57468	0.5
423.09277	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	737.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20551	2.2
58.52999	1.9
59.01349	7.9
60.60454	2.4
61.98830	52.4
66.60580	2.3
69.27244	10.7
71.01364	9.6
72.87717	2.1
78.98574	5.3
79.95728	11.7
80.96516	71.2
82.95392	2.2
83.05003	3.3
85.02966	3.0
86.06263	2.3
87.00858	5.1
88.98790	2.3
89.02416	2.8
94.98106	14.6
96.95966	3.5
97.02953	3.1
97.06513	2.2
98.22632	5.3
101.02421	6.6
105.86058	2.4
106.98067	2.8
122.97540	2.8
125.02396	3.6
134.97595	5.1
148.99123	6.2
152.98590	5.9
164.98648	11.5
171.10223	6.5
181.08562	2.5
192.03592	2.4
197.11783	4.9
199.09761	2.7
206.99561	3.8
209.11855	31.3
215.12914	11.1
225.00742	25.3
227.12920	5.1
253.09216	2.8
391.03391	2.4
391.53384	3.4
509.16827	3.6
626.09143	2.4
636.97656	2.7
737.30499	100.0
738.30798	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	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
60.14883	0.4
61.37674	0.3
61.72709	0.3
61.98829	64.4
71.01378	2.1
73.02954	0.5
78.91890	0.8
79.95751	0.6
80.02686	1.2
80.96530	0.9
81.03468	1.2
81.07059	0.3
83.01398	0.5
83.05033	4.2
84.02180	0.6
87.00909	0.4
89.02457	1.4
95.05032	0.6
96.95985	0.6
99.00865	0.4
101.02427	1.8
113.02443	1.0
119.03529	0.5
125.06169	0.7
129.72052	0.3
135.08179	0.5
147.11871	0.4
161.04576	0.7
163.11301	4.0
163.96819	0.3
165.12845	1.7
167.10936	0.4
171.10243	0.8
181.12343	0.5
191.10768	0.6
209.11821	100.0
210.12158	4.4
211.13524	0.5
227.10622	0.7
227.12872	14.7
228.13234	0.7
235.08240	2.1
247.13239	0.5
253.09258	5.1
419.24225	0.5
432.61902	0.4
445.20874	3.6
463.21564	0.4
493.45239	0.4
637.32330	0.8
737.30286	1.0
738.31598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01378	7.2
61.98779	0.9
69.03439	2.5
71.01376	5.0
71.05018	1.4
73.02927	1.0
83.04995	0.8
85.02927	1.1
89.02420	2.9
101.02431	3.4
111.04473	1.0
113.02438	0.9
123.08170	1.4
125.09720	1.9
127.89172	0.8
137.09743	0.8
151.11287	2.0
153.12869	1.9
161.09727	2.1
169.12395	1.1
179.10771	5.5
197.11826	76.1
198.12125	3.5
205.08704	1.1
223.09770	2.7
235.08167	0.9
241.10834	3.0
253.09206	3.8
277.21707	29.1
278.22028	2.1
301.45908	0.8
381.38934	1.0
459.18842	1.2
477.19949	2.4
717.92737	1.2
737.41156	100.0
738.41406	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	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06429	0.7
55.01853	0.7
57.03429	0.9
59.01373	6.7
61.98816	1.4
69.03452	5.9
71.01381	5.4
71.05017	0.8
73.02944	1.3
74.32911	0.6
74.80594	0.6
76.31888	0.7
78.95902	1.1
79.23553	0.6
82.86315	0.7
85.02931	2.0
87.00892	1.2
89.02439	2.5
97.06581	1.5
101.02448	3.2
113.02418	1.5
123.08180	0.9
124.91776	0.8
125.09731	2.1
150.97711	0.6
151.11275	2.9
161.04585	1.1
161.09735	3.5
169.12369	2.4
179.10782	7.2
197.11821	44.1
198.12152	1.3
223.09772	1.5
235.08006	0.8
241.10822	2.0
253.09346	2.1
267.79852	0.8
277.21713	53.7
278.22018	4.1
309.87720	0.7
331.76172	0.7
472.10718	0.7
477.19794	1.2
737.41174	100.0
738.41467	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01374	6.8
61.77898	0.3
61.98816	2.7
69.03460	0.7
70.35818	0.8
71.01380	4.0
73.02928	0.9
80.02679	0.9
81.03458	0.8
83.05030	4.2
85.02934	1.5
87.00851	0.6
89.02435	3.1
90.31638	0.3
95.01402	0.4
95.05016	1.1
96.96047	0.4
97.02946	1.4
97.06599	0.5
99.00865	0.4
101.02428	4.1
109.06595	4.8
111.08159	7.9
113.02447	2.4
113.09739	0.4
119.03506	0.9
121.06561	0.7
122.21234	0.4
123.04540	0.8
129.02016	0.4
135.08157	1.5
136.97240	0.4
137.09682	0.7
139.11177	0.4
145.05028	0.5
149.09705	0.4
161.04565	1.8
163.11301	4.8
165.12842	1.2
167.10744	1.8
171.10219	1.1
177.12872	1.5
179.05661	0.7
179.10826	1.8
179.14362	0.5
181.12305	1.2
191.10797	0.6
195.13887	6.6
199.13359	0.5
207.10251	14.6
208.10612	0.5
209.11819	76.4
210.12144	2.9
211.13397	1.0
223.13483	1.0
225.11308	6.5
227.12874	12.9
235.08199	3.7
247.20743	1.6
248.20746	0.4
253.09268	12.9
254.09570	0.5
273.18628	1.4
275.20163	1.6
291.19647	100.0
292.19998	6.0
293.21216	19.5
293.24637	0.7
294.21619	1.5
408.20325	0.4
443.19028	0.9
445.20914	1.2
461.20554	1.9
483.30832	0.5
509.27335	0.7
527.28564	7.9
528.29303	0.7
557.17157	0.4
719.40167	1.1
737.41046	8.6
738.41675	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	737.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57470	0.2
53.72502	0.2
54.86722	0.2
58.02950	0.2
59.01379	14.1
73.86407	0.2
81.03452	4.9
82.06621	0.3
83.05022	12.9
84.05372	0.2
98.22601	0.5
100.07690	0.2
107.06136	0.4
108.04553	0.3
125.07201	0.8
125.55588	0.2
126.05600	0.3
127.42593	0.2
143.08267	0.4
147.28645	0.2
155.50926	0.2
207.15048	1.2
224.17696	2.1
225.16068	11.5
226.16434	0.4
250.15982	0.2
258.10117	0.2
268.16583	0.2
309.21967	0.5
324.26385	0.5
333.22888	0.6
341.29117	0.8
367.26978	1.2
385.27991	0.2
433.31848	1.0
438.62686	0.2
450.34354	1.0
451.32883	7.2
452.33209	0.6
535.38556	0.2
550.43311	1.2
555.16937	0.2
559.39423	0.4
565.44659	0.5
573.91229	0.2
593.43884	0.7
659.48712	2.0
660.48883	0.2
677.49640	100.0
678.49963	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	738.407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52134	0.4
52.66826	0.3
59.01379	4.9
61.98809	0.7
71.01382	2.9
73.02930	0.7
80.02679	1.1
81.03476	0.8
83.01374	0.7
83.05025	3.7
84.02179	0.7
85.02950	0.7
89.02439	1.9
95.01383	0.5
95.05035	0.6
98.22616	1.0
101.02418	2.4
106.91322	0.4
109.06608	0.6
113.02444	1.5
135.08147	0.6
155.76065	0.4
157.04980	0.5
161.04535	1.3
163.11278	3.1
164.11604	0.5
165.12839	2.0
171.10272	5.1
179.05635	0.7
181.12401	0.8
191.10754	0.7
198.95590	0.4
199.13356	0.5
201.11208	0.8
207.10257	1.1
209.11819	100.0
210.12167	3.9
211.13377	3.6
212.13707	1.1
225.11320	2.6
227.10617	0.7
227.12883	14.8
228.13203	0.8
235.08264	1.4
249.18587	46.4
250.18967	2.6
253.09277	7.7
277.21762	4.5
289.18259	0.7
290.18307	0.8
293.21164	1.2
308.19583	0.5
311.22061	0.4
370.77921	0.5
445.20724	2.2
576.62482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77124	0.7
59.01373	1.4
61.18527	0.9
65.00352	1.2
71.45621	1.0
89.02415	0.8
107.01393	2.0
113.87271	0.8
125.02461	5.3
132.02151	1.0
137.02527	1.5
151.00369	3.7
161.02553	0.9
163.00352	1.0
164.01147	1.2
169.01402	7.0
177.01854	1.1
178.99806	1.3
183.02942	1.4
183.04497	0.9
191.05615	3.1
192.00624	2.5
193.01445	4.2
211.03987	1.9
227.03479	35.2
228.03857	2.6
229.04996	1.2
255.02968	69.8
256.03555	7.0
257.04446	1.5
258.38968	1.0
268.06866	1.1
283.02487	1.5
284.03244	100.0
285.03867	15.1
339.81290	1.0
445.40579	0.9
479.08414	11.6
480.08496	1.1
739.20898	63.9
740.21234	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	739.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09988	0.6
55.33290	0.8
59.01375	3.3
61.98829	100.0
62.19617	0.8
62.98515	1.2
71.01359	1.0
76.54629	0.8
77.28340	0.8
78.95924	1.4
80.91689	1.1
80.96494	1.9
82.95416	11.7
98.22681	1.7
101.02389	1.0
103.01505	2.1
122.57020	0.8
129.90842	0.7
136.22607	0.8
163.11275	1.7
167.96144	0.9
207.10287	4.4
209.11868	9.9
211.13402	2.1
225.11351	2.8
227.12877	2.2
233.11610	1.0
253.09239	1.1
461.20279	1.6
602.37451	0.8
635.30499	3.2
653.31720	5.1
671.32629	4.7
739.32715	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47897	0.1
57.03431	0.3
59.01373	3.5
61.98830	0.9
64.59399	0.1
71.01374	2.1
71.04991	0.2
73.02952	0.7
80.02670	1.1
81.03467	0.9
83.01387	0.3
83.05021	4.5
84.02164	0.7
85.00456	0.2
85.02960	0.6
87.00861	0.5
89.02435	1.6
91.04024	0.2
95.01391	0.2
95.05036	0.7
96.96015	0.8
97.02989	0.2
97.06580	0.4
98.22652	0.5
99.00877	0.2
99.64076	0.1
101.02436	2.3
109.06593	0.2
111.08136	0.4
113.02459	1.1
113.09708	0.2
119.03468	0.5
125.06050	0.5
135.08145	0.5
143.03461	0.2
145.05028	0.4
147.11832	0.3
157.05086	0.2
161.04547	1.2
163.11287	3.2
165.12822	1.9
167.10620	0.1
169.12335	0.3
171.10283	0.3
178.49110	0.1
179.05603	0.4
179.14413	0.3
181.12357	0.7
183.13817	0.4
191.10774	0.9
194.28725	0.1
195.13892	2.9
196.14650	0.5
197.11836	0.4
198.55663	0.2
199.13403	0.4
205.12329	0.2
209.11818	100.0
210.12151	3.9
210.14145	0.2
211.13391	2.9
212.13770	0.2
223.13388	2.4
224.13899	0.1
225.11224	0.2
227.12883	10.8
228.13382	0.4
235.08223	3.0
253.09279	9.9
254.09761	0.3
256.13135	0.6
275.20151	2.5
291.19553	0.6
293.21213	39.2
294.21548	2.1
309.20795	0.6
445.20810	1.9
447.22345	0.2
485.32483	0.2
492.22452	0.2
550.87653	0.2
739.40753	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03429	0.5
57.12734	0.3
59.01377	5.6
60.88213	0.3
66.96370	0.3
70.49326	0.6
71.01382	3.5
71.04977	0.4
71.36549	0.3
73.02956	0.8
77.79259	0.3
80.02678	0.8
81.03452	0.9
83.01357	0.4
83.05020	4.6
84.02186	0.5
85.02933	0.8
87.00835	0.6
89.02441	2.6
90.27085	0.3
95.05013	1.0
96.96027	2.2
101.02446	2.9
111.08102	0.6
113.02475	2.0
119.03497	0.8
125.06047	0.5
143.03574	0.6
145.05078	0.6
161.04578	1.7
163.11331	2.8
165.12856	2.3
167.10710	0.5
171.10252	0.6
179.05516	0.5
179.14398	0.9
181.12364	0.9
191.10788	1.3
195.13893	7.6
196.14758	1.6
205.12250	0.9
205.15991	0.4
209.11816	100.0
210.12167	4.1
211.13377	4.0
223.13399	4.7
224.14099	0.8
227.10620	0.7
227.12871	14.2
228.13318	0.8
235.08174	2.4
253.09280	19.4
254.09654	0.8
256.13116	1.3
265.21695	0.5
275.20139	6.5
291.19626	1.1
293.21213	91.7
294.21530	6.6
309.20648	1.1
425.45071	0.4
445.20859	1.1
503.33759	0.6
529.29944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30454	1.3
59.01374	14.8
60.91410	1.2
61.98838	2.0
69.03435	1.1
69.67464	4.1
71.01382	10.2
71.04999	3.4
73.02950	2.4
78.95892	2.7
85.02955	3.1
87.00856	2.0
89.02433	5.2
95.04957	1.3
97.02934	3.9
97.06580	3.4
98.23262	1.2
99.00867	12.1
100.38759	1.4
101.02415	5.5
109.06583	2.2
110.03735	1.3
111.08151	1.2
113.02431	2.6
119.03487	1.8
121.08809	1.2
123.08183	1.4
125.09714	7.2
127.11269	1.8
152.99561	1.4
158.39015	1.2
161.04521	2.2
163.11284	8.2
171.10255	9.6
181.08594	1.5
181.12360	13.5
183.13910	2.5
185.11772	1.4
194.43318	1.2
195.13879	4.5
197.11841	1.6
199.09738	1.3
199.13373	16.0
201.11266	1.9
206.54851	1.2
207.10268	29.1
209.11758	6.8
210.35970	1.3
211.13400	19.9
225.11331	48.2
227.12871	10.0
235.08250	4.2
240.04149	1.3
243.12329	8.0
251.20100	3.0
253.09233	10.3
275.20184	3.0
277.21716	80.8
278.22061	4.2
291.19641	24.7
293.21210	14.7
443.18588	1.5
461.20358	6.6
721.41864	7.8
739.42737	100.0
740.42963	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03438	1.8
59.01378	16.2
61.98818	1.1
69.03436	1.9
71.01373	14.7
71.05009	2.3
73.02932	2.3
83.01384	1.1
83.05021	3.4
85.02926	2.5
87.00858	1.9
89.02432	5.8
95.01392	1.1
95.05026	2.0
97.02945	4.0
97.06564	2.6
97.47507	1.4
98.22676	2.6
99.00880	12.1
101.02454	7.5
109.06577	3.1
110.03742	1.1
111.08151	2.5
112.44943	1.0
113.02433	4.3
114.18394	1.2
118.26285	1.0
123.08176	1.4
125.09701	2.9
127.11209	2.4
135.08139	1.8
149.09689	1.1
153.12862	1.1
161.04535	4.6
163.11288	6.6
165.18697	1.1
169.12312	1.6
171.10257	18.0
179.05565	1.8
179.10822	1.4
181.08705	14.6
181.12323	14.4
182.09012	4.2
183.13899	7.0
185.11909	2.3
190.72346	1.2
195.13892	4.1
199.09682	1.7
199.13383	39.3
201.11311	3.3
207.10262	31.8
209.11844	7.4
211.13390	59.5
212.13780	3.0
225.11317	59.2
226.11655	2.2
227.12888	28.0
235.07982	5.3
243.12346	13.2
253.09253	17.4
277.21722	71.5
278.22061	19.9
291.19620	21.7
292.19977	1.3
293.21252	20.7
295.10382	1.1
303.30359	1.1
443.19440	1.6
450.47778	1.1
461.20096	9.6
463.21658	4.3
477.41235	1.2
479.21228	2.2
485.32486	1.1
532.61005	1.3
721.41425	4.5
739.42694	100.0
740.42517	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	740.335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	0.2
61.23062	0.2
61.98829	100.0
66.12241	0.2
69.11584	0.4
69.11875	1.4
72.28323	0.2
95.06765	0.2
101.50465	0.3
191.09572	0.2
209.11865	0.6
222.55742	0.2
224.62709	0.2
255.48540	0.3
457.17090	0.3
772.32550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
60.51327	0.1
61.98828	100.0
70.84954	0.1
83.05040	0.1
94.39726	0.1
98.21873	0.3
115.95529	0.1
152.44246	0.1
154.30865	0.1
199.65794	0.1
206.53767	0.1
225.16187	0.1
299.78854	0.1
421.23962	0.2
431.80124	0.1
678.50800	0.2
679.50092	0.9
680.50635	1.7
740.49316	2.1
741.49908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.0
61.98827	19.8
65.15232	1.1
66.45048	1.2
66.95914	1.7
68.25871	1.1
70.83941	1.1
70.95444	1.6
71.01386	14.8
80.91692	3.3
82.95413	74.1
83.05002	2.6
85.00425	3.3
85.02984	1.7
87.00855	2.0
89.02425	2.6
92.01653	1.1
97.02966	2.6
101.02438	5.0
109.06581	13.2
113.02437	3.1
125.02412	1.6
125.09736	2.0
135.08134	1.5
161.04541	2.7
161.09720	1.3
163.11308	9.1
171.10233	1.9
179.05724	1.4
181.12366	3.4
181.39601	1.0
183.13950	5.8
185.11780	1.7
189.09251	1.9
193.12335	2.5
197.11832	4.1
207.10252	44.6
208.10631	2.7
209.11751	7.6
211.13388	100.0
212.13722	4.4
225.11305	28.3
226.11630	1.7
235.08153	5.5
253.09241	10.4
373.23822	2.2
383.22226	3.2
391.24884	1.8
401.23367	4.9
419.24484	1.3
443.19144	1.6
445.28052	1.3
447.22366	4.8
461.20477	9.2
506.79599	1.3
609.32819	1.6
637.32074	13.5
638.32648	1.9
655.33429	15.5
656.33789	4.9
681.36591	4.1
688.37329	2.6
741.36707	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	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38443	0.8
56.85550	0.8
59.01367	2.9
61.98825	7.4
67.17361	0.8
69.22112	4.6
71.01385	1.6
81.03445	1.1
82.95435	0.8
83.05028	3.2
83.87040	0.8
84.95134	1.3
85.00424	3.7
86.04076	0.8
86.61223	0.9
89.02444	1.0
98.22590	2.1
101.02397	1.0
113.02408	1.1
146.96916	0.8
163.11293	1.6
165.12779	1.3
171.10237	1.4
207.10341	1.1
209.11821	100.0
210.12244	2.4
225.11226	1.8
227.10614	1.5
227.12869	23.5
235.08224	2.3
247.13173	1.1
253.09251	5.9
445.20789	10.4
446.20926	0.9
463.21933	0.9
588.70770	0.9
637.32257	3.2
655.33521	2.2
673.34344	1.3
685.37799	1.0
698.37152	1.0
741.34625	31.5
742.34875	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	741.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	30.3
61.98832	26.3
71.05784	16.3
101.02416	13.7
101.99732	10.5
111.08173	13.3
112.32691	11.7
169.12378	40.0
171.10344	12.8
197.11984	16.5
209.11923	52.8
211.13339	95.3
226.30867	10.7
253.09163	23.0
263.16501	21.9
291.19635	10.7
307.73129	12.8
309.20609	18.2
399.36862	11.4
447.22473	14.7
653.02716	12.8
735.35571	12.4
741.38983	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	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.2
60.75940	1.3
61.98823	5.4
69.03463	1.6
69.45675	5.9
71.01374	6.1
73.46954	1.3
75.23169	1.4
83.01381	1.6
84.52814	1.6
87.00907	2.2
87.58127	1.6
89.02428	4.0
97.02904	1.7
97.06583	5.0
98.21798	2.0
101.02457	3.8
111.08128	3.4
113.02454	2.7
123.60501	1.5
134.35252	1.4
146.36909	1.4
151.11290	15.8
161.04584	2.8
169.12329	85.7
170.12590	2.9
171.10323	9.8
181.12415	1.7
185.11751	2.6
197.11803	14.0
209.11803	4.0
211.13307	4.2
213.11305	9.7
223.13344	1.5
235.08231	1.9
253.09322	6.5
271.86700	1.6
291.19763	7.7
291.22559	1.5
309.20728	7.6
331.45105	1.6
431.19360	3.1
449.20090	4.0
599.55060	1.6
602.90851	1.4
741.40607	100.0
742.40448	8.9
743.80505	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	741.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.3
60.29467	1.6
60.42040	1.8
61.98814	3.6
71.01371	7.4
73.02942	2.1
83.01398	1.6
83.05060	2.2
89.02431	4.7
96.96008	14.0
97.06583	4.5
98.21787	3.8
98.95586	6.9
100.72575	1.6
101.02430	6.5
111.08142	3.2
113.02483	1.8
116.92845	2.0
151.11304	18.8
169.12344	89.7
170.12735	2.3
171.10255	8.4
181.11877	1.6
185.11847	2.4
195.10309	4.0
197.11815	21.1
198.12212	2.1
209.11737	4.5
211.13376	6.8
213.11310	8.1
229.88588	1.7
235.08189	3.1
253.09236	5.7
291.19568	5.5
295.22491	4.1
309.20581	7.8
449.20322	4.0
626.17725	1.9
741.40637	100.0
742.41437	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	743.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46271	0.4
68.19561	0.4
87.76373	0.4
92.87634	0.4
95.01383	1.2
96.80451	0.5
102.34980	0.4
107.01372	0.8
123.00871	1.4
123.54434	0.5
125.02436	0.7
139.00362	0.6
157.02930	0.7
157.17397	0.4
166.99901	0.7
169.01431	0.9
171.00905	0.5
172.01675	0.7
173.02397	0.9
185.02435	1.6
187.00377	1.7
191.05562	0.4
194.73042	0.4
196.84154	0.4
199.00291	1.0
200.01172	0.4
201.01917	1.4
211.02513	0.4
213.02002	0.5
214.99831	1.6
216.00450	0.8
220.08687	0.4
229.01436	2.9
242.99370	7.8
243.99973	1.0
244.80864	0.4
245.00955	0.7
257.00983	2.0
270.98825	33.0
271.99307	2.6
279.03183	0.5
282.98901	0.5
283.99594	2.6
285.00381	4.5
298.98328	66.3
299.98975	11.6
300.99890	100.0
302.00262	6.2
358.01837	0.5
374.67715	0.5
407.00186	1.0
441.10486	0.5
450.99380	7.2
490.73575	0.4
743.11102	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	743.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41486	2.3
59.01383	11.6
61.98574	2.4
61.98830	23.0
64.02221	2.1
71.01375	18.3
81.03449	2.7
83.05032	5.0
89.02450	4.0
96.96007	3.6
100.79344	2.3
101.02444	3.9
109.06624	3.0
116.92870	3.9
121.90701	2.3
125.09706	3.5
135.08150	2.3
159.67981	2.2
161.04597	2.9
163.11290	7.5
171.10278	32.2
181.12396	2.7
197.11845	2.7
199.09824	14.5
199.13406	4.9
201.11345	29.7
207.10313	10.7
209.11839	100.0
210.12178	4.1
223.09807	3.3
225.11340	23.5
227.12901	24.0
235.08234	6.5
253.09300	14.4
391.02905	5.4
407.18982	4.0
407.69980	3.0
435.18579	3.0
445.20642	5.1
461.20078	6.7
496.03476	2.2
609.28845	3.9
627.30170	6.3
640.76422	2.5
645.30811	3.3
653.30829	8.7
669.32214	3.2
671.32764	6.8
689.33453	4.5
707.34558	7.2
725.31763	4.0
743.33368	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	743.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65265	12.6
64.61677	14.3
69.42673	40.8
69.43073	18.5
73.82199	13.1
77.34144	14.0
78.95894	100.0
79.32322	16.0
82.21864	12.8
83.95052	16.1
92.23304	16.9
129.74738	14.3
146.83873	15.6
152.99557	58.2
169.28113	18.0
209.11790	75.6
211.13406	29.2
255.23320	87.2
277.21732	20.8
295.22571	25.3
543.13477	14.9
590.65735	17.1
743.44684	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49822	1.1
54.57625	1.0
59.01373	3.5
63.17887	1.2
71.01373	3.4
83.05014	1.3
85.02943	25.2
87.00865	6.1
93.03457	11.5
101.02415	1.0
104.79559	0.9
108.02170	5.8
109.02938	11.7
109.85999	1.0
111.04543	2.1
111.87811	0.9
113.02444	1.2
127.04015	4.7
139.05545	1.3
142.04262	1.1
143.05020	1.9
143.89388	1.0
145.06700	1.1
154.07471	1.0
155.03485	1.2
155.05003	2.2
169.02937	4.1
170.03709	3.0
171.04477	4.4
173.04546	2.7
173.06004	2.6
174.03220	3.5
176.04752	2.5
182.03687	3.7
183.04459	10.8
185.02393	1.3
191.05605	100.0
192.05994	2.5
197.02393	5.7
198.03218	35.7
199.03955	17.2
200.04759	7.4
201.05542	13.8
202.02745	4.7
203.03525	4.0
209.02370	2.1
210.03197	2.7
211.04007	15.3
213.01910	4.4
213.05389	1.2
214.02655	2.6
224.01236	1.8
225.01927	11.8
226.02681	23.5
227.03487	38.9
228.04047	2.1
229.01506	7.1
229.05020	15.4
230.02086	1.7
237.01984	2.0
242.02237	3.1
243.03041	3.7
245.04558	5.6
252.00540	1.5
253.01396	52.8
254.02107	5.3
255.02931	15.3
269.01001	6.4
270.01859	1.2
271.02515	5.6
273.04099	3.7
281.00922	34.4
282.01263	1.7
297.00421	16.0
298.01178	97.7
299.01657	9.8
300.02817	2.1
329.71301	1.0
389.08640	2.1
399.07159	2.4
415.06613	1.6
417.08063	1.3
447.09360	2.1
497.11118	2.2
499.12524	6.2
509.10745	5.9
525.10382	6.8
527.11835	6.1
535.09027	2.6
553.09851	39.3
553.18512	1.9
554.10083	4.4
571.10931	61.5
572.11261	7.8
615.90442	1.0
661.25897	1.2
713.81763	1.2
745.16187	99.7
746.16632	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	745.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	0.7
61.98825	0.5
72.08307	0.3
74.70142	0.4
78.95905	0.4
92.04685	0.4
103.01495	77.3
121.02763	0.3
138.95943	0.4
172.07640	0.4
183.78052	0.4
211.95917	0.4
255.23192	1.0
279.23502	0.5
337.20819	0.4
346.70566	0.4
481.15094	0.9
540.16199	0.8
555.18915	3.3
572.15680	0.5
641.22339	1.1
701.24646	2.3
702.25061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86980	16.7
57.78140	16.1
61.98826	100.0
78.95914	36.5
98.21890	58.2
104.22304	16.9
107.53041	17.8
116.92845	27.3
152.99556	17.4
197.11856	63.2
205.98322	20.0
240.37379	19.9
255.23277	92.6
279.23425	28.7
293.21268	40.7
295.22806	23.9
745.38110	32.7
745.50128	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5028
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
70.35397	19.1
70.66924	8.2
72.29948	8.0
77.64013	9.3
78.95909	16.0
88.21635	8.4
107.66147	8.8
111.19881	7.9
121.14367	8.1
125.44789	8.8
136.19954	8.6
152.99591	14.4
255.23260	100.0
279.23352	29.4
334.51221	8.7
339.21628	10.1
529.91449	9.1
581.21503	10.1
679.90631	9.3
745.50610	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.3
61.98831	4.8
65.33614	2.3
67.57784	2.6
71.01377	13.5
73.02953	2.5
81.03470	5.2
89.02437	4.9
93.20396	2.5
97.02939	2.5
99.00845	2.8
101.02409	5.7
109.06588	33.3
116.59400	2.4
118.20120	2.9
136.61050	2.2
149.29768	2.7
163.11293	16.6
181.12318	5.5
185.11827	2.5
189.09229	4.0
199.09813	3.3
207.10254	100.0
208.10612	6.9
209.09962	2.5
209.11884	8.3
225.11305	47.8
237.31299	2.5
240.67430	2.6
249.18590	78.4
250.19075	2.8
253.09380	16.7
255.23193	3.1
370.18344	2.6
443.19107	3.2
461.20230	23.4
657.33844	2.6
693.38654	21.3
694.38953	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	747.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26678	3.4
59.01358	4.9
61.98827	12.3
83.05006	5.7
147.21892	3.3
171.10338	4.0
206.07666	3.5
209.11838	100.0
210.12135	4.5
211.13438	19.3
227.12820	21.4
235.08199	5.6
253.09242	10.0
265.18088	50.7
266.18320	5.3
276.37793	3.9
334.14102	3.6
445.20523	10.6
719.16583	4.0
747.36841	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67166	0.4
59.01371	2.3
60.57755	0.4
61.98820	2.7
64.02081	0.4
70.96169	0.6
71.01373	2.0
72.99295	0.5
75.00875	0.6
80.02683	0.8
81.03443	1.1
83.05022	3.5
83.27924	0.4
84.02129	0.5
85.02944	0.4
88.98792	0.5
89.02440	0.9
95.05021	0.6
101.02430	1.2
113.02438	1.1
117.89532	0.4
118.87492	0.3
119.03517	0.4
125.09864	0.4
135.08134	0.5
138.52563	0.4
160.39265	0.4
161.04559	0.6
163.11290	3.3
165.12854	2.6
165.59926	0.4
171.10298	0.9
179.05495	0.5
180.67123	0.4
185.11844	0.5
191.10794	0.9
199.13412	0.5
209.11821	100.0
210.12166	5.0
211.13394	0.8
211.37878	0.4
219.17844	0.4
227.10625	0.7
227.12894	14.0
228.13104	0.5
235.08176	1.7
247.13217	0.4
253.09264	5.0
253.65704	0.4
393.86246	0.4
445.20767	3.3
446.20728	0.6
637.32367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13205	0.4
59.01371	2.1
61.98829	4.4
70.66360	0.7
71.01369	1.1
75.00864	0.9
89.02448	1.0
101.02466	0.5
113.02440	0.4
118.98072	0.4
138.90417	0.4
181.08685	1.2
183.13898	5.2
189.75081	0.4
193.12343	1.2
211.13380	100.0
212.13734	4.2
235.08179	1.5
253.09311	3.2
293.21259	1.4
294.21527	0.5
315.17950	0.5
387.25366	0.6
429.21292	2.7
430.21417	0.5
447.22354	14.9
448.22684	1.3
597.32635	0.5
614.20013	0.5
623.34241	5.4
624.35284	0.4
641.35333	5.2
642.35663	1.2
744.73175	0.5
748.37952	0.7
749.37708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94417	0.5
69.41443	0.9
69.41833	1.4
75.64420	0.5
87.82952	0.5
96.96013	0.8
98.21816	0.6
99.92578	13.6
100.03612	0.5
102.94544	0.4
107.01357	0.5
111.00900	0.5
116.92857	100.0
116.98289	1.4
117.92876	3.1
123.00883	1.3
124.01656	1.9
125.02448	13.7
131.37553	0.5
137.02463	0.6
139.00403	0.5
145.02925	0.8
149.02451	0.5
150.65558	0.4
151.00349	0.5
161.02361	1.2
162.03244	1.2
163.04036	0.8
164.01071	0.5
165.01909	0.9
168.00623	2.0
169.01413	13.4
177.02023	0.7
183.02954	1.0
189.01901	1.2
190.02708	1.9
191.03552	0.9
192.00610	3.7
193.01372	5.3
205.01358	1.0
206.02223	1.5
207.02962	6.6
211.02467	4.5
234.01627	4.4
235.02516	4.4
247.02670	0.6
249.04036	2.0
277.03531	0.7
294.04169	0.7
300.99918	8.7
430.34247	0.5
479.08536	1.5
631.09332	50.1
632.09528	4.0
667.00562	0.6
694.99664	6.8
696.00360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
67.32635	0.3
71.46066	0.3
76.01573	0.3
83.85374	0.2
92.85011	0.3
116.92844	1.5
132.92865	0.3
145.02982	1.0
147.04587	0.3
151.06371	0.3
157.02928	0.4
169.01424	0.3
173.02426	1.1
185.02403	2.0
201.01964	1.8
217.01401	0.3
221.35832	0.3
229.01404	3.1
245.00919	1.2
254.99190	0.3
257.00922	1.5
273.00253	0.3
283.99619	2.1
299.99088	2.2
300.02420	0.7
300.99884	100.0
302.00238	5.8
318.98434	0.3
447.09079	0.9
631.09814	0.6
642.18396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26549	0.4
66.04000	0.4
67.01878	0.6
69.43327	1.5
71.01378	2.7
71.56204	0.5
73.02936	0.7
78.50280	0.4
79.01889	0.7
81.03483	0.5
83.01389	0.6
85.02963	1.6
95.01392	1.3
96.08347	0.5
97.02971	1.0
99.00868	0.4
101.02431	1.0
104.49618	0.5
107.01394	3.6
108.02164	3.9
109.02946	9.2
111.00914	0.8
111.62581	0.4
113.02444	1.1
121.75190	0.5
123.00881	8.5
124.01660	7.2
125.02448	19.1
126.90630	0.4
133.62209	0.5
136.88831	0.5
139.00366	1.0
140.01180	1.1
141.01938	1.4
151.00378	7.6
168.00629	3.1
169.01430	31.3
170.01799	0.8
172.82735	0.4
179.03299	0.5
181.04955	0.6
211.02394	0.6
213.67520	0.5
241.03545	1.0
253.03438	0.8
253.49205	0.5
297.06140	0.7
297.64926	0.5
313.05637	10.2
314.05997	0.9
423.09311	100.0
424.09705	7.1
601.08905	0.5
615.45300	0.6
695.80603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
61.98829	9.7
69.03468	0.5
71.01363	2.1
71.06889	0.7
73.02934	0.8
74.96761	0.4
80.02651	0.8
81.03432	0.8
83.01411	0.4
83.05026	3.9
84.02146	0.7
85.02944	0.8
88.98776	0.6
89.02440	1.7
95.05046	0.6
101.02451	2.0
103.01491	0.5
113.02451	1.7
119.03449	0.4
124.75135	0.3
125.06084	0.5
143.03474	0.6
146.66319	0.4
161.04553	1.3
163.11292	3.0
165.12788	1.8
171.10216	0.4
179.05640	0.6
183.13893	3.7
191.10669	0.8
193.12308	1.4
209.11818	100.0
210.12157	4.0
211.13382	69.1
212.13763	2.9
225.14386	0.4
227.12878	12.1
228.13171	0.7
235.08228	2.4
253.09251	7.1
320.01950	0.4
403.24774	0.7
429.21060	1.2
444.32739	0.4
445.20840	4.8
447.22318	5.5
463.21851	0.5
477.14474	0.5
621.32495	1.9
639.33673	1.9
657.34363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98832	24.9
71.01384	3.4
71.06862	0.7
72.99297	2.2
73.02925	0.7
78.91875	1.0
80.13411	0.7
83.05025	4.8
88.98812	4.5
89.02444	2.4
101.02432	3.7
103.01522	0.8
113.02467	1.1
116.92860	0.8
123.83667	0.7
153.69261	0.8
161.04555	1.2
163.11305	3.0
165.12878	1.4
167.14348	0.9
171.10242	0.9
180.70857	0.7
183.13934	6.7
189.64912	0.7
193.12286	1.5
197.42699	0.7
209.11824	97.2
210.12152	5.4
211.13390	100.0
212.13704	6.0
227.12894	14.9
235.08322	3.8
253.09264	7.9
255.03055	0.8
301.26688	0.8
348.81671	0.8
370.53006	0.7
403.24396	0.9
429.21057	1.5
445.20972	3.4
447.22424	7.9
463.21094	0.7
593.17358	0.7
621.32629	1.4
639.33856	3.0
689.21313	1.9
690.21704	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	749.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82573	2.0
71.01374	7.6
78.98580	4.5
79.95730	11.8
80.96519	70.5
85.02921	3.3
94.98087	16.9
101.02421	2.3
106.98068	3.3
122.97587	5.5
125.02422	3.5
134.97551	6.3
148.99100	6.3
152.98601	7.4
152.99673	2.9
164.98579	16.0
206.99728	3.8
215.50908	2.2
225.00752	25.2
255.23186	2.9
709.41333	2.5
712.49689	2.4
749.41498	100.0
750.41187	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	750.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
59.25694	0.7
71.01388	1.5
71.46143	0.6
74.89396	0.6
75.91391	0.7
76.69643	0.6
79.43069	0.6
86.55691	0.7
89.02419	1.4
98.22592	2.1
101.02433	0.9
113.02445	1.2
179.05540	0.9
183.13835	3.3
190.24533	0.7
193.12297	1.1
207.84381	0.8
211.13383	100.0
212.13747	5.7
235.08202	2.0
235.11998	0.7
253.09259	6.9
268.04517	0.7
277.21707	53.0
278.22040	3.9
429.21265	1.7
447.22327	12.3
448.22708	1.3
512.39746	0.8
513.30707	0.7
517.30072	0.9
549.56403	0.7
707.43787	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	751.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
61.98827	42.4
62.95729	3.1
65.27133	3.9
67.01878	5.4
71.01421	3.8
71.44566	3.4
75.00868	23.3
77.18563	3.4
85.35776	3.3
93.03460	70.5
95.01376	22.6
96.96021	7.0
97.02940	3.4
105.93620	3.7
107.01334	4.3
111.00880	4.5
113.02377	3.5
123.00887	34.9
124.01631	14.0
125.02440	66.9
137.02443	82.0
139.03947	4.4
145.02954	3.7
152.01039	4.2
154.63741	4.1
161.02396	3.8
165.01923	6.1
166.99814	16.7
168.00677	17.2
169.00134	5.7
169.01440	69.9
183.02986	5.8
187.04028	6.7
189.01935	4.5
190.02710	9.8
191.03410	5.1
192.00642	54.0
193.01405	56.0
205.01427	9.8
206.02208	9.8
207.02985	32.0
209.11823	29.5
210.12076	8.6
211.02457	18.6
220.03772	5.2
222.01581	4.1
227.13011	4.3
231.02939	19.2
232.03731	4.4
234.01706	20.1
235.02455	24.3
240.90408	3.4
246.01743	10.6
247.02274	4.5
249.04030	15.5
253.09160	3.6
258.01566	5.4
259.02420	8.1
260.03271	44.6
261.03976	16.3
275.05569	4.0
276.02658	6.6
277.03329	4.5
278.04050	4.5
339.36276	4.4
357.05560	4.1
406.67023	3.6
417.07938	7.4
417.35962	4.4
436.59647	4.6
443.06030	20.6
444.06653	3.9
445.07846	17.4
461.07153	12.5
479.08075	5.8
574.11719	4.0
599.10455	55.5
600.10364	4.9
613.08167	43.4
614.08679	6.6
631.09308	28.7
632.09235	5.3
715.15057	6.3
751.11499	100.0
751.27551	5.6
751.29919	5.4
752.12177	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	751.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88231	0.5
59.01385	0.7
71.01373	2.7
79.01894	0.8
83.01401	1.1
85.02962	1.8
95.01369	1.7
97.02969	0.8
101.02447	1.4
106.11816	0.4
107.01373	4.8
108.02174	3.9
109.02946	9.4
110.46526	0.4
111.00868	0.9
112.60457	0.5
113.02436	1.2
123.00887	9.6
124.01665	4.7
125.02447	19.6
135.04578	0.7
139.00400	1.7
140.01170	2.2
141.01915	1.7
151.00372	5.1
151.03978	0.8
153.02003	0.6
161.02441	1.1
163.73235	0.5
168.00668	2.8
169.01418	23.4
170.01837	0.6
179.03468	0.7
191.03473	0.5
191.05620	3.6
192.00612	1.4
198.17880	0.5
198.78661	0.5
207.03014	1.1
211.02391	0.6
214.99911	0.6
271.04373	0.9
275.01996	0.9
293.12549	1.2
300.99890	3.1
313.05618	6.7
327.07172	1.2
358.23886	0.6
375.06882	0.8
421.07800	1.0
423.09314	100.0
424.09631	8.9
425.09686	1.0
480.13605	0.5
662.42267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01347	0.1
75.57178	0.1
78.91884	0.1
171.10437	0.1
207.10245	0.1
209.11795	0.4
210.12244	0.1
468.54611	0.1
486.09811	0.1
599.10669	0.1
772.30493	0.1
776.17841	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	752.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98828	100.0
62.98527	0.1
65.16443	0.1
71.01388	0.2
73.33823	0.1
78.91896	0.1
82.95409	0.1
89.71436	0.1
92.92847	0.1
96.96030	0.1
145.65231	0.1
164.86374	0.1
168.72667	0.1
180.84013	0.1
185.11934	0.2
207.10246	0.1
209.11844	0.2
211.13411	0.9
212.13777	0.5
288.85526	0.1
324.48868	0.1
518.97113	0.1
519.04712	0.1
705.27338	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	752.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98527	0.2
64.74969	0.1
71.01360	0.1
82.95423	0.2
99.25029	0.1
209.11859	0.2
211.13466	0.4
212.13777	0.1
567.07733	0.1
752.38971	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	753.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90864	0.1
57.02298	0.1
57.03444	0.5
59.01370	1.2
59.30100	0.1
60.50915	0.1
60.99304	1.4
65.03972	0.1
66.92396	0.2
67.01889	4.2
69.03448	1.4
69.44238	0.4
71.01381	1.7
73.02941	0.2
73.34877	0.2
81.03448	0.8
83.01341	0.2
83.05035	0.7
85.02940	4.1
87.00872	6.5
89.03962	0.3
93.03455	28.3
94.03796	0.7
99.00877	0.5
99.04515	0.5
105.11550	0.1
109.02957	0.7
111.04517	4.2
113.02447	0.4
113.87056	0.1
115.03999	0.2
117.03449	0.8
125.02471	0.3
127.04006	1.4
129.01953	0.6
134.03734	9.7
135.04068	0.3
137.02428	0.3
143.03520	0.4
149.06046	0.7
155.03488	0.9
160.01678	0.4
161.07257	0.1
171.02971	0.3
173.04539	10.4
174.04848	0.3
175.03966	0.7
175.08734	0.2
178.02708	0.2
189.06693	0.2
191.05602	100.0
192.05948	3.3
193.04999	5.3
194.05441	0.2
323.12451	0.3
367.10297	43.3
368.10617	3.1
369.10712	0.2
446.45474	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	753.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01384	1.4
60.99302	1.6
67.01890	3.9
69.03451	1.2
69.20868	1.1
71.01389	1.6
81.03453	0.9
83.05033	0.9
85.02946	5.0
87.00877	6.4
93.03460	27.2
94.03783	0.6
95.01365	0.2
95.77754	0.2
99.00861	0.4
99.04510	0.8
101.02442	0.2
109.02946	0.7
111.00930	0.2
111.04519	4.1
113.02478	0.2
116.92850	1.0
117.03484	0.9
123.00871	0.5
124.01643	0.4
125.02432	1.5
127.04012	1.2
129.01932	0.7
134.03741	9.3
135.04021	0.3
137.02515	0.3
139.00490	0.2
149.06071	0.8
155.03499	0.7
160.01636	0.3
168.00618	0.3
169.01408	2.1
170.31299	0.2
171.03018	0.4
173.04546	8.9
175.03972	0.7
178.02757	0.2
191.05609	100.0
192.05975	2.7
193.05046	5.6
211.02431	1.0
217.10785	0.2
271.04575	1.3
298.98370	0.3
300.99908	0.3
313.05695	0.3
344.52841	0.2
367.10321	39.6
368.10660	2.8
371.67389	0.2
465.06573	1.2
573.18268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
59.01377	10.9
61.98837	12.3
69.03443	5.3
71.01368	6.9
73.02909	2.0
77.76855	1.8
78.72630	1.6
78.91890	15.8
83.05006	2.8
85.02933	2.5
89.02438	5.4
89.55927	1.7
96.95970	3.1
98.21849	3.1
101.02429	5.7
109.06573	4.1
113.02464	3.4
119.03493	2.0
123.08227	1.7
125.09728	2.7
135.08154	2.1
152.99608	2.1
161.04518	1.9
161.09706	3.6
165.12811	3.2
169.12347	1.8
171.10225	9.1
179.10725	4.9
191.10854	1.8
195.13844	6.6
197.11830	62.4
198.12181	3.6
207.10246	6.3
209.11819	39.2
211.13333	12.0
223.13396	5.1
225.11276	7.8
227.12860	5.9
232.33180	1.7
235.08195	1.9
241.10765	3.1
253.09253	10.5
275.20166	1.7
289.18127	5.1
291.19510	5.4
293.21265	17.0
294.21475	2.7
307.19223	9.3
309.20804	3.6
311.22983	1.7
338.26743	1.8
387.87192	1.9
445.20972	2.4
492.76221	1.7
598.48474	1.8
753.40570	100.0
754.41199	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	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39749	2.0
59.01381	23.7
61.98825	71.3
71.01374	13.2
71.25462	2.2
73.02946	4.9
78.19649	1.9
78.91869	11.5
81.03445	3.1
83.01384	2.5
83.05019	6.0
85.02936	5.0
87.00874	3.1
89.02442	7.9
96.95963	2.4
97.02947	9.7
97.06565	4.1
99.00877	3.7
101.02436	8.2
105.15257	2.0
109.05880	4.0
109.06585	40.6
110.03711	4.2
111.08134	8.2
113.02406	5.9
119.03503	2.9
123.04580	3.3
125.09750	2.3
135.08186	4.9
136.05273	3.6
153.09167	2.6
153.12820	2.2
161.04630	3.2
161.09723	4.6
163.11256	22.6
165.12846	3.9
169.12328	4.8
171.10249	11.5
181.12341	8.8
185.11728	3.5
189.09195	3.7
197.11792	30.8
198.12169	3.0
199.13329	3.8
207.10260	100.0
208.10493	4.3
209.11813	57.8
210.12044	2.6
211.13387	8.5
223.09676	6.7
225.11330	55.1
226.11626	3.7
227.12848	11.2
235.08228	9.3
245.19008	3.9
253.09242	32.3
263.20108	6.5
289.18170	14.7
291.19720	16.0
293.21252	14.4
307.19162	14.5
309.20706	64.6
310.21170	4.8
443.19208	7.2
445.20572	4.1
461.20334	20.8
545.28870	2.3
584.71838	2.6
614.93726	2.4
735.39740	7.4
753.40680	46.4
754.41229	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	754.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.78146	0.1
69.22181	0.7
70.64545	0.1
80.96512	0.3
106.34222	0.2
169.01501	0.3
209.11807	0.5
210.99168	0.2
211.63763	0.2
473.00284	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	755.2041
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
63.02375	0.6
64.46555	0.5
65.00324	0.8
70.59177	0.5
93.03468	0.8
107.01402	1.9
108.02191	2.4
123.00872	0.7
124.01692	0.7
125.02453	2.2
135.00867	1.1
147.00816	0.5
148.01691	1.5
151.00365	6.0
163.00360	1.2
164.01074	0.6
169.01405	2.8
178.99850	3.9
179.35237	0.4
191.05663	2.7
199.04007	0.8
211.03996	0.7
215.03516	0.7
216.04320	0.8
226.02759	1.4
227.03494	2.7
243.02959	11.7
244.03387	0.9
254.02150	2.4
255.02971	29.1
256.03424	1.7
271.02466	65.2
272.02881	5.3
275.02084	0.6
298.98553	0.8
299.01779	2.7
300.02728	100.0
300.99866	5.0
301.03238	10.1
367.10455	0.5
393.20898	0.6
423.09326	1.2
467.03577	0.5
575.10437	0.8
755.20331	74.0
756.20740	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
57.03441	0.8
58.00603	0.4
58.84455	0.3
59.01114	0.4
59.01378	5.0
61.98819	1.4
69.03458	0.7
70.28819	0.4
70.29137	0.6
71.01379	3.5
71.05016	0.4
73.02948	1.1
77.05019	0.4
80.02660	1.5
81.03450	1.3
83.01366	0.8
83.05014	4.4
84.02144	1.2
85.02940	0.9
87.00869	0.6
89.02437	2.4
95.05015	1.0
97.02931	1.4
97.06606	0.4
101.02443	3.5
107.05036	0.4
109.06543	0.6
111.08161	6.3
113.02442	2.2
119.03493	1.0
125.02368	0.4
125.09760	0.4
127.07629	0.4
135.08159	0.8
137.09726	0.4
143.03517	0.5
147.11873	0.4
148.58406	0.3
153.12819	0.4
161.04588	1.9
163.11301	4.2
165.12854	3.2
169.12360	2.9
171.10362	1.6
179.05600	1.0
181.12334	1.5
183.13899	0.5
191.10796	0.9
193.12297	0.6
197.11821	31.9
198.12151	1.5
199.13388	1.8
202.21231	0.4
207.10139	0.6
209.11819	100.0
210.12151	4.6
211.13376	6.0
225.11246	0.6
227.12885	13.0
228.13142	0.4
235.08203	2.7
247.20677	0.8
247.53258	0.4
253.09267	14.8
254.09642	0.7
263.20145	1.5
265.18109	0.6
273.18549	1.0
291.19659	17.8
292.20023	1.3
293.21320	1.1
309.20697	47.2
310.21017	3.6
445.20776	1.0
501.32159	0.6
527.28400	0.4
545.29694	1.1
547.99396	0.4
733.65631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23351	0.2
57.03444	0.4
58.00578	0.4
59.01378	4.4
61.98825	1.1
63.48734	0.2
69.03460	0.4
70.49011	0.4
71.01382	3.3
71.26314	0.2
73.02938	0.9
76.53997	0.2
80.02684	1.1
81.03481	1.1
81.03872	0.2
83.01373	0.4
83.05028	5.0
84.02177	0.6
85.02932	0.6
87.00871	1.0
89.02438	2.3
89.92682	0.2
93.03413	0.3
95.01369	0.3
95.05025	0.7
97.02965	0.5
98.22489	0.3
101.02447	3.3
109.06579	0.7
111.08149	3.6
113.02426	1.7
119.03506	1.0
125.06069	0.5
125.09724	0.4
127.07628	0.3
135.08139	0.7
145.05011	0.4
147.11819	0.3
151.11270	0.3
153.12791	0.4
161.04593	1.5
163.11269	3.6
165.12849	2.3
169.12306	1.6
171.10257	1.0
179.05667	0.4
181.12332	1.3
183.13890	0.4
191.10773	1.0
191.85187	0.3
197.11823	19.0
198.12106	0.5
199.13423	1.6
209.11821	100.0
210.12134	5.0
211.13362	4.1
225.11311	0.3
227.12877	12.0
228.13213	0.4
235.08215	4.1
245.22839	0.3
253.09282	11.8
254.09712	0.5
263.20114	1.0
265.17920	0.3
291.19650	9.6
292.19919	0.4
293.21078	0.6
309.20697	33.5
310.21057	1.8
325.20148	0.4
342.90393	0.2
427.88312	0.3
445.20718	1.8
545.29956	0.5
755.42773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.1
61.98830	15.5
70.64216	0.7
71.01390	4.6
71.05055	0.9
73.02946	1.2
73.86037	0.7
78.91888	0.9
78.95888	0.8
80.02679	1.3
80.91679	5.9
80.96507	1.6
81.03461	1.7
82.95423	0.9
83.05034	5.3
84.02177	0.8
85.02941	1.5
87.74495	0.7
88.75244	0.8
88.80259	0.8
89.02435	2.5
94.55421	0.8
94.98112	0.8
95.05024	1.0
96.96003	4.6
97.06561	1.0
101.02404	3.6
110.22578	0.8
111.08155	1.4
113.02428	2.2
116.92845	1.8
121.10223	1.1
121.33018	0.9
125.09709	1.5
127.11297	0.8
135.29924	0.7
159.82314	0.7
161.04546	1.3
163.11337	3.4
165.12869	2.9
171.10269	20.2
185.11797	2.0
195.13863	1.2
197.11816	2.5
199.13388	1.9
207.10072	0.9
209.11827	100.0
210.12180	3.1
211.13405	28.6
212.13753	0.8
225.00800	1.0
225.11446	1.1
227.12883	17.9
235.08255	3.3
247.09579	1.0
247.20786	0.8
251.16479	2.2
253.09297	9.0
273.18652	1.0
282.13959	0.7
291.02261	0.7
291.19653	34.7
292.20016	2.2
309.20697	8.2
329.21149	0.9
334.00912	0.7
347.21954	0.7
347.45746	0.7
380.92389	0.7
385.26852	0.7
407.19336	0.8
445.20810	3.8
447.22516	0.9
463.21915	0.8
527.28485	2.0
755.43555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02431	0.6
65.00336	1.0
84.36205	0.5
93.03440	0.6
98.21763	0.7
107.01393	0.7
109.02985	1.1
121.02997	0.5
125.02425	1.4
133.02968	1.2
151.00360	3.6
169.01411	1.2
171.04485	0.6
175.03978	0.8
178.99867	1.6
191.05649	1.5
197.02400	0.6
199.03880	2.5
201.01913	0.7
215.03625	1.5
226.02759	1.2
227.03513	2.8
243.02931	3.7
246.72386	0.6
247.86249	0.5
255.02975	1.7
271.02463	52.8
272.02832	3.1
299.01959	100.0
300.02570	17.4
300.99936	1.3
301.03387	7.2
423.09274	1.8
440.47592	0.6
462.08023	20.6
463.08548	2.7
509.34998	0.5
595.13074	21.3
596.13287	2.8
757.18329	47.3
758.18488	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	757.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.2
59.16702	1.9
61.05239	1.8
61.98825	35.9
62.40161	1.8
62.76596	1.8
64.55458	1.9
71.01378	24.4
71.05009	3.0
73.02940	2.2
80.91679	5.6
82.95419	28.6
82.95887	3.3
83.05017	6.9
84.95121	4.0
85.00437	11.0
89.02431	3.3
97.02952	2.8
99.00880	5.9
101.02437	5.0
109.06549	11.4
113.02444	2.5
114.36704	2.3
125.02399	1.9
125.09667	3.5
135.08188	1.9
159.98679	2.2
161.04562	3.0
163.11264	16.1
165.12854	2.2
171.10266	7.7
181.12321	17.4
185.11841	3.0
199.13403	10.8
201.11525	2.2
207.10252	39.6
209.11816	100.0
210.12207	4.8
211.13211	3.1
225.11311	50.3
227.12886	27.2
235.08353	5.7
243.12323	13.6
253.09224	11.9
399.21716	2.2
417.22656	2.4
445.20944	2.7
446.36603	2.4
461.20200	13.8
479.21069	10.5
511.24271	2.3
528.24884	2.3
635.30597	6.3
653.30554	12.0
671.33026	14.6
689.33972	27.2
690.34076	2.6
721.36652	15.1
757.34741	5.1
758.33276	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	757.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.5
61.98825	100.0
64.71949	4.8
70.66788	6.2
79.73407	3.8
80.91678	5.5
81.52036	3.9
82.95430	36.2
94.27042	4.2
96.96016	47.8
98.95583	16.0
99.00900	5.5
108.80403	4.1
116.92847	6.9
171.10251	10.3
209.11844	40.8
211.13385	51.6
217.96931	4.3
227.13016	6.3
246.36989	4.6
253.09302	9.2
301.14816	4.9
327.21622	18.6
639.33838	9.0
757.37836	27.4
758.38495	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	757.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.9
61.98809	100.0
64.37885	21.2
69.50494	76.0
78.95885	42.0
84.05374	22.2
152.78203	23.0
183.88155	26.1
207.10361	27.0
211.13419	69.3
225.11327	46.5
277.21594	69.7
423.42471	28.3
492.69815	26.4
510.11679	27.1
721.42157	27.6
757.40125	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	32.4
68.37383	16.2
78.95898	54.6
88.47865	15.6
96.96927	23.6
98.22600	43.0
152.99498	25.5
178.09450	15.2
183.49670	17.5
207.10251	18.4
225.11302	31.0
247.83632	17.1
254.67595	16.1
272.51459	15.7
277.21674	55.0
304.82880	16.8
352.46179	18.4
356.60965	16.0
362.57141	15.0
434.86469	15.1
528.46185	21.8
757.39563	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	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.2
57.38360	0.8
59.01374	11.1
61.98829	68.3
71.01381	100.0
72.01733	1.9
73.02913	1.0
75.69173	0.9
78.95901	6.4
87.00867	1.6
89.02428	2.7
93.18068	0.9
99.00837	1.4
101.02435	2.3
105.70043	1.0
107.29936	0.9
109.06584	3.0
113.02443	1.9
124.91882	0.9
125.09726	1.8
127.11267	1.9
144.57729	0.8
152.99565	2.1
155.10838	1.4
163.11292	3.0
171.10265	71.3
172.10603	3.6
181.08710	1.4
181.12309	1.0
195.44847	1.0
199.09731	7.3
199.13422	1.0
201.11354	7.1
207.10236	8.6
211.13373	2.5
215.12779	1.5
225.11328	7.9
235.08188	3.7
251.02950	1.0
253.09290	9.3
277.21716	79.6
278.22031	9.6
291.19818	1.4
461.20218	2.5
525.74988	1.0
721.41522	3.5
757.43597	9.5
758.43335	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	758.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.48805	0.1
71.79971	0.1
78.95903	0.2
84.02802	0.1
89.94722	0.1
91.19559	0.1
98.21771	0.1
116.29303	0.1
209.11887	0.2
211.13521	0.1
240.35078	0.1
356.69434	0.1
404.86166	0.1
464.10663	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	759.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	58.3
60.01706	0.5
63.87200	0.4
68.84064	0.4
73.68835	0.5
83.20093	0.4
99.72018	0.4
112.68468	0.4
115.02486	2.5
117.00421	2.0
132.98201	1.9
141.00394	0.5
157.03545	1.1
159.01482	22.0
160.01599	1.5
162.97287	0.5
174.99236	22.9
199.98770	0.4
201.02538	11.0
202.02783	0.5
217.00279	100.0
218.00563	2.6
223.82208	0.5
232.98293	0.9
274.99261	1.4
290.97089	0.7
301.02615	9.1
302.02725	1.3
317.00385	18.0
318.00662	1.1
332.98190	3.6
359.01398	7.7
360.01514	0.7
366.49103	0.5
374.99219	13.2
375.99615	0.7
390.97299	0.4
417.00443	0.6
432.98312	0.6
459.01553	4.6
460.02002	0.6
474.99194	7.0
476.00043	0.6
517.00330	1.8
541.00519	2.5
542.00073	0.5
556.98285	16.0
557.98303	2.1
590.94299	0.5
617.00610	1.8
698.99670	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	759.358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.8
61.22651	2.8
61.98822	16.9
69.30425	13.7
71.01397	4.5
80.91685	10.3
85.00446	3.2
87.00871	2.7
89.93976	2.4
96.95992	4.5
98.21878	6.0
101.02448	3.9
111.46992	2.8
117.59705	2.6
167.52766	2.9
171.10280	9.6
186.84738	2.7
201.11351	22.1
209.11821	100.0
210.12187	6.8
225.11310	5.3
227.12848	21.6
228.13161	3.1
235.08240	4.8
253.09305	8.3
300.99945	3.9
313.49820	2.9
402.11343	3.2
445.20731	15.9
449.09921	3.3
629.31812	6.4
647.33051	4.0
655.33368	3.1
673.34442	4.3
759.36139	28.2
760.35651	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	759.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	42.0
70.95595	17.0
78.95913	100.0
147.72636	13.9
152.99538	29.0
209.11819	68.4
227.12914	30.3
253.21750	48.8
277.21759	43.1
311.22195	17.3
314.10086	17.9
410.95828	14.8
447.21628	30.1
580.17511	16.3
759.43665	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88975	5.4
61.98830	100.0
66.89812	6.4
78.95914	9.7
84.20884	5.6
100.37753	5.6
105.67247	5.2
111.07452	5.9
116.56437	6.1
124.63377	5.1
127.26260	6.7
211.13364	35.3
293.21255	33.4
447.22363	9.5
485.83463	6.0
494.67444	6.0
502.12314	6.0
759.41266	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	759.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67335	16.5
61.98828	43.2
70.57575	39.4
71.01334	19.7
78.91911	24.1
78.95918	53.4
82.42837	19.5
85.47833	15.8
91.61027	19.8
101.98730	17.9
123.36180	22.1
152.99588	31.5
171.10237	21.7
209.11864	52.6
227.12914	48.7
240.47400	19.3
253.21721	41.3
268.48740	22.6
277.21689	100.0
340.83188	22.2
463.21967	22.3
686.77179	19.8
759.42255	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.2
57.03442	0.5
57.45445	0.2
59.01377	1.2
60.99305	1.5
67.01887	3.8
68.06298	0.2
69.03461	1.0
69.42908	0.3
69.43253	0.8
71.01387	1.5
77.52741	0.2
81.03451	0.5
83.05013	0.5
85.02949	4.3
87.00335	0.2
87.00872	5.7
93.03455	24.9
94.03793	0.4
99.00901	0.5
99.04507	0.5
109.02963	0.6
111.04518	3.8
113.02458	0.4
115.04015	0.3
117.03474	0.8
123.00887	0.2
125.02442	0.5
127.04009	0.9
129.01945	0.8
134.03740	7.6
135.04057	0.2
137.02486	0.2
143.03459	0.3
149.06078	0.6
155.03526	0.6
160.01677	0.3
169.01445	0.9
171.02985	0.3
173.04543	9.7
174.04877	0.4
175.03963	0.5
178.02753	0.3
191.05611	100.0
192.05930	2.6
193.05046	4.9
242.99352	0.3
270.98779	1.0
298.98303	1.9
299.98874	0.6
300.99887	3.9
302.00113	0.3
367.10303	42.6
368.10681	2.8
450.99509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.04580	0.5
60.01701	0.6
61.98822	2.2
62.42721	0.5
71.01372	0.8
75.00863	0.7
82.95419	1.1
84.95136	1.1
85.00427	5.2
87.26471	0.5
96.96037	0.8
98.21866	1.1
103.00387	3.8
103.01495	72.9
123.10195	0.6
171.10233	0.6
193.61586	0.6
209.11862	0.8
211.13460	1.5
301.82657	0.6
547.32684	0.7
683.27130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98581	9.4
61.98831	100.0
69.91673	12.8
69.92046	32.2
78.95892	16.6
113.62289	9.5
130.53557	8.5
166.41019	9.4
185.11855	13.1
211.13412	31.0
277.21713	37.3
378.42606	10.9
534.79681	11.1
618.04327	10.4
689.60828	12.2
761.42450	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
59.77532	0.2
67.01890	0.3
69.03456	0.2
69.13543	1.1
71.01378	0.6
77.97338	0.2
85.02947	6.0
87.00869	1.4
93.03456	3.5
98.22668	0.5
99.04514	0.4
103.17674	0.2
109.02951	0.5
111.04494	0.8
127.04030	1.4
134.03728	1.5
143.03481	0.2
160.01640	0.3
171.02982	0.4
173.04579	1.6
173.76637	0.2
175.03932	0.2
179.81889	0.2
189.26341	0.2
191.05611	100.0
191.30452	0.2
192.05956	2.3
193.01421	0.3
193.05035	0.9
299.30643	0.2
367.10327	21.2
368.10742	1.3
477.00937	0.2
479.08411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60144	0.4
59.01377	0.7
60.99307	16.2
61.98820	0.7
68.44643	0.4
71.01357	0.6
71.43600	0.6
75.37376	0.4
85.00431	1.2
87.00893	3.1
88.00373	0.5
88.01243	0.8
88.98805	100.0
89.02445	18.1
89.03010	0.9
89.99146	1.3
95.01485	0.4
105.06261	0.5
138.72560	0.5
150.14636	0.4
209.11823	14.3
210.12216	1.3
211.13255	0.7
227.12747	2.4
228.13223	0.5
228.62930	0.5
235.08238	0.7
253.09343	1.3
281.04706	0.7
562.70129	0.5
700.75330	0.6
727.25879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	23.8
59.95499	2.4
60.99297	5.8
61.98830	100.0
62.57388	2.7
64.25517	2.4
72.99296	3.9
73.91829	2.5
78.18839	2.5
79.38142	2.5
85.00430	7.3
88.98819	31.5
90.03271	2.6
92.92793	6.7
103.01478	10.4
104.18383	2.2
116.92854	11.6
171.10399	3.1
202.19109	2.8
209.11880	26.4
210.12192	5.7
211.13426	5.0
227.12881	8.0
246.88441	2.8
253.09315	4.5
269.91446	2.5
281.17545	9.4
763.36761	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	764.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98824	5.8
70.92378	0.8
71.01359	2.6
83.05043	4.1
88.98793	1.8
89.02429	1.5
101.02451	2.6
103.01504	2.9
105.01932	3.4
112.23431	0.9
113.02466	1.7
119.03488	1.4
161.04491	1.2
163.11287	2.6
165.12865	2.8
179.05641	1.1
183.13857	4.3
193.12289	1.8
209.11826	90.0
210.12152	5.7
211.13387	100.0
212.13757	4.3
227.12877	15.1
228.13171	0.9
235.08246	2.6
243.16321	0.8
253.09251	7.8
259.51791	0.9
282.38220	0.9
296.32513	0.8
429.21350	2.3
445.20709	7.4
447.22269	12.2
620.38348	1.1
621.32715	2.3
639.33734	5.4
657.34772	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	764.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54980	1.0
59.01368	3.2
59.99651	1.0
60.57265	1.0
61.98828	5.8
66.48714	1.0
70.57302	1.5
70.57648	1.8
71.01382	1.6
82.80280	1.0
87.00879	1.2
97.02937	3.0
99.00864	5.2
101.02413	1.6
108.54963	1.0
110.03719	1.1
113.02386	1.2
141.06328	1.1
157.78264	1.4
163.11287	3.4
181.12308	6.2
207.10236	24.2
225.11290	55.6
226.11601	2.3
235.08171	3.4
243.12361	5.7
253.09265	2.6
277.21698	100.0
278.22076	6.9
347.01581	1.1
443.19354	6.2
449.93524	1.1
461.20367	7.0
552.05841	1.4
721.41644	24.9
722.42157	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	764.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92534	1.2
59.01377	3.9
61.98829	1.3
71.01398	2.8
80.72923	1.2
83.93393	1.1
84.39207	1.2
89.02448	2.2
97.02927	3.3
98.21769	2.1
99.00908	8.4
101.02451	1.8
109.06583	2.0
110.03777	1.5
125.09683	2.5
157.04454	1.8
163.11299	5.1
181.12346	10.9
207.08272	2.0
207.10255	38.4
208.10574	2.0
211.00826	1.3
225.11320	100.0
226.11705	5.1
235.08267	2.5
243.12395	9.6
247.63136	1.4
253.09373	3.8
255.08672	1.4
267.79489	1.3
277.21738	90.8
278.22095	5.9
443.19250	4.4
461.20282	51.1
462.20905	2.6
721.41760	31.4
722.42065	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	765.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65854	1.3
59.01371	1.5
69.20848	4.2
69.21253	3.4
71.01384	1.9
71.26378	1.2
81.03455	2.2
116.27333	1.3
123.00881	1.7
124.01656	5.8
125.02444	30.8
132.86769	4.7
133.01437	1.6
137.02489	1.7
142.51373	1.4
145.03021	2.5
149.02400	1.6
161.02426	2.7
162.03104	2.1
163.03986	1.6
165.01941	3.4
168.00587	4.3
169.01425	30.0
177.01852	2.2
183.02945	2.0
190.02644	4.0
192.00674	7.3
193.01442	12.6
205.01340	2.2
206.02188	4.0
207.02985	10.0
211.02420	9.5
234.01727	8.5
235.02463	9.8
240.77179	1.6
249.04207	2.8
295.94107	1.3
360.01263	1.5
479.08234	3.3
585.55829	1.8
605.47424	1.6
631.09314	100.0
632.09308	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	765.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.2
63.96214	2.3
69.50034	4.6
69.50414	3.1
71.01388	10.5
71.54547	1.8
72.93073	1.8
73.02966	2.5
75.98227	1.7
78.98584	6.9
79.95731	17.4
80.96515	100.0
87.00842	3.9
94.98088	20.5
97.02933	2.7
98.21787	2.2
101.02402	2.9
106.98072	3.6
107.27718	2.1
117.53074	1.7
122.97592	5.3
125.02405	3.2
134.97569	6.7
148.99109	7.8
152.98605	6.5
164.98604	14.0
225.00696	21.6
242.86494	1.9
255.23033	1.9
386.27954	1.8
445.71902	2.1
509.17035	3.7
537.27478	2.4
734.81531	2.1
765.40887	83.6
766.41553	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	765.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91238	1.5
59.01358	2.8
63.96193	1.5
69.89606	4.4
71.01373	6.4
73.02930	2.7
74.69506	1.5
74.71412	1.3
78.98579	5.4
79.95721	12.8
80.96511	66.1
87.00867	2.8
94.98089	14.6
98.21916	2.6
101.02464	1.9
102.77343	1.3
106.98103	3.1
112.92235	1.4
122.97551	2.9
125.02432	3.1
134.97560	3.9
136.99174	1.5
148.99121	5.7
152.98656	6.8
160.83575	1.4
164.98598	11.5
193.72556	1.4
206.99686	2.4
222.02243	1.3
225.00740	21.4
509.17001	3.0
512.24121	1.5
765.40875	100.0
766.41132	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	766.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71627	0.3
58.97884	0.3
59.01372	0.4
61.98827	100.0
69.43315	0.3
71.01373	0.4
71.14192	0.5
71.99796	0.3
75.00864	0.3
78.19378	0.3
88.98815	0.9
94.35549	0.3
139.96500	0.3
165.57513	0.3
209.11916	0.8
211.13509	0.9
218.70464	0.3
358.80386	0.3
370.66336	0.3
532.99139	0.3
575.11401	0.3
699.61572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19127	0.6
59.01376	5.4
62.42488	0.5
68.30800	0.5
69.59989	1.2
71.01389	2.7
73.02946	0.7
80.02687	0.8
81.03437	1.1
83.05021	3.5
85.02947	0.9
87.00877	1.1
89.02453	1.8
101.02451	2.2
113.02460	1.8
145.05061	1.0
161.04555	0.8
163.11290	2.4
165.12845	1.4
181.79733	0.6
191.10674	0.6
199.13466	0.5
203.43906	0.6
209.11821	75.4
210.12083	2.8
227.12907	9.6
235.08212	7.1
237.98738	0.5
253.09230	9.6
275.20035	0.6
277.21707	100.0
278.22043	6.0
316.94223	0.5
372.69873	0.6
445.20700	1.0
524.12128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65751	0.3
59.01379	2.9
71.01368	1.7
73.02926	0.7
80.02674	0.7
81.03469	1.0
83.05018	3.8
84.02162	0.5
85.02953	0.6
87.00880	0.4
89.02452	1.7
94.49984	0.3
95.01366	0.4
95.05029	0.4
101.02463	1.7
101.89558	0.3
113.02454	1.3
116.74686	0.4
116.94595	0.4
119.03528	0.6
125.06102	0.4
135.08197	0.6
161.04587	0.7
163.11278	3.0
165.12813	1.6
181.12260	0.4
191.10786	0.5
192.56966	0.3
207.10211	0.4
209.11826	100.0
210.12149	3.4
211.13432	0.8
227.12885	12.6
228.13347	0.4
235.08189	1.5
237.61441	0.4
253.09312	7.3
277.21719	49.9
278.22031	2.4
437.82986	0.4
445.20786	3.0
463.21747	0.4
499.29688	0.4
517.62610	0.3
521.53516	0.3
590.38892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73346	0.6
59.01380	2.9
59.94978	0.5
61.98824	0.9
71.01376	2.7
89.02448	1.9
93.33907	0.6
101.02434	3.5
113.02440	1.1
125.98546	0.6
145.25389	0.5
161.04533	1.7
167.10680	0.7
167.14439	0.8
179.14436	0.7
183.13866	4.1
193.12299	1.0
195.13916	4.1
196.14627	1.2
205.12250	0.7
209.11844	1.4
211.13396	100.0
212.13742	3.6
223.13429	2.4
235.08282	4.5
253.09274	15.0
256.13025	0.7
275.20221	4.0
293.21216	69.5
294.21533	3.6
410.65799	0.7
447.22369	10.0
487.34247	0.9
510.99014	0.7
511.29300	0.7
529.30328	2.3
579.33679	0.7
723.43713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1098
Annotation	Myricetin 3-(2'',3''-digalloylrhamnoside)
Peak:m/z	Relative Intensity
59.01366	2.0
61.98813	3.5
63.43665	1.4
69.03462	3.0
69.12524	1.7
69.30299	5.2
69.30711	3.4
77.70045	1.4
79.01867	2.5
95.01381	12.9
96.95990	1.9
97.02970	3.5
97.56030	1.5
107.01372	4.8
108.02135	1.8
109.02968	21.9
111.00909	2.3
119.05035	2.1
119.07161	1.5
123.00883	39.3
124.01657	17.7
125.02444	60.5
131.05042	3.1
135.04526	2.1
137.02475	2.5
139.00446	1.6
140.01108	2.1
141.01897	2.1
142.70815	1.8
145.02986	2.8
149.99561	5.8
151.00279	3.4
151.04004	1.8
153.01961	14.6
153.80634	2.0
159.04543	3.8
160.01627	3.3
161.02513	3.1
165.01988	2.0
166.99850	10.5
167.03456	2.1
168.00652	17.0
169.01419	44.3
171.04459	2.2
173.02441	1.9
173.42574	1.8
177.01883	2.3
183.03008	2.3
187.03990	5.0
188.04738	2.1
189.01976	3.6
190.02676	3.5
190.99844	1.7
191.03458	1.9
192.00661	9.0
193.01378	10.3
203.03444	3.3
204.04150	1.8
205.01334	2.1
206.02150	3.2
207.02942	7.4
209.11896	2.3
211.02487	6.1
215.03473	4.6
217.01433	3.8
219.02954	3.3
230.33228	1.8
231.02954	14.1
232.03766	8.8
233.04402	2.9
234.01674	5.8
235.02467	7.1
246.01631	8.3
247.02274	4.2
249.04083	6.3
259.02454	8.8
260.03265	31.4
261.04019	11.4
264.42731	1.7
275.05634	4.4
276.02679	14.7
277.03458	3.5
291.05072	6.4
298.04907	1.6
341.06686	3.2
428.04037	1.9
430.05481	2.9
443.06262	9.9
444.06650	1.9
445.07507	4.5
460.56461	1.7
461.07184	2.1
613.08118	4.0
614.42743	1.6
615.09735	13.2
631.09576	5.1
731.14563	5.7
767.11078	100.0
767.24292	13.9
768.11163	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	767.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.0
57.91953	1.0
58.00587	1.6
59.01378	11.6
65.00322	1.2
67.01886	1.1
69.03451	2.1
71.01387	8.4
71.45306	1.0
73.02945	4.7
79.01884	2.5
81.03437	1.1
83.05020	1.1
85.02950	8.2
87.00895	1.5
87.04521	17.7
87.05032	0.9
95.01405	5.2
95.05022	1.1
96.96011	1.2
97.02935	5.1
99.04475	1.6
101.02421	3.9
107.01393	6.0
108.02177	20.9
109.02215	2.1
109.02956	42.9
110.03269	1.5
111.00827	1.1
111.08235	1.1
113.02441	4.2
121.06644	0.9
123.00887	24.1
124.01630	4.4
125.02457	37.9
134.89479	1.2
135.08163	2.5
137.09703	18.2
139.00380	2.4
139.07642	2.2
139.11304	2.0
141.01938	3.8
151.00365	10.8
151.11282	2.9
155.10779	69.3
156.11145	2.3
161.04547	1.2
163.07634	1.4
168.00645	3.4
169.01418	41.1
169.12396	6.6
170.01715	1.6
179.10786	6.6
181.08733	7.5
191.10759	3.4
193.12338	1.7
193.46077	1.2
195.10249	3.9
199.09787	24.8
211.02451	5.5
213.11337	9.2
223.09830	2.0
227.12952	1.2
237.11252	2.2
241.10796	15.8
255.12334	3.3
271.04568	4.8
283.11874	9.1
300.99854	3.2
313.05719	8.4
435.16699	5.2
450.99130	2.4
453.17657	58.8
454.17902	6.6
597.12030	1.5
605.18890	8.4
606.18573	1.7
647.20068	3.5
767.24023	100.0
768.24310	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
60.99305	14.0
69.29839	0.9
71.01390	0.2
77.63300	0.2
83.40218	0.2
87.00874	2.1
88.00398	0.7
88.01238	0.4
88.98802	100.0
89.02439	13.3
89.99140	0.5
106.35982	0.2
121.66787	0.2
125.02418	0.2
147.99086	0.2
169.01321	0.2
191.05644	0.3
225.16174	0.3
383.75571	0.2
447.45825	0.2
459.74170	0.2
593.59692	0.2
677.49609	1.4
767.24579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98829	100.0
71.01377	0.5
71.44341	0.2
78.91891	0.2
78.95918	0.2
80.15896	0.2
80.91702	0.2
92.92793	0.2
96.70054	0.2
96.96003	3.8
119.94724	0.2
144.19650	0.2
159.61458	0.2
170.99565	0.2
179.02892	0.2
207.10361	0.5
209.11896	0.5
211.13466	0.5
211.81798	0.2
225.11409	0.3
227.13106	0.2
253.09210	0.3
461.20178	0.2
748.73224	0.2
769.33197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00231	0.1
61.98830	100.0
70.51343	0.2
180.48453	0.1
306.66251	0.1
433.85672	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	768.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.54816	0.2
78.91888	1.2
80.16315	0.3
86.01690	0.3
90.29897	0.3
92.92783	0.4
96.96021	2.4
207.10263	0.3
209.11861	0.7
211.13431	0.5
225.11502	0.3
248.60431	0.2
291.30392	0.3
320.47137	0.3
391.03339	0.4
461.04184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98826	100.0
62.98532	0.2
71.10044	0.2
78.22648	0.1
171.59538	0.1
197.11969	0.2
201.00777	0.2
209.11821	0.3
211.13437	0.5
212.13773	0.4
213.13899	0.2
393.43311	0.1
410.38644	0.2
769.40674	0.3
774.42889	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	769.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44903	1.1
59.01375	8.9
60.64549	1.2
61.98829	96.1
63.96243	1.6
69.24389	5.5
71.01382	12.4
73.02924	2.1
78.68843	1.2
78.91880	1.7
78.95885	1.2
78.98582	7.0
79.38305	1.1
79.95734	14.9
80.96515	82.2
81.03434	1.7
85.02927	3.9
87.00853	3.1
89.02409	1.7
89.85075	1.1
91.75275	1.3
94.78822	1.2
94.98076	16.2
96.96004	3.1
97.02973	2.5
101.02421	5.1
106.98060	3.8
110.94499	1.3
122.97553	4.0
125.02414	4.6
125.72672	1.1
134.97581	6.2
136.99117	1.7
148.99162	5.8
152.98618	7.0
164.98654	16.5
169.01408	1.6
206.99649	3.2
209.11801	7.7
225.00752	27.4
261.80527	1.4
285.86142	1.1
296.69568	1.3
497.27377	1.6
509.16800	2.5
541.19293	2.9
589.33752	5.2
769.32916	100.0
770.34039	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	769.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36646	1.6
59.01376	10.1
61.98826	34.9
69.03443	3.8
71.01370	4.8
71.87321	1.9
73.02906	1.7
84.03242	1.5
85.02937	2.8
92.17792	1.7
98.31161	1.5
101.02439	3.7
111.08143	2.8
123.08190	1.9
151.11227	2.2
153.12769	1.8
161.09688	1.8
169.12326	3.1
171.10213	5.2
172.45087	1.5
179.10750	5.4
197.11824	84.8
202.17145	1.6
209.11807	5.3
211.13391	4.6
223.09718	2.3
225.11238	1.7
225.42290	1.6
231.72325	1.9
241.10771	4.4
253.09299	3.1
291.19507	2.2
309.20679	2.9
769.40143	100.0
770.40009	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	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01362	5.0
61.98824	21.0
69.03446	5.3
71.01371	8.3
73.02919	1.8
76.60127	1.3
83.04995	1.3
88.40910	1.3
89.02422	4.1
96.95913	1.1
101.02426	3.3
111.08136	4.7
113.02430	1.9
123.08192	1.5
125.09639	2.3
129.49377	1.2
151.11237	2.4
153.12814	2.3
161.04509	1.3
161.09715	2.9
169.12430	1.6
171.10197	3.2
179.10689	6.1
181.12317	1.3
197.11819	88.8
198.12154	2.7
209.11736	2.7
211.13368	4.1
223.09702	2.2
236.68793	1.4
241.10829	3.7
253.09302	3.9
263.20456	1.2
282.86887	1.3
291.19827	1.6
307.19080	2.3
309.20728	2.5
389.97464	1.6
403.58380	1.6
435.23428	1.3
459.18829	1.6
609.26105	1.4
769.40155	100.0
770.40607	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	770.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26322	0.1
61.98828	100.0
62.98523	0.1
69.14757	0.5
69.15154	0.2
108.02190	0.2
109.02976	0.4
125.02449	0.2
155.10818	0.4
161.04579	0.2
183.47581	0.1
199.09813	0.2
271.08243	0.3
435.16681	0.3
450.52121	0.1
453.17548	0.9
454.17557	0.1
475.73969	0.1
670.96924	0.1
698.73694	0.1
707.25244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98829	100.0
71.01382	0.7
71.45033	0.5
78.91895	0.7
79.95748	0.7
80.91676	0.6
80.96509	2.7
82.75179	0.5
87.64001	0.4
93.02331	0.4
96.96014	1.3
109.02946	0.5
125.02444	0.6
209.11827	1.6
221.90540	0.5
225.00771	0.5
293.00089	0.5
770.32123	2.1
771.34076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.22267	0.3
94.79910	0.3
104.44368	0.3
112.23589	0.3
244.03197	0.3
331.96387	0.4
371.83884	0.3
444.13608	0.3
581.93341	0.4
740.08734	0.3
771.39410	0.4
794.73840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.0
73.12061	0.3
78.95909	3.2
79.95726	3.3
82.95403	0.4
94.98086	0.6
96.96009	100.0
96.96898	4.2
118.81929	0.3
131.87120	0.3
169.79358	0.3
209.11826	3.1
227.12994	0.5
237.08043	0.3
265.07541	3.4
266.07758	0.3
291.04089	0.3
307.08627	0.4
316.96268	0.3
328.68198	0.3
457.19138	0.8
483.09384	0.3
483.15439	1.7
771.34338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.7
61.98825	41.2
70.64853	21.7
71.01354	20.2
78.95909	34.3
132.12408	10.8
152.99615	19.1
154.09900	12.3
162.34320	11.6
203.26866	12.5
209.11818	31.1
211.13277	20.9
223.13409	74.8
249.18503	16.2
253.09256	15.0
291.19714	13.1
293.21185	79.2
367.41833	13.8
446.01358	13.7
681.44214	13.3
771.41113	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	771.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.5
59.01379	18.6
61.98824	2.6
69.03444	4.3
69.81381	1.1
70.73796	1.9
71.01381	36.2
73.02956	6.8
78.95874	1.3
80.02668	3.2
81.03455	4.9
83.01390	3.8
83.05016	10.7
84.02168	1.4
85.00463	1.3
85.02956	6.6
87.00887	5.3
89.02451	7.4
93.03462	1.1
95.01377	1.8
95.05031	3.1
96.96009	7.1
97.02958	8.5
97.06596	4.9
99.00874	3.5
101.02444	10.0
109.06599	8.0
110.03764	2.0
111.00876	1.5
111.04517	1.3
111.08150	3.7
113.02462	5.6
119.03503	1.9
121.06609	1.6
123.04543	1.9
123.08224	1.6
125.09718	8.5
127.11286	3.4
135.08150	3.1
137.09735	4.6
138.28000	1.1
139.07698	1.4
143.03508	2.8
145.05078	1.5
151.11282	1.1
153.09175	1.3
155.10796	3.1
161.04524	4.7
161.09721	2.1
163.10001	1.6
163.11275	15.9
165.09219	1.9
165.12839	7.7
167.06918	1.1
167.10780	1.6
171.10271	70.3
179.05635	1.4
179.10732	2.8
179.14436	1.7
181.12350	7.3
183.10226	2.0
183.13991	1.5
185.11839	10.9
189.09152	1.8
189.12741	1.3
191.10849	2.0
191.14401	3.7
193.12341	1.8
196.30040	1.1
197.11809	16.1
201.11317	28.8
202.11577	1.5
207.10268	31.9
208.10677	1.3
209.11824	100.0
210.12202	3.5
211.13335	11.5
212.13710	1.4
215.12926	2.7
216.37244	1.1
224.66574	1.1
225.11314	55.9
226.11656	1.6
227.12877	12.7
235.08212	9.6
243.12274	3.1
245.19144	6.1
247.20642	3.5
253.09261	32.8
273.18500	1.9
284.28729	1.2
289.18082	21.5
291.19653	53.0
292.20032	4.7
295.10406	2.6
307.19208	13.3
308.19717	1.1
309.20715	87.9
310.21036	5.0
341.23254	3.8
443.19196	3.8
445.04254	1.1
461.20413	8.1
475.24020	1.2
543.28162	1.3
545.29919	1.5
592.73828	1.1
645.88513	1.2
717.38538	2.6
735.39557	2.6
753.41180	6.3
754.40771	2.1
771.40814	7.3
772.42200	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	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
57.08180	1.6
59.01377	27.3
61.98828	18.8
63.99224	1.4
69.03443	3.8
71.01378	90.8
72.01694	1.9
73.02942	6.8
80.02679	3.3
81.03452	5.2
83.01368	3.3
83.05021	10.2
84.02172	1.7
85.02965	5.9
87.00876	5.7
89.02446	8.2
95.05028	3.0
96.96005	29.3
96.96957	2.1
97.02956	9.5
97.06585	5.3
99.00869	2.1
101.02446	12.5
101.64641	1.3
109.06583	18.4
110.03738	2.7
111.00859	2.5
111.04520	1.8
111.08172	10.0
113.02444	9.1
116.97952	1.5
119.03501	3.0
125.09719	8.8
127.11253	3.5
135.08118	3.0
137.09741	4.6
142.02826	1.7
143.03508	3.5
145.05057	3.2
150.01048	1.5
151.11308	3.9
153.12856	2.2
155.10791	2.8
161.04514	4.0
161.09760	1.8
163.11279	18.0
165.09258	1.8
165.12839	7.6
167.10828	3.1
169.12354	4.7
171.10263	79.3
172.10648	3.7
179.05652	2.7
179.10782	3.1
181.08707	7.6
181.12358	9.1
183.10330	2.0
183.13951	3.3
185.11775	7.5
189.09267	3.6
191.10851	2.9
191.14453	2.7
193.12247	2.4
197.11815	50.9
198.12244	2.9
199.09831	3.3
199.13402	5.8
201.11298	33.4
207.08257	2.7
207.10243	52.5
208.10664	1.8
209.11824	100.0
210.12131	4.2
211.13359	26.4
215.12895	6.4
221.48470	1.6
225.11313	63.0
225.14786	2.5
226.11662	3.2
227.12852	14.7
235.08205	10.1
243.12363	3.5
245.19083	4.2
247.20695	1.8
253.09279	40.4
254.09703	3.0
263.20117	5.0
273.18582	2.4
275.20117	2.3
289.18149	12.3
291.19672	39.2
292.20120	2.1
293.21143	10.8
295.10410	1.9
307.19122	8.0
309.20688	96.1
310.21103	5.9
341.23309	8.5
407.19208	1.8
443.19302	3.8
461.20209	14.1
477.66562	1.7
479.21198	2.4
717.38818	2.6
717.52185	1.7
735.39679	1.8
753.40527	10.1
754.41138	2.4
771.42218	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	773.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
59.01378	84.6
71.01379	38.9
73.02931	2.6
81.03461	1.4
83.01394	2.7
85.02959	10.5
87.00896	2.7
89.02444	31.5
93.03463	5.4
95.01380	6.7
99.04518	48.2
101.02429	20.7
107.05120	1.5
107.08672	2.0
109.02946	1.9
109.06589	1.6
111.04533	3.4
113.02457	16.6
119.03500	8.5
121.06590	3.3
121.84612	1.4
123.00873	4.5
125.02446	10.4
126.14777	1.5
131.52106	1.4
137.02452	7.7
161.04561	3.1
165.01939	6.0
169.01465	6.4
179.03523	2.6
179.05554	2.7
183.02983	5.7
189.12849	13.3
191.05569	13.4
192.05948	3.2
193.06097	2.0
207.13901	52.5
208.14159	3.1
231.13834	2.6
233.11877	2.8
239.05641	3.5
251.12875	96.2
252.13200	4.8
258.84952	1.5
269.13971	3.0
275.01862	2.9
275.12842	2.9
281.43918	1.5
299.07800	3.0
300.99948	9.2
302.00119	2.0
390.52655	1.8
413.18256	16.6
415.16159	3.6
431.19189	77.5
432.19644	3.8
437.10852	5.6
438.11154	3.2
449.20248	3.4
453.03928	2.3
473.20209	4.7
566.14380	1.7
593.24463	68.1
594.24933	7.5
611.25519	100.0
612.25903	10.5
621.11426	1.6
637.20105	1.8
653.26892	2.9
773.20697	1.9
773.31360	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.23371	1.6
61.98829	12.8
64.56752	2.1
65.49045	1.9
69.86156	4.3
69.86507	4.1
71.01375	3.3
78.95911	4.0
83.05035	3.0
96.96011	2.3
98.22531	2.1
104.98392	1.8
111.08088	2.5
125.06116	1.8
127.67638	2.3
127.71680	1.8
136.30141	2.2
171.10255	3.8
195.13969	2.7
197.11798	2.5
209.11835	100.0
210.12177	8.4
211.13426	3.6
227.12930	22.6
235.08171	2.5
238.85393	1.9
253.09329	13.5
265.35098	2.4
291.19659	66.2
292.20023	4.9
293.21164	6.1
294.21481	6.1
445.20807	10.1
493.86465	2.2
509.27145	2.5
527.28595	4.1
564.29572	2.1
719.40021	6.0
737.40979	5.4
773.39276	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	773.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03444	0.5
59.01377	5.8
61.98830	3.0
64.80362	0.3
69.03435	0.6
71.01381	4.9
71.05028	0.3
72.99319	0.4
73.02931	1.3
75.54109	0.3
80.02660	1.1
80.91682	0.4
81.03460	1.2
82.95396	1.3
83.01387	1.0
83.04555	0.5
83.05025	4.8
84.02141	0.7
85.02947	2.9
87.00864	0.8
89.02433	2.7
95.01379	0.4
95.05006	0.8
96.96008	2.8
97.02917	0.8
97.06577	2.8
98.21848	1.0
99.00892	0.5
99.92572	0.5
101.02438	3.3
111.04488	0.4
111.08162	0.4
113.02441	1.9
116.92847	2.5
119.03486	1.2
125.02479	0.5
125.06131	0.3
125.09721	1.1
127.11298	0.8
131.03519	0.3
133.05127	0.4
135.08220	0.8
137.09695	0.5
143.03452	0.6
145.05066	0.8
155.10767	1.1
157.05016	0.6
161.04553	1.7
163.11301	4.1
164.11862	0.3
165.12814	3.1
167.14392	0.6
171.10272	5.3
171.11662	0.5
177.12737	0.7
179.05638	0.7
181.12399	1.1
183.13901	2.1
185.11830	1.0
191.10831	1.0
193.12320	0.7
197.11850	0.5
199.13399	0.3
207.10262	0.5
209.11824	100.0
210.12157	3.9
211.13400	11.6
212.13667	0.4
221.11807	2.5
227.12880	13.4
228.13162	0.5
229.14429	8.7
230.14766	0.5
235.08197	7.9
239.12933	1.3
245.19324	0.3
247.20706	0.4
253.09282	19.6
254.09668	0.4
273.18561	0.4
287.01160	0.3
291.19644	3.9
309.20706	8.5
325.20203	0.4
327.21750	57.6
328.22086	3.0
399.85114	0.3
445.20752	2.2
519.33258	1.0
537.34521	0.4
545.29431	1.2
563.30603	2.8
646.41907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	64.4
60.01722	0.5
61.98861	0.4
65.37582	0.5
73.12030	0.5
101.37894	0.5
115.02525	1.7
117.00461	2.2
132.98199	4.3
159.01483	20.4
160.01634	1.1
174.99232	32.6
175.99530	0.8
200.29648	0.5
201.02536	6.0
202.98650	0.5
217.00278	100.0
218.00693	2.8
218.83351	0.5
232.98225	1.2
233.98851	0.5
244.88499	0.5
248.95824	0.8
274.99344	2.9
290.97141	3.8
298.99173	0.6
301.02682	3.8
302.03000	0.5
317.00381	22.2
317.24130	0.5
318.00461	1.8
325.10031	0.5
332.98178	16.5
333.98303	1.1
337.71216	0.5
348.96146	1.1
351.08673	0.5
359.01495	3.7
364.46304	0.5
374.99164	17.5
375.99323	1.1
390.97150	1.2
405.15054	0.6
432.98145	1.0
448.96353	0.6
459.01285	1.4
474.99347	10.2
475.99359	1.4
478.71213	0.6
490.97012	3.6
532.98376	3.1
556.98291	11.4
557.98651	2.4
570.98553	0.8
572.96106	11.1
573.95856	1.2
588.98596	0.6
590.96631	0.9
616.99982	1.0
632.98077	8.2
633.98181	1.3
714.97174	5.2
715.97241	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	775.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.6
59.01368	2.4
60.99290	1.2
67.01885	3.5
69.03432	1.1
69.36220	1.8
69.42439	0.4
69.54446	0.4
71.01379	4.0
73.02943	1.4
81.03447	1.1
83.05019	0.7
85.02950	5.7
87.00885	6.0
93.03457	25.1
94.03795	0.6
99.00885	0.9
99.04532	0.6
101.02433	1.5
107.01397	0.9
108.02170	6.7
109.02953	29.1
111.00880	0.8
111.04523	3.3
113.02460	1.3
117.03430	0.8
125.02531	0.7
127.04005	1.2
129.01907	0.5
134.03737	7.8
137.02425	0.8
139.23848	0.4
149.88380	0.4
151.03983	0.5
152.01128	1.5
153.01932	36.3
154.02310	0.7
160.01617	0.6
163.03967	0.7
173.04556	9.2
174.08139	0.4
175.04001	0.5
177.01888	0.5
191.05603	86.7
192.05949	1.9
193.05052	4.5
195.03032	1.0
224.33568	0.4
237.04099	0.7
274.79065	0.5
297.06134	10.6
298.06470	0.7
367.10306	33.3
368.10675	2.6
372.24640	0.5
407.09802	100.0
408.10229	7.3
576.25946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
60.25994	2.6
61.98820	9.0
67.80509	2.6
70.77570	2.9
71.28774	2.6
78.95897	4.2
88.12989	3.1
89.02402	3.4
91.91704	2.6
100.80255	2.7
110.76302	2.9
112.52949	3.1
113.02482	2.6
147.75902	2.5
161.40836	3.0
209.09795	4.5
209.11819	81.4
210.12265	4.4
211.13406	3.0
227.12943	20.6
235.08162	2.7
253.09335	23.5
275.20044	4.3
293.21222	100.0
294.21460	6.3
370.00363	2.8
445.20731	5.8
529.29938	6.5
775.40363	53.8
776.41614	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	775.406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.09406	6.5
70.44002	12.3
73.08535	5.9
75.21592	6.3
76.21958	5.3
78.95905	9.1
83.12737	5.9
125.48595	8.0
129.16048	5.7
139.20125	5.9
148.14494	5.7
209.11633	7.9
211.13419	21.1
226.14398	6.0
227.12598	6.4
253.09219	8.6
253.95354	6.5
291.19699	16.5
293.21283	21.6
309.20752	9.3
387.44193	5.5
447.21967	7.8
482.47058	6.7
695.40350	6.5
775.40051	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	9.8
61.98829	87.8
70.94885	8.9
78.91897	8.5
78.95901	23.8
98.21925	8.6
100.79456	7.0
109.06536	8.6
197.11823	18.4
207.10225	12.5
209.11823	30.1
211.13406	100.0
227.12971	14.9
235.08272	19.2
253.09286	23.8
291.19763	15.9
293.21204	30.1
309.20670	49.2
414.28601	10.2
447.22290	23.5
461.20926	9.9
590.82635	8.3
612.18073	8.6
649.81354	7.9
737.40765	14.1
775.40631	63.5
776.41150	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.5
61.98830	11.6
64.98061	1.5
70.49596	2.9
71.01372	16.2
78.95904	9.1
83.05016	3.6
85.02948	2.2
87.00891	2.3
89.02436	4.6
97.02952	1.7
99.00908	2.3
101.02448	6.2
109.06584	26.7
113.02478	2.5
124.33340	2.1
135.08134	3.4
137.10526	1.8
152.99510	4.7
161.04581	4.2
163.11293	18.4
171.10286	5.8
181.12347	4.5
185.11853	2.4
189.09149	3.0
199.09674	2.4
207.10248	100.0
208.10631	5.8
209.11794	9.5
225.11319	50.9
226.11705	2.8
235.08292	4.5
253.09198	18.1
277.21722	94.3
278.22040	6.3
293.21158	6.4
299.15036	1.8
417.81451	1.8
441.33466	2.2
443.19144	5.0
461.20358	21.9
462.20551	2.5
551.46173	2.0
573.60065	2.0
611.02087	2.0
659.66071	2.1
721.41736	23.5
722.42499	9.0
769.52393	2.0
775.47968	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	775.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	84.2
64.72029	42.8
69.87183	46.2
69.87533	100.0
78.95860	45.0
79.29238	35.2
82.82295	39.3
88.79037	38.5
152.21426	37.0
152.99580	51.4
157.81898	40.5
199.35806	41.6
211.13387	98.0
230.75458	35.6
277.21680	70.9
496.17123	44.4
775.43597	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93617	0.1
78.95902	3.6
79.95734	3.2
83.96877	0.1
85.40771	0.1
85.74041	0.1
94.98080	0.5
95.97623	0.2
96.37228	0.1
96.75508	0.1
96.96011	100.0
96.96898	4.5
97.95921	0.3
120.18877	0.1
132.66557	0.1
146.65166	0.1
222.60373	0.1
485.27695	0.1
615.60986	0.2
775.47589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
64.83569	0.5
67.01878	0.6
69.03456	0.7
69.28587	0.6
69.63078	2.1
71.01378	3.4
73.02938	0.7
79.01884	0.7
81.03403	0.8
83.01387	1.2
85.02933	6.1
87.00868	1.2
93.03447	1.9
95.01366	0.8
97.02968	0.9
97.34460	0.5
101.02412	1.8
107.01408	3.6
108.02187	4.9
109.02235	0.9
109.02956	12.5
111.00841	1.4
111.04491	0.8
113.02451	1.3
121.14893	0.5
123.00877	12.5
124.01662	8.8
125.02443	27.7
127.03986	1.4
133.02885	0.7
135.04521	2.0
139.00378	2.1
140.01128	1.3
141.01942	1.3
151.00363	9.3
151.04012	0.8
161.02466	1.0
168.00655	4.4
169.01422	42.8
170.01740	0.7
173.04556	1.8
179.03482	1.0
191.05602	54.6
192.05939	1.6
211.02321	1.0
221.54649	0.5
241.03316	0.6
253.03532	1.1
313.05664	13.3
314.06021	0.6
353.08743	6.1
423.09299	100.0
424.09607	8.8
572.66333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43825	0.3
59.01371	0.9
61.65495	0.3
67.01871	1.1
69.03456	0.4
71.01388	2.2
73.02924	0.6
76.64352	0.3
81.03463	0.6
85.02948	3.1
87.00867	0.6
93.03458	6.6
95.01379	0.8
97.02943	0.6
98.21851	0.7
101.02460	0.8
107.01395	2.1
108.02196	2.4
109.02312	0.6
109.02962	6.2
111.00890	1.0
111.04514	1.3
112.01971	0.3
113.02451	0.7
121.22350	0.3
123.00892	6.8
124.01669	4.1
125.02451	13.6
126.02766	0.6
127.00368	0.4
134.03734	0.7
135.04523	16.4
136.04843	0.5
136.98798	0.4
137.02452	1.5
139.00388	0.8
140.01149	1.2
141.01949	1.1
147.45621	0.3
151.00368	5.0
151.04088	0.5
155.03510	1.1
161.02470	1.3
161.04500	0.5
168.00616	2.0
169.01424	23.1
170.01720	0.4
173.04544	22.5
174.04919	0.7
176.55374	0.3
179.03485	13.5
191.05615	22.6
192.05977	0.8
193.51483	0.4
211.02400	0.6
241.03517	0.6
297.06091	0.5
313.05695	7.1
314.05878	0.5
353.08765	23.9
354.09116	1.7
423.09314	100.0
424.09644	8.8
551.10065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
69.03448	0.4
69.62621	0.6
69.63007	0.6
71.01380	1.7
79.01901	0.4
85.02952	2.4
87.00874	0.7
93.03456	0.9
95.01401	0.9
97.02974	0.3
98.21874	0.5
101.02433	0.9
107.01380	2.4
108.02168	1.6
109.02951	5.7
109.81429	0.4
111.00863	0.5
113.02407	1.4
123.00894	6.3
123.04578	0.4
124.00970	0.4
124.01678	4.3
125.02447	13.3
135.04530	0.6
139.00345	1.0
140.01120	0.7
141.01915	1.5
151.00374	7.0
152.00786	0.3
153.01971	0.6
161.02452	0.7
161.04536	0.3
166.44641	0.3
168.00667	2.2
169.01422	24.2
170.01735	0.7
170.38655	0.3
173.04555	0.5
179.03461	0.9
191.05608	33.5
192.05969	0.8
238.38062	0.3
253.03514	0.6
253.56902	0.3
259.76025	0.4
297.06119	0.4
313.05634	8.4
314.05975	0.6
353.08731	4.8
423.09320	100.0
424.09665	7.4
605.99646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.46318	0.5
67.01904	0.6
69.40005	2.2
71.01391	3.0
73.02950	0.8
77.52388	0.5
79.01884	0.8
83.01409	0.6
85.02949	4.5
87.00856	0.7
89.02434	1.0
93.03462	1.3
95.01385	1.1
96.96030	0.6
97.02972	0.7
98.22620	0.9
99.00867	0.7
101.02438	1.6
102.97728	0.4
107.01376	2.7
108.02199	3.0
109.02951	7.0
111.00861	0.7
111.04539	0.8
113.02452	1.4
123.00892	8.1
124.01663	4.1
125.02446	18.3
127.04044	0.6
129.05580	0.6
135.04543	0.7
136.98828	0.7
139.00380	1.5
140.01164	0.9
141.01947	1.5
151.00369	6.9
153.01997	0.6
161.02483	1.1
168.00648	2.2
169.01425	26.1
170.01779	0.8
173.04611	0.9
179.03484	0.5
179.85881	0.5
188.27193	0.4
190.46391	0.4
191.05605	38.5
192.06009	1.2
211.02501	0.8
225.61571	0.5
234.01654	0.5
241.03412	0.6
253.03537	0.9
271.04462	0.7
275.01968	0.5
300.99878	5.9
302.00208	0.6
309.11990	1.1
313.05624	7.4
343.06726	0.7
353.08704	5.9
356.95703	0.6
423.09314	100.0
424.09705	6.2
461.12497	0.6
479.08841	0.7
531.08679	0.5
549.06641	0.5
564.08484	0.9
649.06744	0.6
763.89160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
59.01378	2.0
68.99810	0.5
69.41541	0.5
69.41927	0.8
71.01382	7.8
73.02944	2.5
81.03452	0.3
83.01366	1.3
85.02954	4.1
87.00886	0.3
89.02442	0.5
92.02654	1.9
93.03460	18.4
94.03813	0.4
95.01379	1.4
96.99321	0.9
99.00878	0.9
101.02445	5.8
108.02179	18.7
109.02958	27.3
110.03291	0.6
113.02451	3.7
119.05078	0.3
121.02984	1.2
123.00898	0.5
123.04510	0.3
125.02425	0.6
135.04489	0.4
136.01668	1.9
137.02448	42.7
138.02780	1.3
146.66835	0.2
147.04517	1.0
151.04015	0.8
159.03023	0.3
161.04608	1.3
161.05815	0.2
163.04004	0.4
177.05504	0.3
179.03510	0.5
191.03517	0.6
196.58177	0.3
221.04546	0.9
281.06662	25.7
282.06937	1.3
289.82657	0.3
315.11734	0.3
315.94492	0.3
391.10339	100.0
392.10693	7.7
392.14798	0.2
457.10373	0.3
483.42343	0.3
499.57480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01708	0.9
60.16335	0.2
62.76027	0.2
71.01390	0.2
75.00861	1.3
85.00434	0.3
85.30827	0.2
87.52827	0.2
93.05825	0.2
98.21848	0.3
103.00374	5.0
103.01495	73.6
104.01824	0.4
104.85960	0.2
129.52319	0.2
150.18890	0.2
171.10211	0.2
209.11821	2.8
225.11378	0.2
227.12846	0.6
253.08876	0.2
292.22287	0.2
313.58224	0.2
464.46957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	13.5
66.14901	0.7
75.00880	1.2
83.09866	0.6
85.00434	3.8
91.48062	0.6
98.21803	1.4
103.00382	3.5
103.01494	70.3
113.82108	0.7
116.92873	1.9
128.10373	0.6
134.89500	0.8
154.01363	0.8
155.38620	0.7
158.90559	0.6
306.46506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	30.2
65.09463	6.4
70.95557	7.6
73.83836	6.5
78.95908	22.0
89.87936	6.2
152.99535	11.1
165.04407	6.0
190.07321	6.8
201.11316	45.1
209.11798	78.4
211.13449	16.8
223.13428	23.1
227.12852	19.0
235.08311	14.3
253.09290	22.9
277.21695	100.0
291.19510	7.4
293.21207	22.9
301.59909	6.7
402.47598	7.0
450.87210	7.0
465.22464	8.1
513.30560	10.0
521.21942	6.4
697.41541	14.4
777.41827	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95171	6.2
59.97213	5.5
61.98823	68.6
69.83420	9.5
69.83733	8.5
78.95899	37.0
98.21889	9.9
152.99585	15.1
209.11845	100.0
210.12265	7.5
211.13385	17.6
227.12860	28.5
235.08122	8.1
246.37683	7.0
253.09296	21.4
293.21100	8.5
295.22818	65.9
298.33594	6.3
309.20474	7.1
329.23169	9.1
445.20776	17.6
577.51770	7.0
777.42053	60.8
778.41797	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	778.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01372	5.7
60.65383	0.8
61.98818	3.3
64.81245	0.7
71.01379	2.7
73.02950	0.7
78.95889	1.2
84.23340	0.8
85.02972	0.7
89.02440	3.2
101.02434	2.8
113.02440	1.3
120.81584	0.7
125.30418	0.7
135.11508	0.8
161.04550	1.5
167.10753	2.4
177.12712	0.9
179.14429	3.2
195.13876	12.8
196.14668	1.4
201.11342	1.9
205.12303	7.4
205.27449	0.7
209.11833	4.3
210.12111	1.5
211.13403	1.1
223.13388	100.0
224.13757	4.2
227.12848	1.6
235.08273	6.7
253.09280	19.5
254.09662	1.3
255.16685	0.9
275.20184	4.2
277.21649	5.7
278.22000	2.5
293.21228	85.4
294.21576	5.8
441.21500	1.2
459.22327	18.1
460.22943	1.2
464.22693	1.2
467.44565	0.9
492.22137	1.0
499.34445	1.1
529.29877	4.4
560.97736	0.8
666.35950	1.1
676.03253	0.8
686.19342	0.8
724.43036	1.4
735.43256	3.9
778.43512	2.0
779.42096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44028	2.6
69.44426	1.9
71.01373	1.9
73.68978	0.8
85.02971	1.1
92.76012	0.8
93.03457	3.3
95.87902	0.8
98.22654	1.0
101.02410	1.6
102.96914	0.9
108.02147	2.2
109.02962	5.1
113.02412	1.9
125.02376	1.2
137.02458	7.4
138.02780	2.2
139.84044	0.8
169.01392	1.2
181.60992	1.0
185.02441	2.9
192.15541	1.0
200.01088	0.9
201.01808	1.0
229.01384	2.6
231.41104	0.9
245.00923	1.5
257.00998	1.7
270.98810	8.9
281.06656	5.4
282.06979	2.2
283.99561	3.1
298.98276	12.6
299.99078	56.4
300.99854	70.5
302.00189	3.3
302.24936	0.8
314.00693	11.0
315.01450	61.3
316.01810	3.2
391.10339	9.2
392.10583	8.7
393.10907	2.7
477.06717	100.0
478.06985	6.1
483.43378	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	779.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.4
61.36067	2.3
71.01366	6.3
106.06651	7.2
107.01416	2.9
108.04530	2.5
108.08188	27.0
115.00365	6.8
122.06126	15.0
124.01681	3.4
124.07688	14.8
125.02438	10.7
132.04547	63.3
133.01448	12.7
133.05357	45.6
134.06120	24.2
149.04866	5.8
150.05620	30.6
162.05606	5.3
165.04285	13.8
168.00607	4.8
169.01434	7.5
176.07091	3.0
193.01320	3.2
206.02274	2.8
213.06624	3.8
214.12425	6.5
214.87440	2.6
215.11903	10.7
227.08180	4.3
229.09882	5.4
229.13394	4.3
240.10312	2.8
241.09813	14.0
253.13550	4.6
255.11337	7.8
257.12946	95.9
269.13000	2.3
271.14487	26.4
283.10876	40.7
300.99951	4.6
301.11905	29.1
327.09692	4.6
557.24005	34.2
581.23871	8.5
645.10870	20.4
761.30365	53.6
762.30518	6.6
779.17108	4.8
779.31421	100.0
780.32239	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	780.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46477	0.7
59.01372	3.6
61.98827	3.5
70.41719	1.0
71.01389	1.1
75.00869	1.9
76.95004	0.6
80.02688	0.9
81.03448	0.7
83.05015	3.0
85.00440	1.1
85.26514	0.7
87.00874	0.9
88.98782	1.2
89.02476	0.9
101.02426	1.6
103.01485	1.0
105.72748	0.7
113.02438	0.8
116.92838	0.9
161.04665	0.8
163.11290	3.0
165.12842	2.0
171.10257	1.0
178.13124	0.7
181.12396	0.7
183.23941	0.8
191.10902	0.8
209.11830	100.0
210.12154	1.9
227.12897	15.2
235.08235	1.6
243.18062	0.8
253.09264	5.2
340.64697	0.7
404.04694	0.7
445.20822	5.2
587.27509	0.8
637.32190	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	781.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75221	0.1
70.80396	0.2
79.51515	0.1
117.03436	0.2
119.05043	0.1
125.02448	0.2
129.03479	0.4
133.02937	0.2
145.02960	1.1
147.04471	0.2
157.02936	0.7
163.03995	0.4
169.01343	0.2
170.95973	0.1
173.02428	1.3
183.01009	0.1
185.02441	2.7
189.01968	0.2
191.03554	0.2
192.00659	0.8
193.01393	1.0
199.00357	0.2
200.01080	0.1
201.01967	1.7
207.02948	0.2
211.02448	0.2
213.01953	0.3
217.01413	0.4
226.99844	0.6
228.00635	0.4
229.01401	3.5
230.01733	0.2
235.02580	0.1
240.00621	0.1
244.00212	0.2
245.00873	1.7
254.99295	0.3
256.00522	0.1
257.00894	1.6
273.00385	0.3
283.99646	2.5
285.00131	0.3
299.99100	2.8
300.99893	100.0
302.00238	5.9
303.00504	0.4
315.01434	0.6
316.01825	0.4
317.02060	0.1
367.00500	0.1
410.47119	0.1
477.06613	0.3
478.06964	0.5
479.08023	2.0
480.08557	0.2
505.90887	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	781.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98830	0.9
65.00335	0.3
76.48542	0.2
87.32864	0.3
90.14050	0.3
93.03484	0.3
98.21808	0.2
99.92649	0.3
101.56222	0.3
101.78449	0.3
104.35726	0.2
106.86944	0.2
107.01396	0.7
116.92863	1.8
117.03500	0.4
123.00891	1.1
123.93935	0.3
124.01659	0.8
125.02448	4.2
129.03464	0.5
133.02948	0.4
137.02556	0.3
145.02974	1.7
147.04533	1.0
157.02945	1.0
159.04539	0.7
161.02437	1.0
162.03197	0.4
163.04045	0.8
166.99850	0.4
169.01422	3.5
173.02386	2.2
175.04007	0.9
177.01981	0.5
185.02419	3.2
189.01874	1.4
190.02725	0.6
191.03549	0.9
191.05698	0.4
192.00684	1.8
193.01321	0.9
201.01912	3.5
203.03452	1.7
205.01505	0.6
206.02168	0.6
207.02975	0.6
213.01903	0.7
217.01457	1.3
218.02148	0.4
219.03035	0.7
226.99872	0.8
228.00623	0.7
229.01396	5.9
230.01913	0.4
231.03032	1.3
232.03709	0.4
234.01695	1.0
244.00117	0.3
245.00873	2.9
247.02448	1.0
248.03233	0.3
249.04005	0.9
254.99551	0.3
257.00867	3.8
258.01685	1.3
260.03223	0.4
273.00418	1.8
274.01224	0.6
275.01984	14.9
276.02524	2.0
283.99628	2.6
299.99075	2.8
300.99884	100.0
302.00244	5.0
320.64984	0.3
391.67847	0.3
412.97412	0.3
475.49219	0.3
479.08499	1.4
567.07654	0.6
781.08887	14.3
782.09436	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01115	0.3
59.01376	4.7
59.02739	0.3
66.51544	0.3
67.01870	0.5
71.01378	2.0
73.02959	0.3
74.08360	0.3
79.01896	0.4
83.01357	0.7
85.02948	2.7
87.00862	0.6
89.02440	1.1
93.03435	1.5
95.01378	0.8
96.95997	0.3
97.02931	0.3
101.02424	0.8
107.01387	3.0
107.76478	0.3
111.00891	1.1
113.02444	0.9
119.04995	0.8
121.53293	0.3
123.00881	3.2
124.01649	7.6
125.02447	21.5
126.02806	0.4
127.00328	0.6
136.98804	0.7
137.02435	0.3
139.00392	1.5
139.03979	0.6
140.01132	2.0
141.01991	0.6
145.02994	0.7
149.02512	0.4
151.00337	1.7
155.03464	0.4
163.04033	0.6
165.01895	0.5
167.03490	1.7
168.00639	12.8
169.01422	33.8
170.01784	0.9
173.04578	1.8
173.05847	0.3
183.02995	0.5
191.02005	3.0
191.03470	0.3
191.03792	0.4
191.05600	5.7
193.01471	0.4
203.03716	0.3
211.02473	57.1
212.02835	1.8
241.03517	2.0
271.04587	100.0
272.04877	4.1
281.00299	0.3
295.04333	0.3
300.99863	1.5
331.06693	33.7
332.07153	1.5
337.09244	1.7
443.11932	58.4
444.12305	3.4
501.25253	0.3
804.67328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82766	0.4
59.01407	0.5
65.64023	0.4
69.61770	1.9
74.65226	0.4
121.02859	0.5
125.02464	0.6
126.15139	0.4
127.46789	0.4
135.00841	0.7
143.50146	0.7
149.02409	0.6
161.02463	1.4
162.03262	0.5
162.89560	0.5
163.00349	2.9
163.99895	0.5
164.01123	2.5
164.99275	0.4
165.01953	0.5
165.28214	0.5
166.02644	0.5
177.01939	1.4
178.02722	1.0
189.01956	1.1
190.02708	3.2
190.99838	8.7
191.05649	0.9
192.00642	100.0
193.01350	12.2
194.02184	3.4
205.01376	4.4
205.05141	0.6
206.02142	1.7
207.02980	70.9
208.03326	2.7
222.01686	1.5
233.00931	2.3
234.01671	12.8
235.02431	0.9
237.03902	2.3
247.02402	0.5
249.04071	12.6
300.99951	1.2
312.04767	3.7
327.07199	34.5
328.07440	2.4
337.05569	0.6
349.95270	0.5
354.06067	2.5
369.08237	45.6
370.08609	3.2
391.03183	0.8
411.09268	4.8
424.01389	0.5
458.98825	0.6
489.12488	15.2
490.12506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99326	1.1
59.01363	0.8
61.98835	0.7
71.01356	0.7
82.95423	3.6
84.00912	1.4
84.95121	11.3
85.00435	100.0
86.00789	0.9
98.21844	0.8
167.26634	0.5
171.10297	1.3
183.44054	0.4
197.11928	1.0
199.13438	0.5
209.11844	1.7
211.13397	3.8
212.13747	1.0
225.11510	0.5
227.12996	0.9
253.09349	1.2
277.21664	2.6
293.21182	1.5
605.31720	0.5
770.41650	0.5
781.43744	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	781.4411
Annotation	lugdunin
Peak:m/z	Relative Intensity
63.96252	3.5
71.01373	10.3
78.98584	8.1
79.95751	12.9
80.96516	100.0
85.02937	2.4
85.19775	2.5
87.00864	2.9
94.98070	20.1
97.02929	3.1
98.21849	3.7
101.02423	2.5
106.98048	4.7
122.97552	3.0
123.67471	2.1
125.02433	5.5
134.97604	10.8
136.99065	2.4
139.37527	2.3
148.99141	7.8
152.98601	9.1
164.98650	17.6
206.99547	4.3
225.00681	22.5
255.23235	3.5
259.60123	2.5
266.59335	2.3
339.86673	2.6
394.92551	2.4
448.28992	2.1
465.15219	2.5
476.41876	2.7
583.49316	2.4
594.35498	2.4
781.44104	85.0
782.44379	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	781.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.5
67.81280	0.3
72.78345	0.2
75.00853	1.5
90.26785	0.3
95.87975	0.2
103.00370	6.3
103.01492	87.6
104.01842	0.3
111.01934	0.3
125.02451	0.9
151.03992	0.4
169.01427	0.6
211.48134	0.3
300.99692	0.7
329.50351	0.2
356.92325	0.3
410.65445	0.3
453.50415	0.3
559.31128	0.3
627.50079	0.3
677.49554	1.6
678.49445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48352	0.9
57.50815	0.9
59.01375	3.1
61.98803	1.7
69.94819	2.4
71.01374	2.2
80.02704	1.1
83.01392	0.8
83.05029	3.6
84.80754	0.9
85.65097	0.8
89.02431	1.4
89.18105	0.8
98.22650	1.6
101.02426	2.6
113.02394	1.2
116.92841	2.1
161.04504	1.6
163.11275	3.9
165.12822	1.8
191.31764	1.0
195.13918	2.9
196.17780	0.9
209.11823	100.0
210.12071	4.8
211.13301	3.0
223.13484	2.4
227.12868	11.4
235.08151	3.8
253.09308	9.9
275.20169	2.8
291.20071	1.1
293.21219	43.0
294.21561	2.8
309.20447	1.3
445.20926	3.2
761.94525	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	782.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
61.98815	1.6
64.68617	1.7
69.58948	6.8
71.01378	4.8
71.31982	1.5
73.36440	2.2
83.05047	4.1
89.02447	4.2
101.02426	4.6
111.43262	1.8
113.02479	1.9
113.99369	1.5
116.92872	13.0
154.50294	1.6
161.04662	1.9
163.11331	3.0
165.12881	2.1
180.65294	1.6
185.24196	1.8
195.13901	8.5
196.14630	1.8
209.11824	94.3
210.12131	4.4
211.13403	24.6
212.13933	2.6
215.47321	1.7
223.13394	5.0
227.12851	13.6
235.08226	3.2
253.09280	20.2
275.20074	7.7
291.19623	7.5
293.21219	100.0
294.21570	5.6
309.20758	3.8
529.29883	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	782.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.4
61.98833	1.4
70.44263	1.1
71.01383	3.1
80.84338	0.8
83.05047	1.2
89.02450	2.3
96.95964	1.1
97.89748	0.9
101.02451	2.9
111.08167	4.5
113.02449	1.0
122.41022	1.1
161.04527	1.5
165.12891	1.4
169.12349	2.3
183.13911	6.0
193.12344	1.6
194.12836	0.9
197.11836	22.6
199.13358	2.2
209.11769	5.2
211.13391	100.0
212.13699	2.6
227.12845	2.9
229.62123	0.9
235.08138	5.5
253.09229	13.1
260.04565	0.9
291.19641	16.0
293.21210	6.4
303.56564	0.9
309.20691	43.5
447.22223	7.6
503.33960	1.6
527.28326	1.4
535.03064	1.1
545.29333	1.8
553.81732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.7
66.68349	1.0
70.78425	1.2
71.01379	3.6
72.76337	1.0
85.00434	4.2
85.02962	1.7
89.02438	2.0
95.79705	1.0
96.96019	1.4
97.02908	1.7
98.22560	1.1
101.02423	2.9
111.08125	4.3
111.99280	1.1
113.02448	3.2
127.07671	1.2
161.04550	1.5
162.89069	1.2
163.11420	1.0
165.12967	1.5
169.12355	1.6
183.13905	6.0
193.12395	1.6
197.11800	19.4
198.12186	1.4
199.13368	3.3
209.11815	19.0
210.43671	0.9
211.13385	100.0
212.13852	5.1
227.12900	4.5
235.08220	7.5
235.17020	1.3
253.09317	13.8
269.04495	1.1
291.19672	12.4
293.21225	12.3
294.21738	1.2
309.20703	38.6
310.20825	2.1
408.59232	1.0
447.22305	8.2
545.29626	1.9
556.06189	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	782.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.9
59.97529	0.8
69.70656	2.0
71.01387	3.8
78.95885	1.8
80.96508	3.8
82.81062	1.0
89.02484	1.3
101.02414	2.0
113.02479	1.0
161.04573	1.0
179.05682	1.1
183.13844	5.2
193.12274	1.6
209.11853	1.6
211.13399	100.0
212.13680	3.3
235.08191	1.8
253.09207	4.7
277.21722	52.5
278.22018	3.1
429.21350	1.3
447.22479	9.7
779.54114	1.0
782.41223	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	783.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	4.6
69.03454	4.4
70.85770	2.8
76.00508	2.1
79.01859	2.4
81.03437	4.0
95.01387	24.1
97.02941	4.3
101.02406	3.1
105.13987	2.3
107.01382	8.8
111.00893	2.9
123.00869	43.5
124.01661	20.9
125.02448	97.5
126.02741	2.7
136.01656	2.8
137.02463	3.1
138.72284	2.2
139.00392	3.2
139.03978	2.9
140.01146	3.5
141.01913	2.3
151.03961	2.5
159.04520	3.4
161.02498	3.3
162.03273	2.9
164.01126	2.6
165.01907	5.1
166.99841	14.2
168.00638	13.5
169.01424	93.1
175.03992	4.2
177.01979	2.7
183.03038	4.6
187.04019	6.8
189.01927	5.4
190.02654	3.0
191.03481	2.8
192.00618	16.9
193.01413	15.3
203.03464	4.2
204.04318	5.0
205.01378	3.5
206.02139	5.8
207.03011	16.8
211.02428	10.9
215.03481	4.0
219.02985	4.5
231.02942	12.6
232.03741	11.7
233.04536	5.4
234.01630	7.5
235.02396	10.3
246.01704	6.2
247.02417	5.1
249.04025	5.4
259.02417	8.8
260.03268	37.5
261.03973	12.3
275.05569	6.7
276.02744	30.9
277.03323	5.8
291.04968	11.5
299.99191	2.8
302.32028	2.1
428.03754	4.7
443.06299	13.7
445.07809	3.8
479.08228	4.6
612.89752	2.3
613.08331	14.8
631.09375	39.0
632.09845	4.0
783.10553	100.0
784.10699	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	783.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
60.99289	1.5
67.01888	4.1
69.03444	1.0
69.36421	0.2
69.41273	1.2
70.50496	0.3
71.01390	1.8
71.64975	0.2
71.79721	0.2
81.03445	0.8
83.05018	0.7
85.02943	4.3
85.33155	0.3
87.00874	6.0
89.03924	0.3
93.03457	29.5
94.03797	0.4
98.21896	0.5
99.00880	0.3
99.04528	0.6
102.52361	0.3
109.02911	0.5
111.04521	4.1
113.02467	0.4
115.03985	0.4
117.03457	0.8
127.03992	1.4
129.01935	0.9
134.03743	8.9
137.02419	0.7
143.03485	0.3
149.06033	0.6
155.03496	1.2
160.01639	0.7
169.03972	0.3
173.04544	18.1
175.03999	0.6
191.05608	100.0
192.05946	2.1
193.05035	7.1
193.06731	0.5
203.29449	0.2
216.50893	0.2
246.76631	0.2
274.59164	0.3
275.01938	0.4
300.96957	0.2
300.99777	1.7
334.98251	0.3
367.10303	40.9
368.10745	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	783.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
61.98810	2.8
71.01380	4.1
83.23186	0.9
85.00426	1.6
89.02446	2.3
89.67990	0.9
101.02422	2.5
113.02493	1.9
154.38104	0.9
171.10236	1.9
180.94289	0.9
183.13931	5.9
190.84053	1.0
193.12288	1.5
195.13840	5.1
199.69870	1.0
201.11317	2.6
209.11786	5.7
211.13399	100.0
212.13702	3.5
223.13304	2.5
227.12906	1.0
235.08119	4.6
253.09265	15.4
254.09695	1.5
256.13098	1.4
275.20169	4.6
275.54324	0.9
277.10571	1.0
277.21716	7.4
278.22098	1.7
293.21237	60.0
294.21527	4.4
300.99747	1.1
364.15887	1.3
447.22516	9.2
487.34433	2.2
511.29391	1.3
529.30286	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	784.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98829	100.0
78.91880	0.2
79.57784	0.1
88.98804	0.1
96.96043	0.2
96.97045	0.1
98.22675	0.3
98.63509	0.1
100.06054	0.1
119.29613	0.1
119.74306	0.1
209.11804	0.2
300.99762	0.1
337.10199	0.1
424.82446	0.1
754.18964	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	784.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98827	100.0
78.91876	0.2
95.25087	0.2
96.96025	0.3
126.90444	1.4
127.00163	0.5
148.56302	0.2
171.10219	0.2
183.04221	0.2
209.11818	1.2
211.13469	0.4
212.13678	0.4
321.20648	0.5
331.03879	0.2
353.54654	0.3
470.45724	0.2
560.79297	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	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17722	0.1
58.66870	0.2
59.01373	0.3
61.98826	100.0
69.91040	0.5
71.01422	0.2
76.39249	0.1
80.96549	0.2
81.03921	0.2
84.24464	0.2
107.57671	0.2
116.92871	0.2
209.11871	0.6
211.13463	0.2
232.54391	0.2
277.21646	1.2
278.22064	0.4
560.16034	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	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98828	100.0
68.64077	0.2
80.96521	0.6
116.92861	0.3
209.11792	1.0
210.12279	0.3
277.21768	0.5
278.22073	0.4
489.26483	0.2
494.29218	0.2
551.78577	0.2
573.46497	0.3
757.37958	0.2
784.44116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49770	0.4
85.02944	0.4
91.61747	0.4
95.01420	0.7
104.02247	0.4
107.01408	1.2
116.78019	0.4
119.05025	0.8
123.00893	1.6
124.01683	1.1
125.01607	0.8
125.02446	7.9
129.03465	0.7
130.77925	0.3
137.02513	0.6
138.05650	0.8
141.03481	0.4
145.02977	1.7
147.04546	1.0
147.18654	0.4
149.02435	0.5
151.00365	0.4
157.02931	1.2
159.04515	0.7
161.02478	1.4
163.04028	1.3
164.45764	0.4
168.00626	0.6
169.01428	7.6
173.02428	2.8
174.03238	0.5
175.03981	1.4
177.01915	0.6
185.02409	4.1
189.01955	1.1
190.02766	1.2
191.03549	1.4
191.05629	3.7
192.00708	0.6
192.06035	0.5
193.01431	1.3
201.01913	3.9
202.02530	0.6
203.03479	2.4
205.01402	0.4
211.02470	2.1
213.01907	0.8
217.01440	1.3
219.03009	1.4
226.99875	0.4
229.01408	9.1
229.28949	0.5
230.01994	0.9
231.02972	1.6
235.28749	0.4
245.00883	3.6
246.01636	0.5
247.02444	1.5
249.03993	0.9
253.56963	0.4
257.00900	7.5
258.01544	2.3
271.04681	1.0
273.00381	2.9
274.01175	2.9
275.01987	22.8
276.02332	1.3
283.99548	3.1
299.99036	4.3
300.99884	100.0
302.00247	4.6
313.05704	1.6
337.09189	0.6
338.09152	0.4
357.75439	0.5
463.04968	0.6
479.08334	3.5
483.07785	1.3
615.06232	1.2
633.07391	2.9
634.06854	0.5
784.49542	0.4
785.08374	20.6
786.08618	2.7
799.65222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0838
Annotation	Tercatain
Peak:m/z	Relative Intensity
59.01370	0.9
59.21278	0.6
62.91000	0.6
69.41128	2.7
81.71191	0.6
85.02938	0.7
93.03439	1.0
95.01389	2.1
97.02950	0.6
98.22655	0.9
101.02465	0.6
107.01407	2.2
109.02975	0.7
111.37780	0.6
114.93636	0.6
117.03480	0.9
119.05047	0.7
123.00878	5.2
124.01667	2.1
125.02453	15.1
133.02934	0.8
145.02921	1.8
147.04506	1.8
148.54738	0.6
149.02480	1.1
151.00395	1.0
157.02975	1.4
159.04510	1.8
163.04008	1.7
164.01041	0.7
165.01955	0.9
166.99733	0.8
169.01414	13.0
173.02441	3.2
175.04008	3.4
177.01958	1.8
185.02425	3.8
187.03992	1.1
189.01863	1.4
190.02721	1.1
191.03528	2.7
191.05638	2.3
201.01950	5.1
202.02750	0.7
203.03477	7.9
207.07835	0.7
211.02519	1.8
213.01938	1.6
217.01294	1.5
219.02956	2.2
221.04750	0.7
229.01390	10.4
230.02029	1.1
231.02985	10.1
236.82901	0.7
245.00938	4.4
247.02449	2.6
248.03174	1.5
249.04019	17.9
250.04471	0.8
254.99442	0.7
257.00897	8.9
258.01620	2.3
273.00323	2.9
274.01089	1.6
275.01962	35.7
276.02341	1.9
283.99594	2.8
291.01477	1.5
299.99121	2.8
300.99887	100.0
302.00201	4.2
313.05682	1.8
331.06320	0.6
341.12988	0.7
419.05911	1.1
446.32471	0.8
465.06824	2.4
483.07617	2.1
513.75940	0.8
589.07178	0.7
615.06683	0.9
633.06818	1.3
726.71936	0.9
785.08398	46.6
786.08667	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	785.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75063	1.3
71.01395	0.8
85.02966	1.5
93.90223	0.4
95.01371	1.9
97.02947	0.5
98.22659	0.5
107.01379	2.3
111.00898	0.5
113.02461	1.4
119.05070	0.5
123.00890	4.0
124.01667	2.0
125.02441	14.6
129.03441	0.4
131.05052	0.5
133.02925	0.8
137.02496	0.4
140.01151	0.4
145.02971	1.8
147.04544	1.3
147.16641	0.3
148.42386	0.4
157.02959	1.2
158.03688	0.5
159.04494	1.7
161.02533	1.2
163.04004	1.0
165.01898	0.4
166.99803	0.4
169.01431	11.9
170.01756	0.5
173.02463	2.0
175.03995	2.8
177.02008	1.2
185.02434	3.1
186.64555	0.4
187.03929	0.6
189.01953	1.5
190.02774	0.7
191.01909	0.4
191.03523	1.9
191.05573	1.0
191.71423	0.3
193.01460	1.4
201.01906	4.2
203.03494	7.5
205.01544	0.5
211.02505	0.9
213.02002	1.3
214.02705	0.6
217.01407	1.2
219.02989	1.3
221.04504	0.4
228.00734	0.4
229.01399	9.7
230.01971	0.7
231.02979	7.9
245.00911	2.4
247.02469	1.2
249.04042	20.0
250.04454	0.7
254.99364	0.5
257.00900	8.1
257.03696	0.4
258.01587	2.9
271.04587	0.5
271.99423	0.4
273.00439	1.6
274.01114	1.3
275.01965	31.5
276.02243	1.6
283.99655	2.5
293.03015	0.6
299.99152	2.9
300.99887	100.0
302.00284	5.1
313.05710	1.9
331.06769	0.6
401.02896	0.4
419.06137	2.2
463.05209	0.9
465.06854	0.6
483.07791	6.8
615.06067	2.1
633.07410	2.4
785.08356	24.1
786.08759	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	785.084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	0.2
66.64048	0.2
67.01917	0.4
69.03471	0.2
69.30539	0.9
71.01380	0.3
85.02947	0.5
86.14835	0.2
89.03999	0.2
93.03461	1.8
94.03801	0.3
95.01388	0.5
107.01398	1.0
111.00880	0.3
111.04527	0.2
119.05175	0.2
123.00875	1.6
124.01685	0.9
125.02458	2.9
134.03751	0.5
135.04039	0.1
136.98851	0.2
139.00453	0.3
140.01105	0.2
145.02898	1.0
147.04543	0.6
151.00366	0.4
157.02974	0.7
159.04543	0.4
161.02515	0.3
163.00319	0.2
163.04082	0.4
165.01982	0.3
166.99889	0.3
168.00597	0.3
169.01405	3.0
173.02397	1.2
173.04559	0.6
175.04007	0.3
177.01965	0.2
179.03522	0.2
185.02435	2.7
187.04068	0.2
189.01935	0.3
190.02669	0.3
191.03627	0.4
191.05600	5.2
192.05887	1.1
193.01445	0.4
200.01099	0.3
201.01894	2.0
203.03416	1.0
213.01895	0.4
217.01457	0.6
219.02983	0.3
226.99870	0.4
228.00652	0.4
229.01413	4.1
230.02066	0.3
231.02971	0.6
245.00958	1.4
246.01581	0.2
247.02415	0.3
249.04045	0.6
254.99239	0.2
257.00894	3.5
258.01508	0.3
273.00406	0.5
274.01236	0.4
274.99005	0.3
275.01974	5.4
283.99622	2.1
299.99124	2.5
300.99881	100.0
302.00195	3.9
313.05630	0.9
337.70776	0.2
367.10297	1.1
368.10504	0.9
369.10760	0.2
431.03656	0.2
447.05753	0.7
463.05133	1.3
615.06250	4.5
616.07068	0.4
785.08466	6.6
786.08807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90782	0.8
59.01360	1.7
61.33758	0.7
61.98814	1.7
74.37237	0.8
98.22637	2.2
103.27117	0.8
120.02169	4.9
120.02974	0.7
121.02951	100.0
122.03310	3.1
126.66814	0.7
165.01920	2.1
169.12389	0.8
181.06590	2.0
191.03456	2.1
197.11809	8.4
209.04539	69.2
209.11723	3.7
210.04880	2.7
211.13400	1.4
223.13419	1.1
225.05588	2.3
227.12897	1.1
253.09341	1.5
293.21207	2.1
309.20721	2.6
313.07248	4.0
357.06305	1.8
401.08783	9.8
402.08957	1.2
532.13123	0.8
549.09973	1.0
575.11292	0.9
785.17651	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45879	0.2
61.98827	100.0
76.19204	0.2
77.27024	0.2
78.95927	0.3
83.97495	0.2
96.12599	0.2
98.21891	0.8
130.01701	0.2
209.11850	0.5
211.13533	0.3
212.13829	0.3
214.85901	0.2
277.21921	1.0
278.22177	0.3
291.20062	0.2
306.15231	0.3
374.02469	0.2
534.63812	0.3
721.60974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29699	0.1
59.01368	0.2
59.58799	0.1
61.98827	100.0
71.50964	0.1
98.20282	0.2
109.27853	0.1
111.37815	0.1
209.11823	0.8
211.13316	0.3
212.04068	0.1
212.13705	0.1
249.18622	0.3
277.21744	0.3
484.08151	0.1
490.93979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.30432	0.1
78.95943	0.1
80.94473	0.1
80.96539	0.3
98.21858	0.2
170.16896	0.1
209.11803	0.3
210.12158	0.1
277.21817	0.2
278.22015	0.1
279.23196	0.1
367.72504	0.1
487.68985	0.1
580.34302	0.1
787.39825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.1
67.36976	0.1
71.04224	0.1
74.64484	0.1
74.85562	0.1
75.11074	0.1
100.22795	0.1
114.58578	0.1
161.43559	0.1
200.25294	0.1
209.11882	0.2
231.83307	0.1
239.59225	0.1
270.74741	0.1
277.21860	0.2
278.22079	0.2
301.20465	0.1
323.73068	0.1
495.86923	0.1
692.52521	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	787.0998
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
56.47956	0.6
65.00301	0.6
67.01895	1.3
69.03444	1.6
71.01384	2.1
71.72291	0.5
79.01913	1.7
79.18489	0.5
81.03426	2.5
82.00640	0.6
83.01372	0.8
85.02953	1.5
89.93554	0.6
95.01389	4.5
96.07157	0.5
97.02949	2.0
98.21838	1.1
101.02424	0.7
107.01387	9.0
109.02943	0.6
111.00875	1.3
113.02477	1.5
119.04935	0.5
123.00889	15.5
124.00837	0.8
124.01678	11.4
125.02442	76.4
126.02800	2.4
136.98828	0.9
137.02426	1.1
139.00356	2.3
140.01170	1.6
141.01895	1.8
143.03452	0.7
151.00359	3.1
153.01958	1.5
154.99840	0.5
159.04491	0.6
161.02437	1.2
163.04105	0.8
165.01898	0.7
166.99844	4.0
167.03517	0.5
168.00621	5.6
169.01421	100.0
170.01738	3.2
175.03889	0.9
177.01854	1.3
179.03465	1.0
181.01442	0.8
191.03511	2.0
193.01369	4.2
203.03470	0.7
205.01436	1.3
205.04993	0.6
206.02008	0.7
207.02921	1.2
211.02469	2.9
223.02460	0.9
233.04526	0.6
235.02420	1.3
237.04175	0.6
277.03510	1.3
295.04660	4.2
297.06186	4.9
300.99945	1.0
313.05646	8.7
408.56705	0.6
447.05618	1.5
448.06735	1.0
449.07269	4.7
450.07266	0.6
465.06677	8.1
537.69141	0.5
617.07794	90.6
618.08191	11.2
631.18567	0.6
635.08612	1.3
769.92761	0.7
787.10602	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	787.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94044	0.5
62.35215	0.5
69.03443	1.6
69.25317	1.1
69.25716	2.5
71.01375	1.1
79.01904	1.1
81.03453	1.0
83.01373	0.7
95.01385	2.3
95.38202	0.6
97.02978	1.6
97.68530	0.5
107.01392	5.0
111.00902	1.1
114.15450	0.6
121.02974	0.7
123.00894	7.8
123.04433	0.6
124.01688	6.2
125.02449	49.4
126.02781	1.7
133.02985	0.7
139.00385	1.7
140.01147	0.9
141.01932	1.0
145.02934	0.8
149.02440	1.0
151.00374	2.1
151.04013	0.7
161.02446	2.4
162.03215	1.4
163.04016	0.7
164.01183	1.0
165.01910	0.6
166.02676	1.1
166.99876	2.1
167.03448	0.6
168.00610	3.5
168.03409	0.7
169.01424	68.7
170.01772	2.5
175.03993	0.5
178.02696	0.9
179.03421	1.3
190.02725	4.6
191.03566	0.7
192.00659	15.1
193.01408	7.7
194.02147	2.7
205.01440	2.5
206.02115	3.1
207.02988	6.5
211.02472	2.1
217.01279	0.8
221.00981	1.1
222.01643	1.2
234.01721	11.5
234.03970	1.2
235.02374	1.8
237.04013	0.9
245.00993	1.2
246.01688	1.3
249.04044	7.9
271.04660	1.3
277.03549	0.6
294.03708	1.7
295.04553	1.5
297.06097	1.5
300.99939	1.4
302.00354	0.9
309.06094	2.8
312.04880	3.5
313.05640	3.3
327.07162	2.7
449.07162	1.4
465.06866	4.0
479.08313	100.0
480.08560	8.8
578.94379	0.6
617.07758	31.4
618.08069	5.4
635.08197	0.8
787.09930	2.3
788.10333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.1
61.98828	19.7
71.01373	5.6
71.05022	1.0
76.60193	1.0
78.95934	0.9
80.91697	1.1
81.03463	1.6
83.05025	3.8
84.02186	1.2
87.00870	1.5
89.02436	3.2
95.05046	1.0
96.96022	1.1
98.10146	0.9
98.21864	2.4
101.02454	4.5
110.43822	1.1
111.08159	5.2
113.02467	2.3
116.92854	1.1
125.09715	1.5
142.22723	0.9
143.36180	0.9
161.04594	1.4
163.11305	4.2
165.12851	3.8
169.12341	2.1
171.10271	2.6
181.12331	1.3
188.80705	1.0
191.10826	1.8
197.11839	22.2
199.13390	1.5
209.11818	100.0
210.12184	4.2
211.13358	5.3
215.12886	1.0
225.11256	1.7
227.12848	14.7
228.13152	1.1
235.08206	3.5
247.20483	1.1
253.09308	12.3
258.45892	1.0
291.19678	13.2
297.37323	1.1
309.20706	39.7
310.21072	1.7
328.33267	1.0
437.74353	1.2
445.20731	2.5
545.30109	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	789.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	88.0
61.98826	81.0
70.94885	7.4
71.01395	16.5
76.67151	6.4
77.65902	6.4
78.95924	14.3
83.05022	7.5
88.98808	8.9
89.02425	7.3
96.95997	23.8
103.01482	50.9
114.93406	18.2
155.08833	7.2
163.11322	8.1
171.10228	14.6
197.11855	10.8
207.10234	25.6
209.11821	100.0
211.13356	8.8
225.11230	10.1
227.12885	26.1
234.68591	5.9
235.08316	7.0
253.09248	20.2
289.17996	31.5
291.19730	13.0
305.44308	6.5
307.19122	48.2
309.20749	31.2
311.22174	11.1
445.03500	7.4
461.20239	6.8
525.06531	6.7
753.40070	22.8
754.39252	8.9
789.38306	64.9
790.37915	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	789.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.0
61.98835	100.0
70.45094	13.5
70.45426	14.4
71.01400	16.9
78.95929	19.4
82.26092	10.2
96.96011	15.2
114.93407	25.2
120.48089	10.2
163.11348	9.8
197.11816	13.6
207.10266	34.6
209.11784	59.8
211.13374	13.0
225.11296	24.8
227.12927	20.9
229.68810	9.4
253.09392	12.7
284.92020	9.6
291.19736	10.4
307.19366	13.1
309.20609	60.3
753.40991	43.2
789.38007	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04268	4.5
58.15006	5.0
59.01360	5.6
61.98826	100.0
71.01379	9.2
74.75528	4.9
89.33554	4.5
117.24120	4.4
136.65388	5.2
165.12941	5.7
209.11813	94.4
211.13382	10.7
225.11220	5.1
227.12865	27.9
253.09222	14.3
265.85358	5.2
289.18073	13.2
291.19553	7.6
307.19366	22.8
445.20880	6.6
753.40045	7.8
789.38586	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	789.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.9
59.01378	12.6
60.84848	1.2
61.98824	10.8
69.03457	2.7
71.01379	46.1
72.99327	1.3
73.02946	5.2
75.02255	1.4
77.91447	1.2
80.02688	1.9
80.20672	1.3
80.91693	1.6
81.03448	2.4
82.95425	4.2
83.05037	9.7
83.05466	1.8
84.02129	1.3
84.95110	1.4
85.00445	3.5
85.02947	4.3
87.00890	3.3
89.02438	4.2
95.05000	2.0
96.96014	15.0
97.02930	2.7
97.06571	3.1
99.00903	1.6
101.02454	8.2
109.06599	5.4
112.98569	2.0
113.02448	5.6
116.92850	3.0
125.02493	1.7
125.09687	3.6
125.35636	1.3
127.11265	1.4
129.39339	1.3
134.73253	1.3
147.21451	1.5
155.10707	2.5
161.04489	2.0
163.11284	9.5
165.12827	3.4
171.10271	50.3
172.10646	1.9
179.05630	1.6
181.12277	3.8
183.13840	2.4
185.11865	1.6
191.10826	1.5
197.11833	3.6
201.11311	13.3
207.10255	19.1
209.11826	100.0
210.12199	3.9
211.13396	14.2
215.12924	1.7
221.11853	1.8
225.11327	28.4
227.12863	12.9
229.14384	8.7
235.08232	8.3
243.12376	3.1
253.09247	20.4
262.53845	1.5
263.93546	1.3
272.06744	1.4
290.48605	1.2
291.19586	4.3
305.37888	1.2
307.19122	2.4
309.17303	1.3
309.20554	6.7
327.21735	65.6
328.22177	3.1
350.68680	1.4
351.22794	1.5
407.19110	2.5
461.20230	6.2
506.21976	1.5
771.41418	3.6
789.42920	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	790.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97466	1.2
59.01361	1.8
66.92577	1.3
69.03453	2.1
69.12958	8.2
69.67808	1.2
69.75525	1.4
71.01377	4.7
76.56992	1.2
77.58437	1.3
79.01873	1.4
81.03444	1.7
89.02473	1.7
95.01376	7.3
96.13339	1.3
97.02946	4.1
101.02452	1.3
101.78926	1.3
107.01408	8.6
108.02191	2.4
109.02959	4.1
111.00881	3.4
113.02448	1.9
119.05061	1.3
123.00883	25.0
124.01683	14.1
125.02449	76.3
133.82339	1.2
136.98819	1.4
139.00357	4.5
140.01166	3.4
151.00331	3.7
155.10838	1.5
165.01860	1.7
166.99840	5.6
168.00629	9.5
169.01416	97.7
170.01736	4.1
177.01955	1.5
179.03517	1.9
185.34467	1.3
193.01462	1.7
203.03514	1.6
211.02477	1.8
217.76167	1.4
223.02477	1.5
237.03877	1.3
257.13046	1.7
279.05118	3.3
295.04532	4.2
297.06366	2.4
313.05701	11.4
331.71417	1.4
405.08060	4.6
423.09201	4.3
465.06833	7.1
468.77762	1.6
557.09149	9.6
575.10498	15.5
727.11493	100.0
728.11554	10.6
790.30377	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	791.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00423	0.4
59.01393	0.5
67.01882	0.9
69.08295	2.5
71.01384	2.4
73.02942	0.7
75.30183	0.3
79.01874	0.5
81.03419	0.6
85.02967	1.8
87.00883	0.8
93.03455	2.7
95.01374	1.1
97.02917	0.4
99.00886	0.3
101.02438	1.1
107.01386	4.0
108.02171	3.8
109.02953	9.0
111.00889	0.6
111.04498	0.8
113.02422	1.4
117.03488	1.9
123.00883	9.5
123.04527	0.4
124.01670	5.8
125.02442	18.1
134.03738	22.4
135.04094	0.8
136.98781	1.0
137.02432	0.5
139.00343	1.9
140.01138	1.0
141.01956	1.3
149.06078	1.5
151.00363	8.2
152.00705	0.4
153.01939	0.4
155.03502	0.7
168.00670	2.5
169.01421	30.6
170.01749	0.8
173.04506	1.9
191.05624	7.5
193.05046	24.5
194.05386	1.4
211.02441	0.9
212.56255	0.4
223.02602	0.4
241.09169	0.3
253.03513	0.7
283.43811	0.4
302.48395	0.3
313.05609	9.0
314.06046	0.5
328.31348	0.4
367.10330	13.2
367.14926	0.7
368.10590	1.2
423.09311	100.0
424.09625	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	791.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
73.02942	0.9
75.00867	1.1
79.72545	0.2
82.95396	0.3
83.51392	0.2
84.95115	0.3
85.00409	0.4
96.96007	0.5
99.00874	0.8
99.92587	9.6
100.92594	0.5
101.02480	0.2
108.92600	0.2
114.93382	0.5
116.92859	100.0
116.97222	1.8
117.01938	2.3
117.92877	3.9
125.02412	0.2
171.10281	0.4
201.11325	0.6
209.11826	2.1
211.13271	0.3
253.09219	0.4
267.07672	0.3
281.26038	0.2
285.08798	0.3
327.21799	0.9
351.97964	0.2
397.13428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.5
61.98830	58.8
69.29826	2.9
71.01366	8.4
78.95893	10.5
98.22665	7.0
109.06589	13.8
116.92855	4.0
140.11954	2.9
152.99561	6.9
153.79765	2.8
161.04543	4.8
163.11269	8.5
171.10281	6.3
185.11668	4.0
207.10257	30.4
209.09808	5.0
209.11833	100.0
210.12112	5.8
225.11267	16.4
227.12849	19.8
230.35257	3.2
235.08249	6.9
253.09288	22.7
291.19684	57.0
292.19934	4.3
293.21216	37.2
307.19012	5.4
461.20163	9.1
705.32751	8.2
737.40704	8.0
791.39374	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	791.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65689	2.0
55.72659	1.9
59.01369	9.9
61.98827	16.8
69.03448	1.9
69.05128	2.1
71.01388	6.1
78.91826	2.0
78.95906	6.1
85.02950	2.8
89.02454	3.1
96.96035	3.9
97.02936	2.2
97.06573	3.8
101.02422	5.0
109.06570	2.7
111.08132	1.9
113.02512	2.6
117.51599	2.2
126.56127	2.4
132.11852	2.0
145.05072	3.1
161.04514	2.2
165.12822	6.2
181.12350	3.3
183.13885	38.3
185.11827	2.9
191.14403	3.6
193.12398	2.4
197.11899	5.0
207.10197	11.6
209.11864	16.3
211.13393	100.0
212.13683	4.9
225.11269	5.3
227.12872	9.2
235.08185	7.3
242.71538	2.2
245.19075	4.9
253.09236	18.2
289.18079	18.8
290.18091	2.7
291.19571	6.8
293.21149	8.7
294.21857	3.0
307.19162	28.7
308.19537	2.6
309.20627	11.7
445.20715	4.7
461.20367	2.9
463.21899	3.6
731.00720	2.3
755.42328	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	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.6
60.92825	1.8
61.98828	49.3
70.66269	3.3
71.01382	5.6
73.02908	2.0
83.05048	2.2
84.95134	3.6
85.00445	14.0
87.52187	1.7
89.02453	2.8
95.73732	2.2
96.95966	2.6
99.92602	11.7
103.01498	5.9
113.64671	1.9
116.92858	100.0
117.92860	5.0
134.89476	3.3
155.52843	1.9
171.10231	11.3
186.19014	1.7
209.11815	55.0
210.12123	4.6
211.13408	21.7
212.13824	2.4
227.12849	17.2
228.13300	2.2
253.09264	5.9
291.19614	27.6
445.20810	4.8
447.22443	3.0
527.28552	8.1
550.84869	2.0
719.40851	2.4
737.41412	2.5
791.39697	18.3
792.40485	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	791.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69938	8.5
61.98836	100.0
66.53474	8.5
73.47412	9.2
78.95906	33.8
83.51824	8.6
84.31320	9.3
91.68603	7.1
91.88113	7.4
92.94350	8.3
102.97395	8.6
152.99596	21.6
210.62003	8.5
211.13382	31.3
253.09547	11.9
284.84128	8.7
291.19803	10.4
293.21167	29.8
662.13104	10.4
791.44818	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.1
61.98820	34.3
69.60758	33.0
78.95912	23.2
152.99536	12.8
183.43568	7.7
209.11806	100.0
214.25487	8.4
227.12825	14.7
277.21725	87.0
293.21164	17.3
333.28571	9.0
362.60721	9.5
436.83981	10.2
617.21124	9.2
661.85278	9.7
791.43372	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34343	0.3
69.03455	0.5
69.91643	0.4
69.91972	0.7
71.01366	0.7
79.01923	0.4
79.92016	0.3
83.01388	0.5
85.02933	0.7
92.44315	0.3
95.01394	0.7
95.78831	0.3
97.02937	1.0
98.22538	0.4
107.01398	2.3
111.00900	0.7
115.44233	0.4
123.00874	4.4
124.00713	0.5
124.01654	14.0
125.02443	31.3
126.02737	0.6
127.04018	0.4
133.03023	0.3
135.04556	0.4
137.02461	0.5
139.00381	0.9
140.01144	1.0
141.01933	0.5
151.00388	2.3
151.15887	0.3
153.01752	0.4
167.03494	1.1
168.00623	3.5
169.01413	20.9
170.01759	1.2
179.03517	0.8
180.55818	0.3
191.05589	6.8
198.75819	0.3
211.02487	5.0
223.02444	0.5
224.89249	0.3
241.03445	0.7
253.03531	0.5
271.01660	0.5
271.04587	10.3
271.07397	0.7
272.04871	0.8
275.01855	0.6
287.07730	0.6
297.06137	1.1
300.99936	2.1
313.05618	6.9
331.06775	0.5
353.08801	1.4
423.09122	0.4
433.96326	0.4
439.08777	100.0
440.09134	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	795.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.30294	0.4
61.53208	0.4
67.01887	0.7
69.96143	0.7
71.01380	1.7
73.02941	0.9
78.17910	0.4
81.03446	0.4
85.02954	1.6
87.00887	0.9
93.03456	3.1
95.01396	0.9
97.02974	0.7
98.21981	0.6
101.02442	1.1
104.58204	0.4
107.01399	3.0
108.02173	3.1
109.02950	6.9
111.00880	1.0
111.04523	0.5
113.02442	1.1
121.02979	0.9
123.00889	6.9
124.01677	4.7
125.02451	17.3
136.98810	0.8
137.02457	0.5
139.00377	1.2
140.01132	0.8
141.01935	1.2
144.94676	0.3
150.99188	0.4
151.00368	6.2
153.01959	0.6
153.05591	0.4
155.29871	0.3
161.04475	0.4
168.00659	2.6
169.01422	25.8
170.01768	0.5
173.04510	1.2
175.41418	0.4
179.03513	0.4
181.05064	0.4
191.05598	8.6
192.05989	0.4
197.04512	0.5
211.02499	0.8
241.03592	0.7
253.03720	0.4
266.74576	0.4
271.04565	0.6
311.92328	0.4
313.05652	7.0
314.05920	0.6
351.07147	0.4
371.09811	4.8
423.09314	100.0
424.09619	6.3
425.10077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	33.1
80.87370	2.8
80.96533	4.0
96.96952	3.6
99.10030	2.9
104.60361	3.4
118.07143	2.5
128.52718	2.6
130.75705	3.1
149.44659	3.4
152.99593	29.4
171.00677	4.7
171.10280	9.9
211.13403	12.4
229.14482	6.9
239.43849	3.1
251.61971	2.8
255.23265	100.0
256.23642	6.7
329.23224	12.9
370.06934	3.6
795.50226	69.8
796.50372	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	797.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99294	3.4
63.81688	0.8
64.03571	0.7
67.01879	2.8
69.03449	2.3
70.71780	1.1
70.72146	1.2
71.01351	1.0
79.01885	2.3
81.03456	2.8
83.01365	0.9
84.74933	0.7
87.00843	0.9
88.98804	20.8
93.03472	0.8
95.01386	16.5
97.02936	2.8
101.02375	1.0
106.14626	0.7
107.01382	8.8
108.02186	1.1
109.02950	9.2
111.00871	2.0
115.05521	0.8
116.31249	0.7
116.79422	0.9
119.04995	1.0
121.02941	1.5
122.06065	0.8
122.99982	1.8
123.00885	37.9
123.04463	2.0
124.01664	21.9
125.02441	62.5
126.02792	0.8
127.00335	1.3
130.04292	1.2
131.05005	2.4
133.02953	2.1
134.54945	0.8
135.04509	2.4
136.01559	0.9
136.98799	1.3
137.02437	3.3
138.03146	1.1
139.00354	3.2
139.03989	4.7
140.01126	3.2
141.01968	3.5
143.04907	0.9
145.02959	2.2
147.04475	1.9
149.02440	1.9
151.03995	2.8
152.01126	0.8
158.03679	1.2
159.04532	4.0
160.01588	4.1
161.02448	3.9
162.03154	2.1
163.04025	1.5
164.01122	1.7
165.01912	3.1
166.99849	12.1
167.03516	1.3
168.00638	18.3
169.01421	51.0
170.01711	1.6
171.04474	1.7
173.02374	2.4
174.03194	1.6
175.03981	2.2
176.69849	0.6
177.01927	5.0
178.02406	0.7
178.99788	1.7
180.00558	1.1
181.01370	2.1
183.02969	14.2
185.02393	1.2
187.04013	5.1
188.01089	1.2
188.04753	1.4
189.01941	7.2
189.05505	2.1
190.02673	4.7
190.99829	1.5
191.03441	2.2
192.00668	9.8
193.01387	11.3
198.03111	0.8
199.03911	1.3
201.01912	1.8
202.02711	1.4
203.03398	4.2
204.00583	0.9
204.04204	2.6
205.01373	2.6
205.04993	1.5
206.02168	4.7
207.02972	7.1
211.02531	4.4
213.01988	2.0
214.02666	2.9
215.03481	6.5
216.00584	1.2
216.04147	2.4
217.01482	5.5
217.04968	0.9
218.02119	2.9
219.02924	4.1
220.03668	1.2
229.01328	6.2
230.02034	1.6
231.00816	1.3
231.02968	14.8
232.03749	7.8
233.00844	1.6
233.04539	3.1
234.01634	6.0
235.02412	5.8
242.02235	5.2
243.02893	2.5
244.03696	1.0
245.00838	1.0
245.04451	1.7
246.01643	7.0
247.02379	3.7
249.04060	4.5
257.04498	1.0
258.01666	2.0
259.02432	11.0
260.03235	36.4
261.04007	13.0
269.00757	1.5
273.04074	1.8
274.01138	1.3
275.05673	5.6
276.02722	15.4
277.03445	3.4
278.04257	2.5
281.04404	1.1
291.05103	4.8
293.06860	1.1
294.04135	1.1
297.04199	1.4
298.04865	1.0
299.59546	0.7
309.06131	1.9
309.17435	0.6
323.05478	1.5
339.05051	1.0
341.06641	10.3
349.03619	1.1
375.04980	2.2
381.05634	0.8
393.06107	11.2
399.06427	0.8
405.04416	1.1
407.07697	2.9
428.03821	2.0
429.04092	0.9
430.05267	1.2
443.06195	10.7
444.06662	2.5
445.07617	4.7
451.10297	2.1
461.07333	2.0
485.08524	1.2
503.09955	7.0
517.10968	4.6
613.07941	6.3
613.14282	3.1
627.08539	0.8
627.15845	1.1
631.09351	2.2
645.09674	7.9
655.10962	1.1
687.12634	0.9
765.15277	0.9
797.11969	100.0
798.12445	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	797.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61616	3.3
71.01382	4.9
95.01394	5.1
96.96049	5.8
99.15573	3.0
107.01379	4.5
108.02222	4.9
108.97984	3.3
109.02956	49.8
114.83842	3.4
123.00890	7.5
123.04494	14.6
124.01605	5.0
125.02451	38.2
133.02972	7.2
135.04506	8.2
145.02907	4.3
151.03998	14.4
161.02426	11.5
163.03993	5.1
168.00600	5.1
169.01436	31.3
177.01845	18.9
187.04237	3.6
189.01932	22.2
190.02754	4.2
191.03479	4.8
193.01389	12.3
201.01952	4.7
209.11777	4.7
215.03525	13.3
216.00648	6.1
217.01416	9.3
219.02962	4.6
229.01373	50.6
234.01628	4.6
239.03627	5.6
242.02203	39.7
243.02831	8.0
269.00940	16.6
274.01154	12.0
274.04507	3.7
281.04568	7.3
284.03284	3.8
285.03983	5.1
287.83423	4.2
297.04285	4.0
297.07587	3.9
299.05508	4.0
305.79892	3.5
323.05457	7.2
341.06686	60.1
349.03323	9.8
349.07181	4.9
351.05075	4.9
375.05069	26.4
393.01349	6.7
393.06180	100.0
394.06424	10.3
407.07642	14.2
451.10226	10.1
493.11682	6.3
503.09827	48.1
504.10098	5.5
517.11334	21.3
518.11780	4.7
595.12610	5.4
613.13672	24.1
627.15100	9.5
645.11255	18.3
655.10651	4.0
664.58423	4.4
797.17419	72.3
798.16797	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	797.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24541	0.4
59.01109	0.7
59.01375	5.0
66.11702	0.5
71.01372	2.4
83.01379	0.7
85.02946	2.8
87.00888	0.6
89.02439	1.1
89.14998	0.5
93.03423	0.8
97.02969	0.5
101.02439	1.0
105.94615	0.4
107.01392	3.6
111.00882	1.5
113.02430	0.4
123.00898	3.9
124.01638	7.8
125.02448	23.0
126.02737	0.5
127.00381	0.6
127.03991	1.1
133.02939	0.6
135.04520	1.1
136.98775	0.7
139.00351	1.7
139.03966	0.8
140.01137	1.8
151.00380	2.1
161.02435	1.0
163.04004	0.5
165.01860	1.3
167.03450	1.7
168.00635	13.0
169.01419	35.8
170.01849	0.5
173.04530	1.0
179.03467	0.8
183.02908	0.5
191.05611	47.5
192.06029	0.7
211.02475	62.2
212.02818	2.1
241.03494	2.4
257.00537	0.5
271.04581	100.0
272.04892	2.2
273.00308	0.5
275.01941	1.1
300.99854	2.3
301.05521	0.6
331.06683	31.6
332.06979	1.1
353.08759	8.0
389.82635	0.5
443.11926	67.5
444.12201	4.1
649.51532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
67.01852	0.2
69.03451	0.2
71.01361	0.5
83.05033	0.3
85.02454	0.3
85.02949	5.4
86.83487	0.2
86.96544	0.2
87.00873	1.0
91.79597	0.2
93.03451	2.0
98.21767	0.4
99.04528	0.4
109.02925	0.6
111.04514	0.7
124.01656	0.5
125.02453	1.2
127.04002	1.4
133.02948	0.8
135.04507	0.4
142.28040	0.2
146.25345	0.2
161.02455	2.0
168.00677	0.4
169.01390	1.0
170.38899	0.2
171.02937	0.4
173.04546	1.2
177.08478	0.2
179.03532	0.5
191.05598	100.0
192.05904	1.6
211.02440	2.1
262.94614	0.2
271.04608	2.5
301.77762	0.2
331.06714	0.8
353.08749	25.1
354.09186	1.0
443.11871	1.8
726.06873	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	798.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64982	0.2
59.01376	0.4
61.98829	100.0
63.40267	0.2
67.32746	0.2
72.65859	0.2
76.65423	0.2
85.00455	0.2
90.31318	0.2
96.49184	0.2
98.22615	0.6
100.64094	0.2
211.13452	0.9
212.13905	0.3
248.32573	0.2
291.19803	0.4
429.22183	0.2
757.77759	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	798.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
61.86447	0.8
61.98823	2.7
70.45210	1.3
71.01388	3.1
80.02727	0.8
81.03449	0.7
82.09860	0.8
83.05019	4.8
85.02926	1.0
89.02444	2.0
101.02448	2.9
109.06541	0.8
111.08173	2.4
113.02406	1.1
138.05537	0.8
141.01685	1.3
163.11316	3.8
165.12874	2.4
169.12350	1.1
171.10271	1.5
175.51726	0.7
197.11815	12.1
199.13406	2.2
209.11815	100.0
210.12201	3.0
211.13390	3.3
225.11264	0.8
227.12883	11.3
234.13591	1.0
235.08195	5.9
253.09262	10.5
256.73352	0.9
260.44519	0.8
291.19653	7.9
293.21152	1.3
309.20691	24.1
310.21179	0.9
376.37430	0.8
413.19974	1.0
439.71463	1.0
445.20761	3.1
629.55151	0.9
759.87537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98815	1.7
62.00332	0.4
63.85836	0.4
65.54923	0.4
69.37521	0.9
69.37930	1.2
71.01375	2.1
73.02934	1.1
78.95927	0.6
80.02680	1.0
80.85017	0.5
81.03442	0.7
83.01409	0.7
83.05029	3.0
84.02181	0.6
85.00450	0.4
85.02950	0.7
87.00850	0.4
89.02462	2.0
95.05069	0.6
98.21851	0.9
99.42027	0.4
101.02428	2.1
109.07837	0.4
113.02434	1.4
130.51450	0.5
137.66417	0.4
147.18538	0.4
161.04547	1.5
163.11269	2.7
165.12831	1.5
179.05621	0.8
191.10858	0.8
209.11823	100.0
210.12148	2.8
219.39464	0.4
227.12883	13.4
235.08203	5.0
253.06725	0.3
253.09253	8.5
277.21716	85.3
278.22083	3.9
279.42288	0.4
380.54218	0.4
427.20303	0.5
436.83371	0.5
445.20612	3.4
513.30652	2.6
799.41156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48920	0.9
59.01378	4.1
61.98815	4.1
67.40449	0.9
70.07546	1.8
71.01376	1.9
72.61369	0.7
72.99283	0.8
73.81884	0.7
78.95910	1.5
84.75741	0.8
85.00426	1.0
85.02965	1.1
87.00880	1.1
89.02452	1.6
92.32883	0.8
96.49608	0.8
101.02434	2.3
103.01510	1.4
113.02450	1.1
119.05299	0.9
145.06113	0.8
146.55688	0.8
161.04521	1.9
161.23750	0.8
167.14316	0.8
183.13908	4.8
195.13921	4.1
211.13397	100.0
212.13716	3.9
223.13342	3.1
235.08217	4.6
237.53177	0.8
253.09254	15.7
261.10379	0.8
275.20090	4.9
277.21695	1.7
291.19763	1.5
293.21219	66.2
294.21640	4.0
402.46408	0.9
447.22272	13.7
487.34338	1.8
529.30243	2.5
686.33142	0.8
723.43274	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	799.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
76.36373	0.5
81.22869	0.5
95.01376	1.1
107.01393	1.7
109.92575	0.5
117.03448	0.7
119.05058	0.6
123.00879	2.5
124.01631	1.7
125.02446	8.5
133.02980	0.7
145.02975	1.9
147.04546	1.6
151.00273	0.9
151.03981	0.6
157.02986	1.6
159.04529	1.3
161.02458	1.4
163.03984	1.6
165.51698	0.7
168.00656	2.2
169.01402	6.0
173.02383	2.5
175.03984	3.0
177.01971	1.5
183.02959	1.4
185.02469	3.6
189.01938	0.9
190.02591	0.8
191.03450	2.1
191.05434	0.6
201.01918	4.9
202.02582	0.5
203.03471	4.9
207.02963	0.7
210.01965	0.7
213.01903	0.8
217.01505	1.4
219.02998	1.9
225.04227	0.5
228.00876	0.6
229.01395	10.5
230.01942	0.6
231.03006	5.0
241.80127	0.6
245.00848	1.4
247.02460	1.5
247.80634	0.5
249.03999	5.3
257.00916	10.0
258.01566	3.6
273.00250	0.9
274.01273	1.6
275.01974	36.2
276.02304	1.2
283.99649	2.1
285.90714	0.5
299.99124	2.8
300.99878	100.0
302.00211	4.7
313.60300	0.5
319.00894	0.9
323.87994	0.6
437.07101	1.2
479.08057	1.0
497.09216	1.1
622.81824	0.6
647.08752	1.0
799.09955	20.2
800.10333	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	799.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	67.9
71.01377	35.3
71.14059	1.5
72.99305	2.0
73.02947	1.0
83.01367	1.6
85.02948	50.2
87.00867	2.8
89.02438	52.6
90.02775	1.1
91.33897	1.1
93.36898	1.0
95.01391	3.6
100.73684	1.0
101.02439	19.2
111.04482	2.2
113.02445	15.4
119.03493	21.3
125.02444	1.7
125.48102	1.4
129.05582	38.7
129.06557	1.8
131.03493	3.3
143.03462	4.2
149.04585	1.4
161.04523	7.2
163.00369	2.9
164.01111	2.8
169.01459	3.0
179.05603	44.4
180.05949	1.3
190.02768	2.6
190.99831	9.0
191.05492	1.5
192.00635	100.0
193.01378	14.0
194.02191	4.2
205.01376	5.0
205.04977	1.2
206.02145	1.8
207.02972	68.8
208.03317	1.5
213.76152	1.1
222.01711	1.9
233.00951	2.3
234.01706	13.4
235.02281	1.8
237.04001	2.0
246.32617	1.0
247.02444	1.8
249.04022	12.6
300.99857	3.3
309.11880	88.0
310.12201	3.2
312.04733	3.5
327.07184	33.7
328.07623	1.1
337.05569	1.4
354.05807	1.7
365.55505	1.0
369.08221	45.5
370.08395	2.5
396.07056	1.3
411.09378	2.5
483.07666	1.9
489.12457	19.5
490.12927	1.5
530.22498	1.2
679.15802	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	799.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	7.4
61.98826	6.1
62.55746	1.5
67.50024	1.7
70.94675	1.9
71.01369	3.3
83.05014	3.9
89.02440	3.5
92.86191	1.5
95.01331	1.6
101.02473	1.8
113.02497	1.6
123.95041	1.5
163.11322	3.8
172.38745	1.5
185.12070	1.7
195.13834	7.8
197.11795	3.5
209.11826	91.3
210.12128	4.0
211.13458	14.0
223.13431	3.9
227.12840	12.2
235.08211	1.7
253.09282	20.9
275.20187	6.1
291.10751	1.8
291.19675	3.9
293.21225	100.0
294.21643	4.1
309.20685	4.7
344.75705	2.0
401.72546	1.6
445.20901	2.7
529.30078	2.8
614.98578	1.8
761.67438	1.9
765.47388	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	800.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98828	100.0
62.98527	0.1
92.92814	0.1
97.73300	0.1
103.43781	0.1
113.29384	0.1
122.05393	0.1
144.87387	0.1
194.41335	0.1
209.11961	0.3
263.51224	0.1
341.95636	0.1
707.67188	0.1
771.45154	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	800.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96597	0.1
60.88214	0.1
61.98827	100.0
62.98519	0.2
70.36510	0.2
70.48583	0.1
74.78020	0.1
173.91676	0.2
187.63690	0.2
209.11896	0.3
210.12245	0.1
211.13477	0.7
212.13708	0.3
253.09386	0.2
291.19662	0.3
292.19852	0.2
293.21103	0.3
309.20798	0.2
310.20932	0.2
383.01270	0.1
383.72409	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24753	7.8
69.74770	1.2
74.33044	1.3
84.03460	1.1
85.02931	1.4
95.01382	2.2
105.86758	1.2
123.00887	6.6
124.01667	2.9
125.02462	6.3
135.04565	1.6
145.03018	1.3
147.04492	1.8
161.02466	1.8
163.03967	1.7
168.00618	1.8
169.01358	9.1
173.02417	3.6
175.03944	2.8
185.02400	4.4
189.01845	3.5
190.02693	2.9
191.03481	1.4
191.05678	7.0
192.05867	3.3
193.06035	1.9
200.00943	1.5
201.01941	5.5
203.03476	4.9
217.01434	2.6
229.01387	8.9
230.02104	2.8
231.02991	5.5
242.99228	2.0
245.00873	4.6
247.02516	5.3
249.04056	5.4
255.24232	1.3
257.00998	6.6
270.98956	2.9
271.04974	1.3
273.00388	4.0
274.01068	8.2
275.01917	20.6
283.99597	2.6
285.00464	3.9
298.98367	7.3
299.99072	22.8
300.99881	100.0
302.00266	5.7
314.35117	1.6
316.99307	1.8
425.01501	3.6
445.04022	2.0
463.05215	2.2
497.08832	1.5
551.95233	1.5
603.06177	1.4
605.08246	2.7
613.04700	18.8
614.05328	3.6
631.05652	9.7
632.06714	18.6
633.07294	26.1
634.07709	2.2
649.11005	1.4
757.08929	21.9
758.09589	2.2
795.28650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70731	4.3
85.02908	1.5
95.01377	4.0
97.10782	1.2
98.21853	1.9
107.96349	1.4
117.03488	1.6
123.00864	11.2
123.59157	1.3
124.01670	4.0
125.02438	10.5
132.02249	1.7
133.02934	1.5
142.52383	1.2
145.02954	4.7
147.04486	2.8
157.02902	4.8
159.04524	2.1
161.02429	3.0
163.00392	1.7
163.04063	2.2
166.99855	3.8
168.00684	2.2
169.01471	8.7
171.00876	2.1
173.02455	7.2
175.03992	6.3
180.03462	1.3
185.02434	6.0
189.01976	3.8
190.02652	3.9
191.03467	6.5
191.05428	2.6
200.01149	3.0
201.01927	10.9
202.02548	2.2
203.03487	10.6
213.01883	2.3
216.00594	2.1
217.01488	2.7
218.02142	2.9
219.02930	3.3
224.19931	1.2
226.99803	2.2
228.00610	1.8
229.01401	19.8
230.02182	4.4
231.03008	14.1
245.00935	10.5
247.02469	10.3
248.03192	2.4
249.03998	13.2
257.00912	15.8
258.01572	4.4
270.98752	2.6
273.00381	8.7
274.01141	11.3
275.01990	56.9
276.02377	2.4
283.99597	5.7
285.00247	4.2
291.01410	1.4
298.98288	3.3
299.99042	14.6
300.99896	100.0
302.00262	4.2
423.09290	2.1
425.01355	3.7
440.20471	1.3
457.79980	1.4
603.06433	1.6
613.04755	24.2
614.05267	6.3
631.05634	4.7
632.06744	7.6
633.07434	16.3
634.08087	1.4
757.08655	18.1
783.06519	8.1
801.07581	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.5
69.28927	2.0
81.03456	3.2
87.83582	1.8
95.01366	4.1
101.02425	1.8
107.01357	10.8
109.02940	2.5
111.00885	3.5
113.02409	2.4
121.02968	2.5
123.00904	13.9
124.01669	20.9
125.02451	84.6
126.02778	2.6
127.00370	2.0
129.48347	1.7
135.04437	2.1
136.01576	2.9
136.98802	2.3
137.02425	7.2
138.03255	11.6
139.00412	2.3
139.03958	3.7
140.01134	4.8
141.87363	1.9
148.01685	2.1
149.02397	2.8
151.00383	2.8
152.01129	5.7
161.02448	3.9
163.03998	3.5
164.01218	2.4
165.01929	10.8
166.02682	5.6
166.99844	5.5
167.03506	3.7
168.00610	15.5
169.01425	100.0
170.01823	1.6
176.01086	1.9
177.01857	2.9
178.02589	2.7
180.00621	19.8
180.04285	3.0
181.01378	4.4
181.04901	2.0
183.02948	6.5
189.01866	3.2
190.02748	4.3
191.03476	5.9
191.05428	2.4
192.00685	16.4
193.01396	14.7
194.02132	2.6
194.99310	6.8
195.02937	5.6
196.03676	4.6
203.03450	2.5
204.04204	3.3
206.02065	2.3
207.02980	6.0
208.03743	16.4
209.00859	4.4
209.04512	2.5
211.02472	37.3
215.03421	2.4
221.00938	1.6
222.01645	6.3
223.02492	3.0
223.06146	2.5
225.03995	6.0
231.03029	2.1
232.03741	14.9
234.01675	5.3
235.02412	7.8
235.46950	1.7
237.04041	6.8
241.03508	6.8
247.06125	3.1
249.03966	4.8
251.05382	1.9
255.05051	7.4
257.00830	2.9
267.05157	14.4
271.04608	8.3
275.02039	3.1
276.02628	5.4
277.03409	2.4
284.27609	2.0
291.05200	11.1
295.04507	2.1
298.98248	2.8
300.99985	16.1
301.05661	2.0
302.00140	4.4
303.00214	2.5
309.06100	6.2
312.04816	2.4
313.05545	3.8
327.07242	10.7
330.06116	4.0
345.08276	29.1
346.08636	2.1
423.05737	13.2
461.07199	20.6
464.60004	1.8
479.08328	96.3
480.08514	6.7
481.08984	3.6
497.09375	37.8
585.01764	2.2
617.07678	2.4
631.09540	16.9
649.10394	38.2
650.10632	3.3
710.95319	2.3
801.11871	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
67.01882	0.9
69.03448	2.1
69.75925	1.5
71.01376	1.3
81.03461	1.9
82.63177	0.6
87.00852	0.7
93.03452	1.4
95.01363	1.6
97.02940	1.9
107.01390	4.8
107.05015	0.6
109.02982	0.8
110.00117	0.7
111.00866	2.7
121.02981	1.8
123.00907	5.0
123.04534	1.0
124.01674	21.7
125.02450	72.9
126.02763	0.7
127.00400	1.0
133.02959	0.9
135.04495	0.7
136.01645	7.0
136.98810	0.7
137.02434	5.1
138.03239	11.1
139.00363	3.2
139.03998	2.2
140.01161	2.6
145.02951	1.1
148.01645	1.2
149.02417	1.5
150.03218	1.6
151.00385	1.5
151.04005	1.3
152.01143	8.3
153.01973	1.6
161.02431	4.2
162.03177	1.5
163.00418	0.9
163.04053	1.5
164.01158	1.7
165.01938	3.5
166.02731	7.4
166.99846	2.4
167.03471	3.4
168.00648	14.8
168.01958	1.1
169.01428	100.0
170.01799	2.1
173.02411	1.0
174.03159	0.7
177.01944	1.7
178.02725	5.8
178.99976	1.1
179.03499	1.5
180.00635	26.9
181.01422	1.0
181.05106	1.4
182.02179	1.9
183.02997	4.8
187.04060	0.6
189.01964	2.7
190.02724	6.9
191.03487	2.2
191.05641	2.4
192.00682	6.9
193.01453	7.2
193.05049	1.9
194.02151	2.4
194.99362	11.1
195.02998	7.6
196.03754	5.8
197.04565	1.5
198.73607	0.6
202.02527	0.6
203.03596	0.8
204.04256	1.0
205.01443	3.0
205.05046	1.5
206.02171	3.6
207.02983	9.2
208.03767	1.2
209.00945	1.5
210.01701	2.9
211.02477	35.4
211.06078	1.9
212.02797	1.0
219.02997	0.8
220.03777	1.6
221.00960	2.5
221.04483	0.8
222.01709	21.0
223.02303	3.2
225.04073	8.7
232.03770	2.7
233.04419	0.9
234.01683	10.3
235.02469	8.6
237.01642	1.1
237.04045	22.3
241.03543	14.1
242.04001	0.9
246.01489	0.7
247.02486	0.9
249.04042	7.9
250.04579	1.0
255.05092	12.4
256.02481	0.7
264.02893	0.8
267.05106	2.2
271.04568	11.2
273.04126	1.0
275.02011	1.9
276.02618	2.7
277.03400	1.4
279.05002	1.7
285.06204	1.7
291.05145	1.9
294.03876	2.4
295.04611	1.2
300.99921	4.6
301.05670	3.1
302.00366	2.3
303.00369	0.8
309.06198	5.0
312.04880	3.8
313.05661	2.7
327.07248	10.4
330.05884	7.5
331.06677	1.7
345.08249	50.8
346.08612	1.9
407.06284	2.5
417.08606	0.9
447.05655	4.7
461.07220	21.4
462.07797	1.2
465.07031	0.9
468.94336	0.6
479.08331	22.6
480.08923	1.5
497.09357	64.8
498.09686	3.5
617.08038	1.6
631.09393	18.4
632.10419	0.7
649.10443	72.9
650.10895	4.8
791.73285	0.7
801.10907	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	801.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
60.50872	0.6
64.98949	0.6
67.01881	1.8
69.03456	2.1
69.44183	2.4
71.01376	2.3
79.01902	1.9
81.03453	1.3
83.01399	1.1
83.33845	0.5
85.02969	2.0
93.03462	0.7
95.01389	5.5
97.02951	2.7
101.02452	1.8
107.01390	10.5
107.05054	0.6
109.02939	1.3
111.00878	1.9
113.02441	1.6
113.09338	0.7
121.02943	0.7
123.00886	19.0
124.00818	1.0
124.01665	12.9
125.02448	84.4
126.02802	1.2
127.00381	0.6
131.90112	0.6
133.41513	0.5
136.98801	1.3
137.02437	2.1
138.03166	0.8
139.00394	3.3
139.03989	3.0
140.01163	1.9
141.01920	2.3
143.03543	1.3
145.03014	0.6
147.04538	0.9
149.02460	1.2
151.00334	2.8
151.04001	0.9
153.01967	1.1
161.02448	1.5
163.04008	1.0
165.01921	0.9
166.99863	5.4
167.03436	0.8
168.00644	13.8
169.01424	100.0
170.01773	2.7
175.04016	1.2
177.01956	1.1
179.03494	1.8
181.01501	1.5
183.02985	10.9
189.02013	1.0
190.02687	0.8
191.03523	1.8
191.05630	1.9
192.00655	0.7
193.01442	3.2
193.04854	0.6
195.02969	0.8
203.03658	0.7
204.04195	0.9
205.01451	1.3
207.02954	0.8
211.02443	5.9
211.89226	0.6
217.01778	0.6
220.00230	0.7
221.04524	1.6
223.02527	1.1
234.01537	0.8
235.02547	1.3
241.03603	1.1
249.04060	1.0
271.04614	1.0
275.01947	0.9
277.03464	1.1
279.05008	2.5
285.03851	0.8
295.04553	6.5
297.06088	1.4
300.99924	4.3
302.00131	1.7
303.00470	1.7
313.05701	9.5
327.07318	0.8
447.05203	2.9
449.07104	2.5
465.06650	6.3
478.38824	0.7
479.08292	3.5
617.07861	4.4
631.09332	36.0
632.09772	2.5
635.09003	0.8
649.10284	6.0
801.11536	48.7
802.11902	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	801.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.8
62.77328	1.3
69.36819	5.8
71.01365	2.6
83.05030	1.6
85.02948	18.4
87.00871	4.4
90.80251	1.1
93.03454	10.2
99.04501	2.0
101.02500	1.3
109.02938	2.5
111.04495	2.5
123.26911	1.1
124.01625	1.5
125.02415	2.5
125.79724	1.1
127.04004	4.0
136.73148	1.3
137.02417	1.6
143.04942	1.2
149.02393	1.6
159.04395	1.4
161.02425	2.5
162.03195	1.3
164.01132	4.7
165.01918	1.7
166.02682	1.9
167.03484	1.7
169.01445	1.5
169.02933	2.6
170.03683	1.9
171.03014	1.4
171.04503	2.6
173.04521	2.9
173.06061	1.7
174.03221	2.7
175.03954	1.3
177.01997	1.7
177.25243	1.2
178.99847	2.1
182.03717	2.5
183.04457	7.2
185.06094	1.6
190.02711	2.2
191.05600	66.5
192.00636	64.3
192.02115	1.2
192.05753	1.9
193.01385	24.7
194.02122	2.5
197.02400	8.2
198.03218	25.7
199.03990	13.3
200.04723	2.5
201.05583	8.5
202.02667	2.7
205.01234	1.7
206.02155	3.3
207.02971	16.3
209.02408	2.3
210.03113	1.6
211.04005	13.2
213.01949	1.8
214.02631	1.7
215.03461	1.6
221.00928	1.9
222.01538	1.6
225.01933	17.4
225.05577	1.6
226.02705	18.1
227.03479	26.8
228.04164	2.6
229.01392	4.7
229.05025	13.8
233.00856	1.4
234.01683	7.9
235.02449	3.7
241.05022	1.7
242.02261	2.6
243.02910	1.7
245.04517	2.6
249.04056	3.1
252.00449	1.7
253.01402	66.3
254.02034	7.8
255.02985	16.5
269.00891	6.9
269.04401	2.0
271.02386	2.9
273.04089	7.6
280.97983	2.5
281.00882	32.2
282.01312	2.1
285.03641	1.4
297.00467	19.2
297.03809	2.1
298.01169	100.0
299.01819	14.5
300.99695	1.4
307.02341	1.5
308.03149	1.6
309.06308	1.9
312.04791	3.0
315.04926	2.6
337.03326	2.6
341.03110	1.6
453.03683	1.3
473.06964	4.4
565.09344	1.5
583.10889	10.6
591.07800	2.9
609.08832	42.9
610.08881	5.0
627.09857	33.7
628.10217	3.3
801.15210	65.0
801.38885	2.9
802.15649	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	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98532	0.1
63.04166	0.1
64.72207	0.1
71.01388	0.1
71.05991	0.1
74.72505	0.1
75.02728	0.1
78.95939	0.1
80.96525	0.1
104.42931	0.1
110.09538	0.1
132.46175	0.1
190.10422	0.1
209.11824	0.1
293.21033	0.1
304.31757	0.1
356.64151	0.1
368.75470	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53008	0.2
59.01368	0.3
61.98830	100.0
63.27875	0.1
63.99258	0.2
69.11224	0.2
78.95938	0.2
80.96519	0.2
101.85761	0.2
116.92869	0.7
117.92892	0.3
148.40329	0.2
209.11769	0.2
211.13474	0.4
332.47174	0.2
420.43344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72621	0.3
58.47068	0.2
61.98829	100.0
64.45055	0.2
79.95740	0.2
107.81579	0.2
127.90502	0.2
134.41003	0.2
209.11833	2.1
210.12149	0.5
227.12936	0.3
253.09198	0.4
276.73956	0.2
277.21719	2.3
278.22162	0.3
425.24231	0.3
524.84985	0.2
733.37891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
61.98826	100.0
71.65108	0.2
78.91889	0.6
80.96533	0.7
84.83128	0.3
96.96002	0.2
103.24032	0.2
120.27746	0.3
185.29507	0.3
207.10164	0.2
209.11803	2.0
210.12201	0.3
227.12796	0.3
277.21814	1.1
279.23193	0.3
302.89410	0.2
361.29770	0.2
803.39172	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	802.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
68.88605	0.2
69.89122	0.6
69.89457	0.2
76.38411	0.2
117.95734	0.2
177.76379	0.2
236.97775	0.2
264.28421	0.2
294.80695	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	805.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02497	0.2
59.01380	0.3
66.47532	0.2
67.86111	0.2
71.01383	1.2
71.44275	0.2
73.02934	0.4
81.03464	0.5
83.01369	0.4
85.02946	1.2
93.03446	0.5
95.01383	0.6
96.96006	0.2
101.02438	0.7
108.02167	46.1
109.02956	16.6
110.03295	0.3
111.18433	0.2
111.35815	0.2
113.02421	0.5
114.90063	0.2
121.02959	0.6
123.00864	0.6
123.04506	0.8
125.02504	0.3
133.02957	0.4
135.04553	0.3
151.04027	1.1
152.01147	39.2
153.01938	17.5
153.02913	0.2
153.03244	0.2
163.04041	0.9
165.01907	1.3
169.01424	0.4
181.05048	0.4
191.05603	1.0
192.00638	1.4
207.02997	1.0
211.80127	0.2
223.53339	0.2
231.03024	0.2
238.03658	0.2
247.96326	0.3
249.03929	0.4
257.00882	0.3
273.00500	0.4
274.01108	0.7
275.01907	0.9
289.97568	0.6
298.98218	0.7
299.01688	0.6
299.99042	2.1
300.99881	3.2
302.00180	0.3
315.07196	100.0
316.07526	2.7
327.07220	0.4
369.08295	0.7
405.95392	0.5
420.97516	0.3
463.05215	0.9
481.06073	0.6
565.01929	0.5
583.03064	1.6
592.06329	0.2
625.10919	0.6
643.11395	0.7
805.16699	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01375	1.9
60.99308	1.2
67.01888	4.7
69.03442	1.8
69.35210	0.9
69.35611	1.4
71.01397	2.1
73.02912	0.4
79.67754	0.4
81.03441	0.7
83.05011	1.1
85.02947	4.6
87.00869	6.6
93.03458	30.2
98.22598	0.9
99.00868	0.7
99.04515	0.8
107.01397	1.6
108.02174	1.6
109.02969	3.0
111.00882	0.6
111.04517	4.4
113.02431	0.7
117.03488	0.8
123.00905	1.0
124.01658	2.0
125.02451	0.5
127.03991	1.2
129.01958	0.9
134.03734	9.9
134.04697	0.7
137.02437	1.2
139.04025	2.4
140.01221	0.6
141.01993	0.5
149.05997	0.7
155.03485	1.8
168.00662	2.4
169.01433	0.8
173.04549	30.6
175.03979	1.1
183.02980	7.8
191.05609	100.0
192.05943	1.8
193.05060	6.9
320.57855	0.4
327.07330	3.0
347.75317	0.5
367.10318	42.4
368.10678	1.6
422.08609	1.0
437.10898	26.4
438.11029	2.1
818.08698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01378	3.6
59.01664	0.4
61.98830	1.8
67.03403	0.2
67.76286	0.2
69.97688	0.2
71.01375	2.2
73.02947	0.3
75.07278	0.2
78.91897	0.3
78.95885	0.3
79.15773	0.3
79.95695	0.2
80.96530	0.2
82.95413	1.2
83.01373	0.2
85.02946	0.6
87.00866	0.7
89.02446	2.0
95.04995	0.2
98.21777	0.5
101.02441	1.8
111.08162	0.4
113.02442	1.1
113.09676	0.3
119.03508	0.6
143.03444	0.3
161.04562	1.0
167.10777	0.3
179.05675	0.3
179.14450	0.7
195.13890	6.9
196.14621	1.3
205.12373	0.5
205.15953	0.3
211.13196	0.3
223.13385	5.2
224.14037	0.7
231.21036	0.3
235.08191	0.9
253.09277	16.5
256.13168	0.9
265.21786	0.5
275.20157	5.0
293.21216	100.0
294.21521	4.1
428.05737	0.2
432.68069	0.2
487.99783	0.3
492.21616	0.4
529.30511	1.3
569.42499	1.5
726.79443	0.3
742.86096	0.3
805.40808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	4.4
61.98818	18.9
68.97847	4.1
69.10011	28.8
79.95694	4.9
82.95421	7.5
85.00451	11.7
88.86005	4.0
90.50915	4.7
96.96025	6.8
99.92578	12.6
116.92853	100.0
116.97274	9.3
151.94357	4.1
197.11864	6.5
209.11832	44.9
211.13373	9.3
227.12886	17.8
235.08319	5.7
253.09261	13.5
325.20218	35.0
327.21582	10.3
335.35803	4.9
561.29352	7.7
572.91052	5.1
586.51086	6.5
680.09662	4.6
771.40417	7.6
781.64941	5.0
807.39337	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.43
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12613	12.7
61.86473	13.6
61.98832	100.0
62.77571	13.3
70.66441	14.6
77.80451	12.3
78.95927	17.3
211.13385	54.9
219.10634	15.6
235.09531	19.3
253.09465	14.1
275.71307	13.6
291.19675	14.0
309.20514	15.0
807.42236	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	807.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	23.8
61.98834	51.8
69.88120	14.7
69.88483	14.4
71.01389	43.8
78.95923	12.0
79.14771	7.4
83.05038	6.9
88.00501	6.7
90.27470	6.8
91.96803	6.3
92.92776	8.9
96.95999	12.4
97.02956	7.0
101.02477	11.8
109.06582	26.5
111.08138	13.1
137.60303	6.8
147.07083	7.2
151.11090	7.6
163.11322	22.8
171.10280	9.3
177.18843	7.7
179.10875	8.4
195.13950	9.2
205.08754	8.6
207.10258	61.6
209.11984	32.6
211.13432	16.1
213.11172	9.2
223.09804	12.6
225.11325	43.0
235.08189	7.8
253.09216	24.9
291.19681	100.0
293.21188	44.5
307.19086	11.4
309.20746	14.6
461.20459	8.4
703.58264	7.5
807.43604	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	807.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
61.98823	47.0
71.01387	16.7
85.25613	11.0
90.73271	11.5
96.95982	12.9
101.02410	11.8
114.98123	10.7
115.35382	11.2
142.35896	11.2
171.10197	14.1
191.42459	10.7
209.11803	100.0
211.13426	16.0
225.11346	11.9
227.12727	21.4
235.08119	17.3
253.09210	26.8
291.19522	21.1
293.21255	89.6
807.42737	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	1.6
67.60778	0.5
70.29400	0.8
71.01393	0.9
72.93681	0.5
75.00866	1.6
75.08591	0.5
78.57747	0.4
81.82127	0.5
85.00420	0.7
98.22588	0.8
103.00494	5.8
103.01496	73.4
116.92843	1.9
134.89548	1.0
135.03000	0.7
171.10242	0.6
195.91832	0.5
209.11798	2.0
463.85461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01341	1.7
63.46339	1.4
64.47006	1.4
67.01888	3.6
71.01382	1.8
79.01878	1.9
83.73610	1.5
89.03988	1.3
95.01381	16.6
97.02964	2.8
107.01354	6.2
111.00861	2.2
121.02946	4.0
123.00887	45.9
124.01655	16.3
125.02442	47.6
127.00354	1.7
131.05002	1.6
135.04527	1.8
137.02423	5.4
138.03294	1.5
139.00346	3.8
139.03989	3.4
140.01131	2.9
141.01994	2.9
143.04929	1.5
145.02901	3.0
147.04454	1.6
152.01196	1.5
153.05522	1.7
158.03629	1.7
159.04509	2.1
160.01637	4.3
161.02414	3.9
162.03252	2.6
163.03964	2.0
165.01929	2.4
166.99850	12.8
168.00633	13.2
169.01427	46.5
173.02399	2.0
177.01903	4.2
181.01434	3.1
182.02188	2.8
183.02924	8.1
187.03973	5.2
188.01172	1.7
189.01906	4.4
189.05664	1.5
190.02727	3.3
191.03432	2.0
192.00647	8.2
193.01392	8.1
197.04402	1.8
198.02979	1.5
201.11372	3.2
203.03459	5.2
204.04182	2.5
205.01379	2.7
206.02193	5.7
207.02977	6.4
209.11728	1.8
211.02403	2.5
214.35309	1.6
215.03410	2.8
216.04247	3.0
217.01353	2.7
218.01964	1.6
219.02957	3.0
228.03973	1.5
230.02051	3.7
231.02957	18.1
232.03702	6.1
233.00885	1.7
233.04556	5.4
234.01720	7.2
235.02443	2.9
246.01591	6.3
247.02345	1.7
249.04028	6.6
250.05147	1.8
257.04684	2.9
259.02509	13.8
260.03235	41.5
261.04004	14.9
273.04144	1.6
275.05496	5.3
276.02695	8.5
277.03433	6.0
278.04153	2.7
291.05020	5.0
309.06238	1.9
401.05200	1.9
443.06107	11.5
445.07669	5.1
461.07330	1.8
613.08160	4.2
627.09747	3.8
659.12518	11.9
660.11267	1.9
811.13635	100.0
812.14087	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	811.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
72.52256	1.2
74.72703	1.3
75.52769	1.3
75.53896	1.2
75.73621	1.3
77.53780	1.3
78.95914	1.6
103.00362	4.0
103.01492	63.7
185.46201	1.2
289.96649	1.3
572.41632	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	813.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78500	0.2
57.03443	0.4
59.01371	1.3
59.29654	0.2
60.72089	0.2
60.99310	1.3
67.01895	4.0
69.03449	1.3
69.65952	0.4
69.66297	0.6
71.01384	1.7
73.02944	0.4
81.03455	0.8
83.05011	0.5
85.02949	4.6
87.00879	6.3
93.03460	26.2
94.03784	0.3
95.01396	0.4
98.21925	0.4
99.00908	0.6
99.04502	0.6
101.02416	0.3
109.02956	1.0
111.04520	4.4
113.02481	0.3
115.04008	0.3
117.03465	0.7
123.00886	0.7
125.02441	0.9
127.04003	1.5
129.01927	0.6
134.03746	8.6
135.04108	0.3
137.02510	0.3
143.03484	0.4
149.06084	0.7
155.03484	0.9
160.01628	0.5
169.01413	1.0
171.03015	0.3
173.04538	8.9
175.03999	0.8
178.02724	0.4
191.05612	100.0
192.05891	2.8
193.05031	4.8
275.01959	0.3
300.99866	1.0
323.12604	0.4
367.10318	38.0
368.10626	1.9
381.59387	0.2
445.17648	0.4
517.41553	0.2
566.92194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36781	0.6
95.01380	1.5
98.22651	2.2
109.02905	0.6
115.26373	0.6
119.05025	1.2
123.00885	2.1
125.02431	2.2
129.03465	1.6
131.05017	1.0
133.02960	1.0
135.04477	0.6
145.02982	3.2
147.04536	2.5
148.90207	0.6
157.02948	2.5
159.04507	1.8
160.56412	0.5
161.02478	1.3
163.04028	2.6
173.02434	4.6
175.03996	4.2
177.01942	1.9
185.02438	6.1
187.04094	0.6
189.01923	1.4
190.02757	1.8
191.03539	2.8
191.05507	0.7
200.01131	0.7
201.01941	8.4
201.78310	0.6
202.02687	1.2
203.03485	8.6
203.05211	0.7
205.01469	0.9
205.40855	0.6
213.01991	2.2
214.02591	1.2
216.00482	0.6
217.01454	2.1
218.02161	0.9
219.03001	2.3
226.99908	1.6
229.01396	19.1
229.60590	0.8
230.02042	1.7
231.02951	6.8
233.00888	0.7
245.00935	4.3
247.02487	2.8
249.04015	6.6
257.00925	14.6
258.01688	5.3
273.00391	2.1
274.01163	2.0
275.01974	53.6
276.02243	3.1
283.99646	4.2
298.98389	0.8
299.99109	3.7
300.99893	100.0
302.00180	5.4
461.13028	1.5
481.06274	2.1
745.26978	0.7
782.91968	0.9
783.06830	20.7
784.07196	3.1
815.09509	22.0
816.09839	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	815.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.5
65.74435	1.2
66.65757	1.1
67.01893	2.1
69.03459	2.1
69.18137	2.6
69.18542	4.3
71.01376	5.3
77.98304	1.1
79.01908	1.3
81.03452	2.2
83.01392	1.6
85.02969	2.6
89.02473	1.9
93.03483	2.1
95.01398	8.6
97.02946	4.1
101.02444	3.3
106.60705	1.1
107.01380	21.7
109.02923	4.7
111.00892	2.3
113.02443	3.0
116.92832	3.7
121.02947	2.8
123.00880	24.9
124.01664	27.5
125.02448	84.1
127.00422	1.9
135.04541	3.2
136.98798	2.1
137.02469	3.0
138.03226	2.7
139.00392	4.8
139.03999	19.5
139.04993	2.0
140.01125	3.7
141.01886	2.5
145.02838	1.4
148.33879	1.4
149.02486	2.9
151.00377	2.6
151.04022	1.7
153.02007	1.5
160.01695	1.2
161.02441	3.4
163.03973	2.5
165.01945	2.8
166.02686	1.9
166.99850	11.7
168.00629	29.3
169.01422	100.0
170.01735	2.2
175.04019	2.9
177.01981	3.7
179.03481	10.9
181.01414	1.6
183.02986	62.8
189.01945	1.9
191.03462	2.7
193.01414	5.3
193.05040	1.4
205.01431	3.0
205.05032	2.2
207.02966	3.8
210.01724	1.4
211.02542	2.1
215.03583	1.4
221.00940	2.1
225.04048	4.4
233.04529	1.7
235.02528	3.3
235.06169	1.3
255.05089	2.6
289.07224	3.5
295.04504	3.7
300.99844	1.4
309.06174	3.6
313.05508	4.9
327.07056	5.9
347.17178	1.5
417.08267	2.4
441.07977	1.5
461.07254	9.2
463.09048	1.7
464.05746	3.3
479.08365	40.6
480.08911	2.4
558.30621	1.2
587.10437	13.0
610.92957	1.3
631.09357	95.4
632.08990	6.0
645.11151	3.4
649.10541	1.3
663.12726	2.3
815.13135	15.9
816.13831	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
61.98821	3.1
65.46377	1.3
66.00043	1.4
66.82651	1.4
70.48029	2.8
71.01380	5.4
75.00870	3.5
78.95892	4.1
83.05029	3.7
86.03328	1.2
87.58773	1.6
88.98780	2.5
89.02431	2.6
101.02425	2.3
103.01448	2.0
163.11252	2.8
171.10287	1.6
174.29959	1.2
180.07800	1.3
191.10735	1.4
207.10255	2.2
209.11824	100.0
210.12103	2.5
217.10518	1.3
227.12910	11.0
233.22394	1.4
235.08221	3.0
241.01178	1.9
253.09258	10.3
255.23349	2.0
277.21713	85.2
278.22260	3.7
364.08908	1.3
445.20691	3.5
456.93732	1.4
732.80865	1.4
797.40784	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	815.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.25210	19.1
78.80733	13.4
79.95731	27.5
80.96504	100.0
85.02957	13.8
94.98080	25.9
143.47554	14.6
164.98611	21.6
196.11559	14.2
225.00659	27.9
769.25842	15.1
776.01624	16.1
815.49615	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
59.11273	0.3
61.98827	100.0
80.96518	0.5
98.02407	0.2
103.01532	0.3
108.43424	0.2
127.39378	0.2
137.65509	0.2
166.82210	0.3
209.11882	0.7
210.12155	0.2
211.13414	0.4
309.20700	0.3
816.49237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	74.8
69.33906	18.1
77.61525	3.4
85.20081	3.0
88.45395	3.3
122.10667	3.0
157.03545	5.6
159.01512	7.1
174.99211	26.1
194.92755	3.7
201.02565	40.1
201.32431	3.3
202.02730	5.8
203.02417	4.7
217.00293	100.0
218.00690	4.7
218.16121	3.4
352.91385	3.4
359.01492	14.3
374.99118	51.2
441.49249	3.4
517.00171	11.0
529.69287	3.7
532.98126	20.1
674.99475	3.9
813.90149	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	817.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90717	0.3
59.01367	0.4
67.01879	0.5
67.92150	0.3
69.03450	0.8
71.01393	0.7
71.44678	0.4
79.01897	0.6
81.03452	0.5
85.02940	3.0
87.00871	0.9
93.03455	1.9
95.01401	1.3
97.02930	0.6
107.01393	2.0
109.02936	0.3
111.00885	0.3
111.04517	0.7
119.05024	0.4
121.02948	0.4
123.00890	4.1
124.01652	3.3
125.02444	30.5
126.02737	0.4
127.04007	1.0
133.02969	0.5
136.01665	0.5
136.98849	0.4
137.02425	0.4
138.03230	0.6
139.00385	0.6
140.01202	0.6
141.01874	0.7
145.02925	0.9
149.02490	0.4
151.00412	2.1
152.01024	0.4
161.02414	2.0
162.03220	1.5
163.03972	1.0
164.01042	0.5
165.01799	0.4
166.02673	1.8
166.99832	0.7
167.03519	0.3
168.00664	1.7
169.01418	40.4
170.01712	0.7
173.02452	0.6
173.04559	0.9
177.01877	0.9
178.02771	0.8
178.99782	0.5
183.02968	0.6
189.01886	0.5
190.02737	5.9
190.04437	0.3
191.05608	50.4
192.00639	17.2
192.05957	1.3
193.01408	7.1
194.02222	2.7
194.99388	0.4
205.01459	2.6
205.05066	0.7
206.02220	3.6
207.02956	8.3
211.02422	1.6
217.01401	0.6
220.00258	0.5
221.00943	1.0
222.01695	1.9
233.00845	0.4
234.01682	13.3
235.02399	1.4
237.04025	1.4
243.03021	0.4
245.00859	0.5
246.01625	1.6
249.04042	8.9
253.03365	0.4
255.03091	0.4
271.02185	0.5
271.04666	1.1
276.02618	0.4
286.04745	0.4
294.03940	2.5
295.04373	0.5
295.17059	0.4
299.99448	0.3
300.02771	1.4
300.99850	1.3
309.06070	2.0
312.04880	4.4
313.05753	0.7
327.07162	2.7
337.09290	12.8
338.09503	0.6
464.06000	0.5
466.53635	0.4
479.08261	100.0
480.08472	6.1
480.15411	0.5
698.68311	0.4
755.20709	0.8
829.64050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.64926	0.3
71.01395	0.1
141.76170	0.1
150.17554	0.2
194.76521	0.1
209.11925	0.3
210.12148	0.1
211.13440	0.2
312.37857	0.1
846.46948	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.1
61.98828	100.0
62.98544	0.1
74.17438	0.1
202.88019	0.1
209.11916	0.2
259.96268	0.1
325.14392	0.1
344.30542	0.1
455.55331	0.1
584.98645	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98827	100.0
69.13375	0.9
78.91891	0.4
80.91686	0.5
120.78159	0.2
209.11861	0.3
219.17717	0.2
293.21408	0.4
294.21753	0.2
588.94904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.20733	0.2
80.96523	0.2
96.96059	0.2
109.85558	0.2
149.53200	0.2
209.11880	0.4
272.89600	0.2
277.21817	0.3
444.25192	0.2
517.98126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.88865	0.4
71.01388	0.2
85.13140	0.2
88.98826	0.4
116.06290	0.2
205.49751	0.2
211.13493	0.4
224.10309	0.2
225.84955	0.2
277.21823	0.2
469.77911	0.2
525.85614	0.2
768.91467	0.2
809.49945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01379	21.8
61.98828	2.3
67.54531	0.4
69.03442	1.3
71.01378	16.0
71.01778	0.8
72.99296	0.4
73.02940	2.1
76.95270	0.4
80.02679	1.6
80.91721	0.4
81.03465	2.0
83.01382	1.7
83.05026	5.9
84.02158	1.0
85.02962	3.0
87.00868	3.6
87.65395	0.4
89.02441	13.9
91.03998	0.5
95.01390	1.3
96.96007	1.9
97.02942	2.0
97.06570	0.6
99.00858	1.2
101.02434	10.6
102.15659	0.5
113.02441	6.5
119.03506	2.9
125.02448	5.7
125.06095	0.5
130.18420	0.4
131.03516	0.4
135.08131	0.6
138.91193	0.4
139.03981	0.6
143.03491	2.6
147.11659	0.5
161.04564	3.9
163.11301	4.8
165.12822	2.2
167.03535	0.5
171.10245	0.5
179.05592	4.2
181.12267	0.5
183.13898	5.0
190.09644	0.5
191.10793	1.3
193.12331	1.2
199.06102	0.5
199.13396	0.9
207.10291	0.5
209.11819	100.0
210.12170	4.5
211.13382	82.5
212.13747	4.8
217.07257	0.7
221.06670	1.2
227.12881	15.2
228.13258	0.6
232.84265	0.4
235.08220	4.8
249.14912	0.7
253.09267	1.2
287.07663	1.4
305.08746	1.8
323.09680	1.0
379.12408	6.8
397.13474	39.9
398.13776	1.6
403.24591	0.5
415.14587	8.4
416.14670	0.6
589.24902	0.7
591.26141	2.4
607.26306	2.6
609.27606	2.8
783.38062	0.8
801.38812	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	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.36620	0.4
59.01379	24.9
61.98820	1.1
66.00587	0.3
69.03448	0.8
70.28909	0.4
71.01380	17.2
72.99303	0.7
73.02946	2.7
80.02677	1.3
81.03453	2.0
82.95415	1.4
83.01402	2.0
83.05025	5.5
84.02142	0.5
85.02949	4.2
87.00874	3.5
89.02447	13.5
95.01387	2.0
95.05025	0.8
96.95979	0.8
97.02944	2.3
97.06594	0.4
99.00878	1.0
101.02440	11.9
109.02909	0.5
109.06639	0.4
111.04504	0.9
113.02453	8.2
119.03501	3.2
125.02454	5.4
125.06059	0.7
125.09760	0.5
131.03450	0.6
135.08202	0.9
143.03502	2.5
149.04550	0.5
161.04536	3.1
163.11272	4.2
165.12914	2.5
167.03505	0.4
167.14464	0.5
171.10233	1.0
179.05624	4.3
181.12335	0.6
183.13905	6.5
191.10719	0.9
193.12383	1.9
209.11823	100.0
210.12177	4.9
211.13388	91.7
212.13728	5.0
217.07231	0.5
221.06667	1.4
223.13364	0.4
227.12889	14.6
228.13199	0.8
235.08234	5.7
251.12901	1.0
253.09363	0.7
259.08130	0.7
263.07947	0.4
269.06799	0.5
287.07758	1.6
305.08875	1.9
323.09772	1.2
352.38974	0.4
379.12457	6.7
397.13477	40.0
398.13947	2.5
403.24777	0.6
415.14542	9.9
415.19968	0.6
416.15015	0.7
531.38757	0.5
589.25153	1.4
591.26978	2.5
592.26807	0.5
607.26025	2.1
609.27942	4.0
620.27362	0.4
712.52844	0.4
783.38086	1.0
801.39856	0.7
819.39020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.0
61.98819	3.5
70.14986	2.1
70.15305	1.8
71.01370	6.1
73.02953	1.5
80.96534	1.2
83.89633	1.3
85.00438	2.2
85.02964	1.2
87.00879	1.7
89.02449	3.4
96.96010	1.3
101.02428	3.7
108.90125	1.2
111.08173	7.9
113.02422	2.4
113.09648	1.1
161.04515	1.9
167.10831	1.6
177.12849	1.3
179.10762	1.3
185.11819	1.6
195.13914	12.7
196.14337	1.3
223.13306	6.2
235.08281	2.0
253.09297	19.9
255.23318	1.4
275.20123	6.6
277.21817	1.8
291.19666	100.0
292.19952	3.8
293.21222	87.6
294.21463	5.6
307.19507	1.4
368.15262	1.1
397.13333	1.5
412.91644	1.3
527.29175	1.4
642.43579	1.4
645.81348	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	823.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.7
61.98827	31.6
71.01376	82.0
73.02924	8.8
81.03452	5.8
83.01393	5.7
83.05054	7.7
85.02967	6.8
89.02464	12.4
96.96015	11.6
97.02953	14.6
97.06624	8.4
99.00890	6.1
101.02447	14.6
109.06600	41.8
110.03734	8.0
111.04479	6.2
113.02458	7.4
121.06592	5.9
125.09722	14.7
135.08176	6.3
157.08691	4.8
157.79463	5.0
161.09718	7.9
163.11224	25.0
165.12831	6.7
171.10246	30.0
173.23764	4.9
179.10745	11.7
181.12460	7.7
185.11818	8.4
187.09737	5.1
189.09297	5.1
191.14383	5.2
193.27171	5.8
194.61578	4.7
197.11865	10.0
199.09790	11.1
201.11327	14.5
205.08801	23.7
207.10271	100.0
209.11833	44.5
213.11336	14.4
223.09727	56.9
225.11288	50.7
227.12932	9.9
241.10721	6.8
245.19130	11.1
245.76651	4.4
248.95291	5.5
253.09232	30.0
289.18097	28.3
291.19733	33.5
293.20981	5.4
307.19067	12.5
309.20670	26.5
461.20285	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	823.388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
61.98825	13.9
66.95908	3.0
70.80502	1.5
71.01378	12.6
80.91683	5.7
82.95416	100.0
96.96041	2.8
113.06110	3.6
163.11121	1.6
171.10243	5.5
199.09793	4.5
204.08304	1.6
207.10249	3.2
209.11821	41.1
210.12222	3.3
211.13441	3.4
225.11354	5.6
227.12915	11.8
253.09349	5.7
332.22058	2.0
334.31201	2.2
486.71695	1.8
542.11755	1.7
611.83789	1.6
627.30566	1.9
653.30847	3.6
823.38544	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	823.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.9
61.98826	93.2
69.35030	32.1
69.35395	15.2
71.01396	10.7
78.95940	10.7
80.96514	10.5
96.95982	8.9
116.92857	63.9
171.10271	17.9
173.00928	9.7
195.91010	8.3
197.11833	23.2
199.09766	10.1
207.10155	12.5
209.11823	98.5
225.11147	11.8
227.12885	31.0
229.86914	9.9
235.08133	9.7
253.09215	15.7
289.18030	9.1
291.19672	24.3
309.20663	64.6
377.33212	8.7
717.64465	8.5
823.42352	100.0
846.60559	10.0
849.62701	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	823.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	29.5
66.33776	3.8
71.01358	9.6
80.17537	4.0
82.95397	6.8
89.02444	4.4
101.02410	8.1
116.10020	4.1
116.92866	35.2
117.82975	3.9
133.04785	4.4
171.10252	8.2
207.10272	11.2
209.11827	100.0
211.13429	6.4
225.15021	5.5
227.12970	23.8
235.08176	8.7
237.14890	5.8
253.09286	22.5
284.47586	4.8
300.69513	4.7
305.17557	4.4
311.66202	4.6
341.23349	52.4
342.23712	5.3
445.20688	5.0
461.20261	4.3
528.64801	5.1
577.31934	7.7
823.42511	45.2
824.42560	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	827.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	0.4
61.01942	0.3
64.27414	0.3
66.01006	0.3
66.75921	0.3
74.32619	0.3
75.00900	0.6
85.00441	0.8
86.48142	0.3
101.92950	0.3
103.00365	2.2
103.01496	65.8
105.47959	0.3
108.35551	0.3
209.11778	0.8
235.12996	0.3
247.84682	0.3
257.56403	0.3
277.21793	0.7
291.06006	0.3
291.73825	0.4
300.85077	0.3
306.07944	0.3
431.70248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01868	0.3
59.01376	100.0
75.00878	0.7
79.37946	0.3
85.00437	1.5
91.42970	0.4
98.21814	0.9
102.95674	0.6
103.00368	3.2
103.01492	62.2
103.90499	0.3
104.46156	0.3
193.71539	0.3
229.07869	0.4
277.21530	0.5
313.27432	0.4
552.64734	0.4
617.90753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98819	2.1
62.13612	0.9
71.01404	0.8
78.95900	63.9
80.96508	4.1
83.24481	1.0
88.70895	1.3
92.92794	4.5
93.31488	0.9
96.96958	14.2
108.56374	1.0
116.97232	2.8
121.25632	0.9
126.82773	0.9
146.58890	1.0
152.99597	22.6
174.06853	0.9
197.83347	1.1
223.00137	7.2
241.01180	30.2
242.56421	1.1
255.23273	56.3
256.23618	2.7
259.02148	3.2
277.21704	36.2
297.03802	2.4
315.04831	1.5
391.22546	5.7
413.20847	1.6
553.27863	4.5
831.50220	100.0
832.50623	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	832.982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	47.2
61.92703	0.4
85.20477	0.4
103.71351	0.4
132.98178	1.3
174.99234	28.1
175.99597	0.5
193.30983	0.5
199.31253	0.4
199.98903	0.5
201.02505	2.8
217.00282	100.0
218.00648	2.1
224.78044	0.4
242.48003	0.4
302.55383	0.4
359.01434	5.8
374.99194	56.9
375.99472	1.9
376.16028	0.4
387.26733	0.5
446.07858	0.6
517.00537	2.7
532.98096	30.0
533.98260	0.9
599.35657	0.5
674.99286	0.9
690.97076	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	834.413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01385	0.2
78.91888	0.1
78.95947	0.1
82.00013	0.1
96.96043	0.2
103.60037	0.1
142.02960	0.1
142.12088	0.1
143.75145	0.1
151.61206	0.1
195.55608	0.2
209.11888	0.4
255.23380	0.1
391.03171	0.2
435.95023	0.1
530.57501	0.1
628.08929	0.2
639.13062	0.2
786.36115	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	834.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81647	0.1
61.98828	100.0
70.74500	0.3
71.01405	0.2
78.91865	0.2
78.95933	0.2
81.11086	0.2
106.57581	0.1
122.76589	0.2
129.73726	0.1
138.46245	0.2
209.11914	0.2
307.12427	0.2
391.03259	0.2
423.68454	0.2
834.51874	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	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.3
59.01378	11.1
68.99811	0.2
69.03441	0.6
71.01378	7.5
71.05033	0.2
73.02942	1.4
75.00877	0.3
80.02663	1.4
81.03458	1.5
83.01376	1.0
83.05025	5.8
84.02164	1.0
85.02947	2.1
87.00883	1.6
89.02445	7.0
93.03461	0.2
95.01373	0.5
95.05021	0.7
96.96006	0.3
97.02944	1.2
98.87556	0.2
99.00887	0.5
99.04549	0.2
101.02438	5.6
108.61197	0.2
109.06589	0.4
113.02452	3.2
119.03516	1.9
125.02444	2.7
125.06081	0.6
125.09733	0.3
131.03482	0.5
135.08125	0.8
139.03989	0.3
143.03529	1.3
147.11688	0.2
161.04567	1.5
163.11288	4.5
165.12843	2.7
171.10225	0.8
179.05611	2.4
181.12334	0.6
183.10225	0.2
185.11812	0.2
191.10786	1.2
193.97636	0.1
199.06076	0.2
199.13390	0.5
203.05600	0.3
207.10132	0.2
209.11818	100.0
210.12149	2.8
217.07248	0.2
219.05005	0.2
221.06621	0.7
225.11226	0.2
227.12877	14.9
228.13263	0.5
235.08212	2.5
247.13393	0.7
251.12865	0.5
253.09221	0.5
263.07642	0.3
277.09003	0.1
287.07657	0.7
305.08768	0.8
320.18396	0.2
323.09848	0.7
379.07706	0.3
379.12405	3.0
397.13480	20.2
398.13849	0.6
415.14606	5.4
419.24365	0.2
589.25171	0.5
589.45227	0.2
607.26270	1.1
799.37482	0.7
817.38483	0.3
835.39856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.2
59.01377	10.6
69.03452	0.5
69.19692	0.8
70.54797	0.1
71.01380	7.3
71.05020	0.2
72.99293	0.2
73.02942	1.0
80.02674	1.4
81.03455	1.9
83.01392	1.1
83.05020	5.1
84.02159	0.9
84.46571	0.1
85.02946	1.5
87.00867	1.8
88.63956	0.1
89.02444	7.2
93.03455	0.3
95.01377	0.6
95.05058	0.8
95.60747	0.2
97.02975	0.9
97.06587	0.1
98.21902	0.3
99.00890	0.4
101.02443	5.4
108.45954	0.1
109.06559	0.2
111.04539	0.2
111.08180	0.2
113.02452	3.0
115.04010	0.2
119.03498	1.8
121.02971	0.1
125.02449	2.7
125.06087	0.7
125.09718	0.4
129.23557	0.1
131.03459	0.4
135.08171	0.7
139.03958	0.3
143.03482	1.1
145.04956	0.1
147.11797	0.3
149.04587	0.2
161.04562	1.5
163.11279	4.4
164.11548	0.2
165.12836	2.7
171.10278	0.5
179.05597	1.9
181.12289	0.6
186.85925	0.1
191.10788	1.2
199.06119	0.3
199.13336	0.4
207.10394	0.2
209.11816	100.0
210.12160	1.3
221.06697	0.8
227.12880	14.7
235.08217	2.2
247.13379	0.5
251.12909	0.6
253.09254	0.3
263.07605	0.4
265.14426	0.2
287.07684	0.7
305.08752	0.8
323.09842	0.5
360.15588	0.2
379.12427	2.6
397.13474	19.6
398.13675	0.4
411.15750	0.1
415.14545	5.8
416.14908	0.2
419.24606	0.2
497.20978	0.2
527.38116	0.2
572.83643	0.2
577.45428	0.2
589.24994	0.5
607.25952	1.3
773.36609	0.2
799.37463	0.6
817.38531	0.2
835.39978	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	836.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98828	100.0
71.01373	0.8
83.32052	0.2
89.02402	0.3
96.96004	0.3
114.93477	0.3
116.26626	0.2
125.02489	0.3
171.41872	0.3
209.11899	1.0
211.13361	0.3
227.13048	0.5
262.18982	0.3
364.63583	0.3
371.38959	0.3
515.03418	0.3
631.75647	0.3
691.24982	0.3
836.34680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
67.01899	0.5
67.58093	0.5
69.03442	1.1
70.01800	0.5
70.02119	1.0
71.01374	2.1
75.63361	0.5
79.01895	0.7
81.03449	1.3
83.01386	0.7
85.02962	2.7
95.01398	0.6
97.02953	1.3
98.21950	0.7
101.02444	1.9
107.01402	4.8
110.25354	0.5
110.87027	0.5
113.02451	5.2
123.00883	4.7
124.01654	1.7
124.37958	0.4
125.02446	55.8
126.02801	0.6
139.00386	0.7
140.01155	0.6
141.01959	0.9
143.03468	0.4
151.00349	3.9
161.02454	0.8
167.03481	0.5
168.00647	1.8
169.01424	83.2
170.01729	1.4
173.02534	0.5
179.03485	0.7
185.02446	0.5
191.05643	1.1
193.01430	1.1
211.02472	3.1
223.02585	0.7
271.04596	1.1
275.01907	2.0
300.99927	6.0
313.05627	7.8
331.02884	0.9
331.06671	10.8
332.06979	0.7
376.70850	0.5
481.06354	2.1
483.07791	100.0
484.08014	6.5
513.09290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.9
61.98808	2.8
69.03449	3.4
71.01370	10.9
73.02935	2.8
78.96739	2.4
83.56036	2.3
85.00410	3.4
85.02908	2.9
89.02452	5.9
96.96011	42.6
97.02934	3.4
98.95587	2.7
101.02453	7.5
103.75059	2.6
109.06604	2.4
111.08164	15.6
113.02427	5.4
116.92851	2.9
125.09721	5.9
163.11288	3.6
167.10805	3.4
171.10280	4.1
179.10712	2.5
185.11823	4.2
191.14433	3.9
195.13896	12.5
197.11809	29.4
201.11276	3.0
209.11859	12.3
211.13390	5.9
223.13301	6.3
227.12891	3.5
235.08192	5.9
245.19095	8.3
247.20677	3.1
249.14764	2.6
253.09276	25.9
263.20004	4.2
274.57782	2.7
275.20203	3.6
289.18091	32.0
291.19611	100.0
292.19928	8.4
293.21207	61.5
301.07074	3.2
307.19183	27.9
309.20682	42.2
837.32928	3.2
861.58081	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	839.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.4
59.95690	0.7
65.00325	1.0
70.51635	0.7
70.51966	0.9
71.01379	7.0
71.68786	0.5
73.02957	1.7
75.78540	0.6
79.11182	0.6
79.53732	0.6
83.01383	0.8
85.02947	1.4
89.02438	5.9
98.22535	0.6
101.02452	2.6
107.01405	2.7
109.02968	2.0
113.02445	3.2
119.03517	2.1
121.02988	2.7
125.02448	1.4
131.03465	0.6
143.03503	0.7
148.01662	1.2
151.00366	11.1
157.22102	0.5
163.00398	3.1
163.11322	2.3
169.01465	1.1
178.99840	6.2
179.01045	0.6
181.12338	18.6
207.10109	0.7
211.03987	1.7
225.11310	48.9
226.11581	1.1
227.03500	2.2
229.04971	0.7
243.03023	5.2
245.04556	1.7
254.02159	1.5
255.02959	18.2
255.22713	0.6
256.03568	0.9
271.02478	38.1
272.03003	2.4
273.03931	1.1
283.02524	1.3
299.01797	1.1
300.02734	73.4
301.03503	61.9
302.03833	2.2
321.08737	0.7
342.08160	0.7
405.17651	100.0
406.18323	4.0
433.07745	97.8
434.08060	3.9
578.06702	0.7
705.65668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	13.0
61.98831	31.1
71.01380	7.9
78.95866	5.1
80.91675	14.7
82.95411	33.1
85.00439	26.4
89.02449	6.2
96.96007	11.3
107.08688	4.4
117.09095	5.4
121.42136	4.9
171.10193	8.6
197.11719	10.1
209.11815	100.0
210.12227	5.8
211.13336	6.2
225.11325	17.7
227.12906	26.6
233.87379	4.5
248.54404	5.1
253.09242	15.6
289.18124	26.0
291.19684	5.7
307.19003	23.7
309.20602	21.3
508.05966	6.0
839.41010	14.7
869.68152	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	839.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	38.5
61.98829	38.8
70.16525	31.0
75.79684	12.6
94.70675	14.2
96.96017	20.4
103.01522	25.6
104.45942	15.4
116.92843	27.9
125.02129	12.0
134.99556	16.1
231.16431	15.0
253.09290	27.3
291.19708	100.0
293.21255	69.6
304.36230	17.5
313.86978	17.6
358.29645	16.5
377.00061	17.0
527.28485	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	843.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34650	0.3
63.28215	0.4
66.58025	0.4
69.59885	1.6
77.59003	0.4
95.01395	2.9
98.21913	0.8
108.02155	0.5
109.02960	0.8
111.00916	0.4
113.35751	0.4
114.27821	0.4
123.00875	4.0
125.02439	1.2
133.35411	0.4
139.00340	1.0
141.01866	0.5
145.02945	0.4
147.04460	0.4
149.97072	0.4
151.00316	0.6
159.00897	0.8
166.99829	1.7
169.01416	1.9
171.00870	0.7
173.02464	0.9
185.02461	0.7
187.00339	2.0
193.98708	0.5
199.00368	1.0
200.01129	0.5
201.01967	0.9
209.08542	0.4
213.01886	0.5
214.99818	4.2
216.00529	0.7
219.43080	0.5
228.00575	0.6
229.01413	2.5
242.99333	11.4
243.99873	1.1
245.01006	0.6
257.00891	2.2
270.98837	46.0
271.65543	0.4
271.99301	1.7
273.00409	0.6
275.02039	0.5
283.99710	0.6
289.07214	0.5
298.98325	100.0
299.98962	13.7
300.99866	15.2
302.00357	0.7
419.06143	3.1
421.07755	7.4
423.09317	2.9
571.07251	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	846.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67282	1.0
69.03452	2.9
69.24936	5.7
81.03451	0.9
81.42906	1.1
95.01379	9.5
96.68372	1.1
97.02944	2.1
98.21807	1.2
101.02470	2.0
107.01397	3.9
111.00877	1.0
120.68359	0.9
121.99301	1.0
123.00884	25.4
124.01666	8.7
125.02450	56.7
131.05020	1.2
137.02440	1.8
137.93372	1.0
139.00406	2.0
139.03937	0.9
140.01137	2.5
141.01909	1.2
145.02968	1.3
149.02393	1.4
152.01204	1.6
158.76901	0.8
159.04535	2.6
160.01672	1.4
161.02458	2.1
162.03194	1.0
164.01131	1.3
165.01891	1.4
166.99823	7.7
167.03450	1.0
168.00661	5.9
169.01418	53.2
170.01730	1.5
175.03989	2.1
177.01875	1.8
183.02989	2.4
183.04561	0.9
187.03969	3.1
188.04730	1.0
189.01811	1.5
190.02701	2.6
191.03484	1.4
192.00644	9.1
193.01373	9.5
199.04022	1.2
203.03461	1.7
204.04274	1.2
206.02205	2.5
207.02957	6.4
211.02509	4.4
215.03468	2.8
217.01318	2.0
218.02187	2.1
219.02869	2.7
231.02969	9.2
232.03740	4.4
233.04568	3.2
234.01669	4.4
235.02437	5.2
246.01720	3.0
247.02545	2.4
249.04051	1.6
257.04449	1.5
258.01566	2.1
259.02444	6.3
260.03241	18.3
260.05786	1.6
261.03979	7.4
275.05566	2.7
276.02747	17.3
277.03342	2.1
278.04193	1.0
291.05011	8.8
294.04044	1.1
295.04660	1.1
297.04108	1.3
309.05905	1.0
327.07465	1.2
371.10489	0.9
376.65265	1.0
428.03925	3.9
430.04922	1.4
443.06137	4.2
444.06396	1.2
445.07770	2.1
455.96194	1.1
479.08130	3.0
613.08435	4.5
631.09546	9.6
783.10498	100.0
784.11188	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	847.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40636	0.5
63.14158	0.5
69.23279	3.2
74.18055	0.5
85.02921	1.6
93.03488	1.0
98.21928	1.1
107.01376	2.0
111.00978	0.6
123.00868	1.3
124.01657	3.3
125.02451	4.6
137.02502	0.9
139.00383	0.9
149.02437	2.5
151.00403	0.9
151.04013	0.9
152.01143	0.6
160.26126	0.5
161.02420	0.9
162.03241	0.7
164.01144	2.0
165.01976	3.3
166.02771	0.7
167.00023	0.6
168.00642	2.4
169.01408	4.5
183.03008	0.8
190.02708	1.3
191.05595	15.4
192.00652	24.0
193.01405	37.8
194.02148	3.3
205.01413	1.1
206.02126	1.1
207.02975	8.4
211.02470	7.1
221.01027	0.9
221.31009	0.7
222.01668	1.5
223.02214	0.6
234.01743	3.6
235.02419	4.0
243.51363	0.6
249.04044	1.8
271.04584	2.1
295.04514	0.7
312.04977	3.0
313.05530	2.8
327.07062	1.3
339.37698	0.6
367.10196	2.5
430.87955	0.6
454.56995	0.6
464.05823	0.8
479.08289	100.0
480.08630	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	847.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.4
61.28004	0.5
66.13137	0.6
69.03441	0.8
73.02924	0.6
74.66992	0.5
81.03452	1.8
83.01392	1.4
89.02511	0.6
95.01398	0.8
95.05029	1.0
97.02956	3.6
107.01398	1.4
109.02958	7.9
121.02963	1.3
123.00893	1.9
123.04510	3.9
124.01678	3.0
125.02446	63.6
126.02803	1.1
128.97714	0.5
132.70621	0.5
135.04533	0.6
137.02440	6.3
138.52249	0.5
139.04004	1.4
139.10478	0.5
139.11320	6.0
139.27193	0.6
145.02977	2.2
149.02408	1.8
150.03197	0.6
151.03995	4.0
159.04514	1.7
160.05336	0.7
161.02449	0.6
161.06104	1.8
162.03236	0.7
164.01210	1.0
165.01935	2.3
166.99832	1.1
167.03535	0.6
168.00722	1.3
169.01422	100.0
170.01794	2.5
171.44633	0.5
175.04105	0.7
175.07594	0.8
179.03497	2.3
181.12335	3.3
183.04684	0.6
183.10262	8.7
185.06146	0.8
187.03999	1.9
188.04749	1.0
193.01411	3.2
199.13359	1.7
201.05478	0.7
203.07140	4.3
205.05006	2.5
205.85672	0.6
209.05922	0.7
212.04947	0.5
212.25250	0.5
221.08163	1.2
222.51932	0.5
225.11369	3.8
227.07141	1.4
243.12357	47.9
244.12755	1.2
245.08163	9.2
247.06097	0.5
253.04970	1.0
257.13828	0.6
271.06064	4.7
285.13449	1.9
289.07178	39.0
290.07504	1.9
303.05075	2.2
331.04587	1.4
343.21014	0.6
405.17661	26.5
406.18018	1.3
418.49573	0.5
424.52676	0.6
441.08261	67.0
442.08810	5.3
769.52814	0.6
847.37830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
68.49803	0.7
71.01376	3.3
77.01666	0.8
85.02934	0.8
85.18662	0.7
88.27658	0.8
89.02444	2.1
98.22690	1.3
101.02439	1.6
101.04567	0.7
103.85536	0.9
113.02404	1.1
161.04587	1.5
162.70505	0.7
167.16130	0.9
179.14424	1.1
195.13890	8.4
196.14525	0.8
204.92349	0.9
211.13458	1.0
223.13419	5.4
231.21086	0.9
253.09283	18.1
256.13043	1.6
275.20126	4.6
293.21222	100.0
294.21481	5.2
362.97910	0.8
382.60712	0.8
404.57901	0.8
492.22144	0.9
529.30133	3.1
548.87109	0.7
569.41986	1.9
583.68188	0.8
704.38727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.6
61.98831	1.2
68.04239	1.0
71.01369	14.9
71.73373	0.9
72.99293	2.5
75.00888	5.7
83.01365	1.5
83.05022	1.7
85.02943	2.8
87.00875	30.1
87.39833	0.9
89.02448	1.3
96.95969	1.1
97.02954	0.9
99.00842	1.4
101.02459	2.5
109.02926	1.4
111.00916	1.1
113.02415	2.4
115.00369	47.8
123.04510	1.1
127.00366	2.2
130.25166	0.9
139.03951	0.9
169.01477	1.3
171.10280	7.9
175.02466	100.0
176.02835	1.7
185.11766	1.0
197.11833	2.6
209.11812	19.1
225.11217	1.2
227.12804	1.5
235.94232	1.0
241.14293	1.6
253.09415	1.3
267.12332	1.0
276.33078	1.1
285.13477	1.7
521.23041	1.1
581.13562	1.1
713.34070	1.6
731.34778	5.8
745.38135	1.1
771.34863	1.4
849.37567	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	849.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.0
63.76396	1.6
64.52000	1.5
65.61147	1.4
69.03445	7.0
70.99802	2.2
71.01380	22.8
71.05016	2.4
72.99303	6.4
73.02927	3.5
75.00871	20.5
80.02656	1.7
81.03454	4.3
83.01372	2.4
83.05028	9.3
84.02168	2.0
85.02953	7.2
87.00885	18.0
88.22713	1.2
89.02442	7.5
90.91420	1.2
95.01373	1.6
97.02985	1.9
99.00891	2.7
101.02439	8.6
109.02926	3.2
113.02472	6.9
115.00381	32.4
119.03543	1.7
123.08152	1.5
125.02438	3.6
125.06136	1.8
135.02991	2.4
143.03452	1.5
147.72688	1.4
151.11276	1.7
161.09689	4.4
163.11278	6.0
169.12329	2.6
171.10268	21.8
175.00928	3.1
175.02472	62.8
176.02832	2.1
179.10774	5.0
185.11861	1.9
191.10791	2.9
195.13876	3.4
197.11821	45.4
198.12097	2.1
209.11829	100.0
210.12167	4.5
211.13551	2.0
221.11812	2.7
225.11415	1.9
227.12885	10.3
239.12822	3.8
241.10800	4.1
253.09216	4.7
262.13248	1.9
267.12305	1.9
285.13336	9.0
311.29309	1.4
317.84106	1.4
396.85822	1.6
409.93967	1.7
445.20901	1.9
465.35645	1.9
521.22314	3.1
585.14551	1.5
713.33771	5.3
714.33966	1.7
727.32947	2.1
729.33282	6.2
731.34869	27.0
732.35364	5.2
771.34473	11.8
772.33435	1.9
789.35767	3.3
831.35754	1.6
849.37579	79.5
850.38055	16.7
850.60211	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	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.55886	0.2
70.59191	0.3
70.63770	0.4
71.01385	0.5
73.14905	0.2
82.73661	0.2
85.81741	0.2
88.98804	0.3
92.92778	0.5
94.92521	0.5
96.96041	0.3
97.14676	0.3
150.98395	0.2
209.11909	0.6
210.12410	0.2
251.68481	0.2
257.39044	0.3
372.83450	0.2
508.40317	0.2
512.33722	0.3
807.12067	0.3
820.12244	0.3
831.85602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
66.17044	0.7
69.76843	2.2
71.01381	1.4
73.02888	0.7
82.40914	0.6
85.02931	5.0
93.03452	1.9
95.01369	0.8
107.01379	2.5
109.02948	1.5
110.48402	0.7
111.00867	1.0
119.05039	3.2
121.05985	0.7
123.00885	1.9
124.01670	7.2
125.02442	13.9
127.04000	1.6
133.02936	0.9
136.01640	1.2
137.02423	2.0
138.03226	5.6
139.04030	1.3
145.14040	0.8
152.01154	4.6
153.01846	1.0
154.10365	0.7
160.56607	0.8
161.02412	2.6
163.04022	2.0
166.02754	3.5
166.99956	1.4
167.03401	1.1
168.00661	3.6
169.01424	20.1
170.01746	0.8
170.57213	0.8
173.04485	1.2
178.02730	1.9
179.03394	0.8
180.00639	14.8
181.05003	1.3
182.02280	0.9
182.80067	0.9
183.02979	3.6
191.05611	85.7
192.00616	1.2
192.05940	2.0
193.01405	2.2
194.02249	1.3
194.99298	7.6
195.00864	0.8
195.02980	5.1
196.03735	2.8
196.05373	0.8
205.01263	1.5
206.02249	0.9
209.00931	1.1
210.01767	1.8
211.02464	6.8
222.01595	1.2
225.04074	5.3
234.01672	2.5
237.04056	3.2
241.03516	3.9
249.04056	2.2
255.05144	4.0
271.04669	5.5
300.99887	1.6
301.05679	1.6
312.04807	2.4
313.05515	1.2
327.07181	3.3
330.05853	4.6
331.06717	1.1
333.45438	0.9
345.08246	29.2
346.08499	1.4
353.08810	14.0
354.09143	1.0
423.59399	0.8
437.07397	0.9
471.14929	2.1
479.08475	1.0
497.09360	100.0
498.09790	5.9
499.09958	0.9
568.46393	0.8
605.34113	0.8
675.26593	0.8
771.89526	0.8
796.01849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.4
61.98797	1.0
66.51694	0.6
66.92935	0.6
68.99819	1.0
69.03450	2.0
70.18548	1.2
71.01381	75.3
72.99299	1.3
73.02950	6.4
75.00906	0.7
80.02675	1.6
81.03452	3.1
83.01368	2.5
83.05023	7.7
84.02146	1.5
85.02948	5.4
87.00887	5.1
89.01931	1.2
89.02444	15.6
93.03455	1.4
95.01379	1.6
95.05024	2.6
97.02947	6.1
97.06544	0.9
99.00870	1.9
99.04520	0.7
101.02441	14.3
107.05011	0.8
109.06586	7.5
110.03736	1.5
111.08183	0.9
113.02452	7.9
115.00305	1.1
119.03508	4.5
125.02438	5.3
125.09680	1.9
127.11280	1.9
135.08163	1.6
139.07646	1.8
143.03470	3.4
151.11218	0.8
155.10802	1.8
161.04558	4.0
161.09708	1.3
163.11298	11.4
165.12848	2.4
171.10263	29.5
175.02428	1.4
179.05588	4.3
179.10744	1.3
181.12355	3.2
185.04588	0.9
185.11801	2.4
189.09193	1.4
191.10733	1.0
197.11829	2.2
199.09848	1.1
201.11322	18.7
207.10255	22.9
208.10614	1.2
209.11823	100.0
210.12135	3.2
211.13316	1.2
215.12900	1.6
221.06664	2.3
225.11314	32.6
226.11584	0.8
227.12883	15.1
235.08170	4.1
243.12421	4.2
251.12895	2.1
253.09259	2.1
273.08896	0.9
287.07858	1.1
305.08575	1.7
323.09882	1.6
379.12476	4.6
397.13495	30.4
398.13416	0.9
399.21588	1.3
407.24634	1.1
415.14581	10.6
417.22754	1.8
439.14761	1.1
445.22107	0.7
457.15811	1.0
551.22803	0.9
569.24310	1.3
589.24902	0.9
605.24390	2.6
607.26044	1.4
623.25391	4.7
673.53247	0.9
797.36084	1.1
815.37000	4.0
816.37946	0.9
833.37970	6.0
834.38647	1.5
851.17444	0.7
851.39032	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	853.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	0.7
65.00314	1.2
69.04524	0.4
69.19366	0.7
69.19773	1.4
70.09131	0.3
71.01380	4.1
73.02946	0.9
83.01383	1.2
85.02943	0.9
89.02448	3.4
95.01358	0.4
101.02475	1.6
107.01383	2.4
108.02159	0.9
109.02981	1.8
113.02451	1.5
119.03510	1.0
121.02972	2.7
132.70660	0.4
135.00835	0.5
136.32462	0.3
139.11212	0.3
148.01613	0.7
151.00368	11.1
163.00374	2.9
163.11279	1.4
164.01132	0.7
178.99849	5.7
179.05505	0.4
181.12335	12.3
187.04027	0.6
201.05522	0.4
207.10286	0.4
209.74138	0.3
211.03986	1.4
225.11316	28.4
226.02620	0.6
226.11639	0.6
227.03477	1.5
228.04381	0.4
229.01352	0.4
229.05064	1.2
239.03641	0.5
243.02956	5.4
243.12469	0.4
245.04523	1.5
254.02203	1.3
255.02962	16.4
255.11475	0.4
256.03528	0.8
271.02466	33.6
272.02908	1.7
273.04025	1.2
275.10278	0.4
283.02472	1.6
283.10968	0.7
299.01956	0.6
300.02734	68.9
301.03506	50.0
302.03778	1.9
311.10327	1.2
405.17639	59.6
406.17972	2.3
447.09299	100.0
448.09607	4.8
497.17593	0.5
599.21027	0.4
760.27686	0.4
775.91968	0.4
803.27533	0.6
821.29089	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	853.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07965	0.4
64.94922	0.3
65.60559	0.3
68.99805	0.5
70.80342	0.3
71.01381	2.2
73.02928	0.5
83.01415	0.8
85.02942	1.5
85.17691	0.3
87.00835	0.4
95.01374	0.6
101.02433	1.1
106.07686	0.4
107.01379	5.7
108.02167	5.0
109.02951	10.2
111.00850	0.9
113.02447	0.5
123.00887	3.9
124.01655	10.0
125.02419	1.3
127.00368	0.7
136.98785	0.9
137.02403	0.5
138.03224	1.5
139.00365	2.0
139.04016	9.0
140.01146	1.3
141.01971	0.7
143.82285	0.3
163.26773	0.4
165.01900	0.6
166.99873	1.6
168.00632	11.6
169.01410	3.3
181.01498	0.4
182.02127	0.5
183.02980	33.8
184.03392	0.5
210.01608	0.4
211.02448	0.7
225.04068	0.9
255.05092	0.4
297.06143	1.4
312.04773	1.8
313.05386	0.6
327.07190	10.0
422.08481	2.9
437.10846	100.0
438.11060	2.9
447.40457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48992	0.7
61.64466	0.8
61.98818	2.2
65.02986	0.7
65.34811	1.0
69.03429	0.8
69.48318	1.5
69.48720	2.5
71.01379	8.8
73.02944	2.6
81.03447	1.0
83.01391	1.2
83.05025	4.4
85.02935	3.1
87.00864	2.6
89.02446	8.2
95.05027	0.8
97.02929	1.8
101.02448	6.8
113.02434	3.6
115.00359	1.3
119.03493	3.4
125.02432	2.6
125.09663	2.2
127.11230	1.1
143.03444	1.0
155.10754	1.7
161.04585	1.8
163.11279	2.8
165.12839	2.8
169.01300	1.0
169.53281	1.0
171.10201	2.0
175.02477	2.2
179.05563	3.3
191.10884	0.9
201.11304	36.1
201.52119	1.0
209.11815	100.0
210.12138	2.8
211.91513	0.8
221.06497	0.9
225.11247	0.9
227.12862	15.0
235.08228	3.5
267.05255	0.8
287.07889	1.6
305.08600	0.9
320.26886	0.9
379.12338	3.5
397.13501	25.7
397.18784	1.4
398.13879	2.3
415.14658	5.9
428.31137	0.8
493.35803	1.1
581.24115	1.6
589.24927	1.1
599.25525	1.6
607.26178	4.1
703.31128	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	857.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	8.0
71.21367	5.0
79.40585	4.0
82.98987	3.9
85.89161	3.9
87.75066	4.1
96.95992	7.4
99.92584	12.8
103.01511	4.6
116.92073	6.8
116.92861	100.0
117.92841	5.6
121.26961	4.5
130.82932	4.0
253.09204	10.9
291.19751	4.9
293.21207	23.3
309.20602	8.9
334.76620	4.2
587.52972	4.4
823.96814	5.0
857.48120	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	857.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	9.8
66.55696	3.5
68.44772	3.9
78.95913	3.7
85.00449	3.7
91.19921	3.4
96.96011	11.0
99.26636	3.3
99.92574	11.6
116.92870	100.0
116.97177	4.2
256.80814	3.2
291.19510	6.9
293.21127	13.5
309.20715	13.7
356.48956	3.8
857.47913	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	859.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74112	1.6
63.86958	1.5
67.03074	1.5
68.44641	1.6
69.23309	4.9
69.23712	3.8
70.73050	1.4
71.01383	40.2
81.07050	1.6
83.01395	2.4
85.02946	7.1
87.00858	1.9
88.38541	1.3
89.02441	48.5
95.01363	2.6
98.21792	3.3
99.04521	7.3
101.02447	20.9
109.30418	1.6
111.69006	1.6
113.02452	15.7
119.03500	21.2
125.02435	2.8
131.03523	3.0
143.03471	5.5
161.04539	5.3
161.13365	15.3
169.01433	2.8
179.05612	27.2
185.24905	1.5
187.11305	2.9
205.12318	43.2
249.11302	79.4
299.99057	3.5
300.99640	1.8
385.18521	8.8
429.17639	100.0
535.31329	2.7
626.91144	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	861.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93880	0.8
65.00297	1.1
67.01891	2.5
67.58316	0.7
70.85241	0.7
71.01385	0.9
71.43994	0.9
85.02942	1.0
87.98418	0.8
94.86124	0.8
95.01417	5.5
105.03468	0.8
106.59759	0.8
107.01358	1.2
108.01640	0.7
108.02199	7.0
109.02950	5.3
111.00885	1.6
113.02469	0.7
117.03439	3.1
119.04994	1.2
121.02934	1.9
123.00840	2.9
123.04611	0.9
123.13353	0.9
124.01717	0.9
125.02441	2.4
125.97974	0.8
133.02954	2.2
139.00386	9.3
145.02965	8.3
147.04501	1.8
149.02475	1.1
151.00346	3.0
157.02977	1.6
159.04451	1.0
161.02440	6.4
162.03165	0.9
163.04044	5.3
169.01399	2.7
173.02390	6.7
175.03931	3.0
177.01945	2.0
185.02338	1.3
189.01964	14.3
190.02646	2.9
191.03488	8.0
193.01396	3.4
193.98547	3.6
201.01912	7.2
203.03493	1.4
205.01279	1.7
217.01408	34.9
218.02051	1.7
219.02995	3.8
228.00739	1.0
229.01418	9.3
235.02458	1.2
239.01465	0.8
242.99367	2.7
245.00891	50.8
246.01459	3.1
247.02470	6.0
257.00943	1.2
261.00214	1.1
270.98807	7.8
273.00400	100.0
274.00946	5.5
298.98331	16.6
299.98959	2.3
300.99823	3.5
316.99533	1.0
359.50616	1.0
393.08289	2.5
421.07452	2.4
423.09384	9.0
437.07114	6.3
477.06671	5.0
489.10074	1.9
501.10324	1.9
517.09930	4.8
527.08105	2.3
545.09344	99.1
546.09784	7.2
571.06128	1.1
589.08575	2.6
754.55499	0.9
790.19830	0.9
817.18182	2.9
820.07880	0.9
820.23669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.8
69.03459	1.1
69.93411	2.0
71.00430	0.8
71.01378	9.6
73.02938	1.4
73.36295	0.7
85.02953	1.5
87.00892	2.1
87.44251	0.7
88.98834	1.7
89.02441	7.4
95.01431	0.8
95.76422	0.7
96.96016	0.8
97.02923	0.9
101.02445	6.8
104.80084	0.7
113.02433	4.8
119.03487	2.4
125.02474	3.9
127.97704	0.7
143.03523	1.1
159.07346	0.7
161.04553	1.3
167.14365	0.8
179.05617	2.5
183.13878	7.5
193.12207	1.3
207.18086	0.7
211.13391	100.0
212.13742	2.8
221.06615	1.0
235.08226	3.0
263.95978	0.8
269.06754	0.8
287.08002	0.9
305.08783	1.0
323.09885	1.0
379.12268	5.0
397.13486	19.9
397.18704	1.3
398.13559	0.8
415.14459	3.4
432.52725	0.8
437.75089	0.7
518.13898	0.7
553.25049	0.7
584.76733	0.9
591.26495	9.7
609.27655	9.3
645.49677	0.9
659.87323	0.7
785.39697	2.2
803.40710	1.7
805.14911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
71.01383	12.3
73.02944	3.0
75.00822	0.6
80.02675	0.7
81.03458	1.7
83.01377	1.6
83.05019	4.0
85.02925	3.5
87.00881	4.1
89.02441	14.2
95.01382	1.0
95.05032	0.6
96.99317	1.2
97.02946	2.6
97.03503	0.5
101.02445	13.3
106.57027	0.5
113.02448	7.2
115.31110	0.6
119.03494	4.8
125.02444	5.8
127.04029	0.7
131.03481	0.8
133.05023	0.6
135.08179	0.5
135.32602	0.5
139.03967	0.8
140.98232	0.6
141.01686	2.3
143.03519	3.2
161.04515	3.2
163.11281	3.6
165.12859	2.6
179.05603	3.4
191.10674	0.9
199.06126	0.9
209.11816	100.0
210.12190	3.7
211.27660	0.6
217.07228	0.7
221.06651	1.2
227.12859	14.0
228.13242	0.7
228.94414	0.5
235.08231	5.4
253.09427	0.8
255.23274	52.5
256.23697	2.4
259.08200	1.0
269.24799	1.0
287.07758	2.0
293.21161	1.3
305.08807	1.7
323.09717	0.9
361.11676	0.6
379.12445	10.1
397.13474	41.9
398.13803	1.3
415.14487	9.3
503.50296	0.5
518.86871	0.5
589.25134	1.1
607.26416	1.2
635.35950	0.6
653.37714	1.7
795.52570	0.6
820.34967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56911	0.4
65.00308	0.5
67.01876	0.6
69.03432	0.6
69.88319	1.3
69.88667	0.9
71.01392	1.1
74.08785	0.4
81.03497	0.6
82.00618	0.4
83.71169	0.5
85.02937	0.6
87.00852	0.6
93.03443	1.6
95.01379	1.1
95.54980	0.5
97.02969	0.6
98.22469	0.8
107.01398	5.9
109.02966	1.1
111.00902	0.9
113.02451	1.1
118.32216	0.5
123.00873	6.2
123.94134	0.4
124.01663	5.3
125.02451	20.2
126.02705	0.6
127.00425	0.8
127.56492	0.5
137.02422	0.7
138.03217	1.7
139.00360	1.4
139.03996	5.7
141.01909	0.9
151.00345	2.6
153.01930	0.7
153.26825	0.5
161.02469	0.9
165.01944	0.8
166.02623	1.1
166.99869	4.7
167.03447	0.8
168.00620	7.7
169.01419	26.1
173.04640	0.9
179.03502	0.5
182.02187	3.7
183.02992	21.6
184.03369	0.5
191.05605	4.2
193.01410	2.1
210.01683	9.6
211.02477	6.7
225.04042	27.4
226.04347	0.8
255.05148	1.4
271.04556	1.7
285.06171	16.4
286.06546	0.6
287.94125	0.5
289.07135	0.7
300.99786	1.7
312.04987	0.5
313.05774	2.9
327.07172	1.7
367.10120	0.7
431.11569	0.5
497.09348	100.0
498.09616	7.1
562.02905	0.5
575.10785	0.7
688.40540	0.6
730.05444	0.5
798.27063	0.8
844.39862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.8
65.00314	1.3
76.60320	0.6
83.01374	0.8
98.21766	1.1
98.37469	0.5
107.01383	2.1
109.02928	1.5
119.25298	0.5
121.02960	1.5
138.81111	0.5
148.01707	0.7
148.61292	0.5
151.00363	8.9
159.04395	0.5
163.00389	2.5
178.99869	4.5
183.04488	0.9
201.05606	0.6
211.04094	0.8
217.04889	0.5
227.03391	1.7
243.02995	4.4
243.66733	0.6
245.04723	1.1
254.02260	0.8
255.02957	13.7
271.02478	24.9
272.03015	1.8
273.04059	0.8
283.02426	1.2
299.02087	0.6
300.02737	56.4
301.03510	42.9
302.03867	1.7
368.40753	0.6
447.09290	100.0
448.09619	3.8
617.94855	0.6
620.21411	0.5
636.30005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49069	1.6
69.39745	7.5
81.03471	2.9
93.03429	2.3
98.22616	2.9
119.04983	1.6
123.04503	8.4
125.02439	4.1
167.03485	23.9
169.01390	1.8
179.03516	2.2
189.05708	1.7
191.05618	1.4
199.07315	1.6
227.03468	27.6
228.03970	2.1
229.05026	3.4
255.02954	34.0
256.03763	3.4
257.04544	1.8
273.07675	42.8
284.03247	45.3
285.04025	42.6
297.01266	1.5
431.09802	100.0
432.10147	5.3
435.13028	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	867.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98850	0.6
71.01378	7.5
72.65349	0.3
72.99296	0.7
73.02940	1.2
75.00861	0.4
80.02676	1.4
81.00383	0.4
81.03429	2.1
83.01377	0.8
83.05029	5.2
84.02165	0.7
85.02943	1.9
87.00887	1.9
89.02444	7.3
95.01375	0.5
95.05031	1.1
97.02942	1.3
98.10600	0.4
99.00885	0.6
101.02444	5.2
105.38390	0.4
111.04483	0.4
113.02473	2.7
115.66967	0.4
119.03499	1.8
125.02473	2.3
125.06078	0.7
125.21870	0.4
129.01950	0.5
135.03070	0.4
135.08144	0.7
143.03467	1.3
161.04596	1.9
163.11305	4.4
165.12877	2.5
171.10297	0.4
175.02457	0.6
179.05624	2.6
181.12361	0.7
191.10773	0.8
209.11821	100.0
210.12175	2.8
217.07121	0.4
221.06822	0.6
227.12881	15.8
228.13261	0.7
235.08150	2.3
253.09282	0.5
287.07697	0.9
305.08566	1.0
323.09842	0.6
351.87439	0.3
364.82675	0.4
379.12390	4.2
397.13495	22.3
398.13831	1.5
415.14548	5.4
589.24969	1.6
607.25714	2.8
799.37347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.24974	0.2
83.95372	0.2
149.16280	0.2
211.13422	0.5
268.89154	0.2
277.21613	0.4
293.21341	0.2
294.21555	0.3
295.22476	0.3
311.22186	0.3
397.13889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78225	0.4
69.15703	0.4
71.01375	0.6
73.02943	0.5
96.31650	0.5
107.01360	1.4
108.02171	1.0
108.04645	0.5
108.25531	0.4
109.02961	1.2
113.02439	0.7
121.02949	0.9
125.02411	1.5
139.11290	6.4
148.01651	1.1
149.02448	0.5
151.00356	8.3
161.04579	0.5
163.00340	2.1
164.01137	0.8
168.74362	0.5
169.01393	1.2
178.99854	4.5
181.12343	4.2
183.10245	9.0
192.00600	0.5
199.04025	0.6
199.13388	1.7
211.03976	1.2
216.04190	0.6
225.11287	3.8
226.02687	1.0
227.03554	1.2
229.05031	0.5
243.02975	6.1
243.12352	59.3
244.12717	0.6
245.04532	0.8
245.55467	0.4
254.02173	1.3
255.02962	17.2
256.03448	0.6
271.02460	33.1
272.03113	1.9
273.03992	0.5
283.02588	0.9
285.13525	2.1
299.02069	1.0
300.02728	73.7
301.03488	32.0
302.03958	0.9
338.36319	0.5
345.15491	1.0
405.17633	33.2
406.18158	0.8
463.08804	100.0
464.09091	3.2
497.42123	0.4
604.52185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	11.3
71.01371	16.3
72.85336	5.3
78.95905	8.0
89.02444	7.8
98.21764	11.3
100.79781	4.9
101.02456	10.3
105.40837	4.6
113.02446	5.4
116.92877	14.0
121.90744	4.7
128.59441	4.1
130.68434	4.4
141.25925	4.9
151.11322	5.7
164.31715	4.5
169.12305	48.0
185.19925	4.8
277.21747	14.6
289.18140	6.5
342.40353	5.1
474.19583	5.5
475.62988	5.6
616.40051	5.4
871.46887	100.0
886.36157	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	873.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67184	3.0
74.21148	2.5
92.47101	2.5
94.23555	2.4
99.53336	2.6
146.22655	2.6
168.00662	3.3
169.01445	3.2
172.01660	5.1
183.02919	6.8
218.69785	2.7
228.00769	4.8
262.76358	3.0
270.98911	8.3
271.99371	3.7
283.99481	8.8
285.00421	9.8
289.07144	5.8
298.98236	16.1
299.99115	70.1
300.02582	3.6
300.99893	41.3
327.38098	2.8
370.15076	2.9
425.01474	100.0
455.09723	3.9
574.00275	3.2
591.55646	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	873.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	7.1
62.23360	3.2
93.45094	3.2
96.96011	6.7
99.92596	11.2
109.20959	3.3
109.24830	3.7
114.93395	4.3
116.92859	100.0
116.97296	4.8
117.92870	4.2
142.80798	3.2
171.31877	4.7
197.11855	5.8
241.31487	3.5
253.09319	5.1
291.19623	3.4
309.20715	31.7
373.26358	3.2
474.75482	3.7
483.57672	4.1
873.47711	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	879.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.6
67.01885	3.0
69.03437	3.0
69.19037	3.1
71.01379	2.6
72.57668	0.6
78.01110	0.6
79.01870	2.9
81.03463	2.4
82.81416	0.5
85.02954	1.0
87.00876	1.5
89.02488	0.7
95.01382	12.3
97.02936	4.2
101.02502	0.6
104.26928	0.5
107.01383	11.4
108.02151	2.6
109.02969	3.8
111.00888	3.4
113.02484	0.9
119.05080	0.7
121.02963	0.8
123.00884	39.8
124.01660	18.8
125.02444	95.9
126.02814	1.2
127.00362	1.0
131.05034	0.6
133.03043	0.6
136.98801	1.8
137.02405	0.8
139.00366	5.1
140.01155	4.4
141.01921	2.9
145.03015	1.1
147.04550	0.7
149.02478	1.0
151.00348	3.5
151.04047	1.1
153.01884	1.4
159.04501	1.7
161.02432	1.8
163.04024	1.1
165.01918	0.9
166.99860	13.1
168.00638	12.8
169.01421	100.0
170.01793	1.0
175.02530	0.9
175.04005	1.6
177.01930	1.6
177.05602	0.9
179.03476	1.5
181.01352	0.7
187.04076	1.3
188.04791	0.6
189.01949	0.6
189.05580	0.6
191.03490	1.7
193.01384	2.6
193.05029	0.6
195.81897	0.5
203.03496	1.2
205.01413	2.0
205.05049	1.1
207.03009	1.2
211.02484	1.9
215.03532	1.0
217.01389	0.6
217.04904	0.6
219.02985	1.0
221.00890	0.7
223.02458	0.6
231.02956	1.3
233.04579	1.4
237.04059	0.9
249.04051	0.9
249.11417	1.0
251.05321	0.7
259.02557	0.9
261.04062	0.9
263.05634	0.9
273.70630	0.6
277.03476	1.5
279.05142	1.9
295.04547	2.6
297.06201	1.7
300.02979	1.0
301.00049	0.8
301.03403	1.5
302.03729	1.0
313.05707	5.3
366.53766	0.6
387.07294	1.2
405.08301	2.4
423.09186	2.3
429.17654	1.6
430.18030	1.8
439.67532	0.6
447.09836	0.7
448.09897	1.0
465.06546	3.3
557.09351	2.4
575.10504	3.2
617.08160	1.7
683.25555	0.6
709.10364	7.7
727.11487	24.8
728.11499	1.2
769.08783	1.0
826.55768	0.5
851.10858	0.6
879.12567	66.5
880.12616	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	881.157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.8
69.03446	0.8
69.42004	1.2
69.42380	2.2
81.55041	0.7
83.01387	3.3
93.03454	0.9
95.01374	1.2
97.02934	2.1
107.01369	1.9
109.02955	13.1
117.03447	0.9
120.46487	0.7
121.02943	3.3
123.00916	1.6
123.04517	6.7
124.01638	0.9
125.02446	100.0
126.02762	1.3
131.05051	0.7
133.02930	4.5
135.04530	3.9
137.02437	12.0
139.04039	1.2
145.02948	5.6
146.03770	1.1
149.02470	4.2
151.00369	0.9
151.04012	8.0
159.04518	6.2
161.02449	24.9
161.06096	4.7
162.03000	1.4
163.00346	1.7
163.04033	3.9
164.01137	4.6
165.01952	4.3
169.01416	24.9
170.01755	0.9
173.06079	1.9
175.04033	5.5
177.01942	6.1
177.05501	1.0
179.03474	1.8
183.04472	2.9
185.06068	1.0
187.03967	4.8
189.01859	1.2
189.05676	1.2
193.01436	3.5
196.05222	1.1
197.06010	1.8
199.04028	3.2
199.07718	0.9
201.01891	1.0
201.05600	3.7
202.06361	0.9
203.03529	1.5
203.07133	3.7
205.01645	1.0
205.05031	4.5
211.04092	1.8
213.05553	2.0
215.03473	1.6
215.07085	1.0
217.05064	2.2
219.03026	1.4
225.05559	6.2
226.02409	0.8
227.03554	3.7
227.07083	1.6
228.04182	1.3
229.05049	3.9
231.03011	2.3
237.05595	1.4
239.03490	1.0
241.05089	2.3
243.02988	6.0
243.06694	1.8
245.04596	7.1
245.08252	4.1
247.06357	0.8
253.05002	2.1
255.02998	6.7
255.06918	0.8
256.03714	3.0
257.04504	4.8
265.05313	0.8
267.03036	2.1
269.04550	29.3
270.05020	2.1
271.06079	9.9
271.08728	1.1
273.04001	2.0
281.04529	4.2
283.02869	1.4
283.05969	1.5
285.04053	4.2
287.05600	14.4
288.05777	1.0
289.07159	24.9
297.04135	1.9
297.07458	1.2
299.05478	0.9
300.99927	1.4
303.04913	3.4
309.04208	0.9
309.07730	1.1
311.05643	1.7
313.03558	1.0
321.07813	2.0
339.08685	1.0
345.07419	0.9
363.08746	2.6
375.08051	0.9
381.09985	1.7
389.06473	3.4
391.08087	0.8
395.07724	2.1
407.07712	52.6
408.08038	2.9
408.48166	0.8
415.08292	1.5
419.07788	3.6
425.08514	1.7
431.07925	2.3
433.09332	6.4
437.09052	1.2
439.06808	1.6
441.08197	8.1
449.08688	2.3
451.10162	4.9
485.77145	0.8
541.11578	9.5
559.12842	22.3
560.13171	1.5
577.13867	7.0
603.11395	4.3
674.49548	1.0
711.13159	5.4
729.14581	22.3
730.14911	3.6
881.16046	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	881.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	16.1
69.13554	12.2
71.01383	24.2
72.99300	6.8
73.02954	2.3
74.58944	2.3
75.00870	29.4
79.26369	2.0
81.03457	3.9
83.05031	7.8
84.94346	2.0
85.02966	5.5
87.00871	19.5
88.98836	2.4
89.02452	5.2
97.02874	2.8
98.22675	4.1
99.00896	2.9
101.02438	9.9
105.29545	2.0
109.02908	4.1
111.96618	2.1
113.02464	3.2
115.00369	40.3
123.04521	2.9
123.79081	2.1
125.02438	5.2
125.09753	3.0
129.01917	5.0
135.03021	5.3
163.11230	4.7
165.12772	3.4
169.05054	3.7
169.12314	4.1
171.10272	19.2
175.00940	3.8
175.02475	70.3
195.13907	3.7
197.11842	26.5
209.11819	100.0
210.12218	3.9
220.68558	2.2
227.12880	10.9
239.12941	3.2
241.14450	2.6
253.09238	4.5
267.12265	2.4
285.13409	9.7
397.13507	8.9
503.21515	3.9
521.22095	4.8
690.18097	2.5
695.33307	3.4
713.34186	13.4
731.34918	36.6
732.35413	3.3
761.35950	6.7
803.37061	8.7
849.37311	8.9
881.40833	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	883.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25971	0.7
69.26374	1.1
71.01385	4.9
72.99291	0.3
85.02968	1.0
89.01939	0.4
89.02445	4.6
99.04520	2.9
101.02451	2.7
113.02473	1.8
119.03514	1.3
136.39738	0.3
151.00391	1.3
163.85820	0.3
165.12872	2.2
178.99863	0.4
189.12886	0.6
207.13919	4.8
209.09816	0.7
209.11836	14.7
225.14955	4.1
227.03314	0.3
243.03029	0.8
251.12927	3.0
253.24237	0.3
255.03008	2.7
269.13931	34.6
270.14352	0.8
271.02475	5.2
272.02856	0.5
300.02753	10.0
301.03549	5.6
433.07761	9.0
434.07892	0.4
449.20279	100.0
450.20514	2.9
450.74219	0.3
780.59497	0.3
872.17480	0.3
886.36652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51959	0.3
69.03436	0.4
69.16268	0.3
71.01381	2.4
74.74875	0.3
85.02943	1.9
89.02442	2.6
91.72131	0.3
95.01397	0.3
97.02973	0.4
101.02434	1.2
107.01403	2.6
108.02141	0.4
109.02954	1.3
111.00871	0.8
113.02451	0.8
119.03503	0.7
120.30493	0.3
123.00866	2.2
124.01657	7.9
125.02444	19.0
127.00359	0.4
129.05557	1.1
136.98824	0.8
139.00360	0.8
139.04051	0.4
140.01134	1.4
140.32881	0.3
141.01927	0.4
151.00375	2.2
165.01881	0.8
167.03499	1.0
168.00645	11.3
169.01419	28.2
170.01730	0.5
181.66295	0.3
183.03029	0.7
192.30174	0.3
193.01524	0.3
211.02470	46.0
212.02815	0.9
241.03520	1.8
271.04581	70.0
272.04977	1.7
313.05569	1.0
331.06680	15.9
332.07132	0.5
423.09348	10.0
461.12985	100.0
462.13254	4.4
855.91266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.3
71.01382	2.9
73.02933	1.2
83.01373	0.5
85.02957	1.7
87.00867	0.6
89.02442	0.4
95.01389	0.5
97.02969	0.4
101.02438	1.6
107.01391	0.7
108.02171	33.5
109.02959	9.6
113.02452	1.4
123.00871	1.2
124.01659	0.5
125.02432	2.6
133.02983	0.3
134.03752	0.4
135.04562	0.6
143.03528	0.4
147.36682	0.3
151.00343	0.9
151.04005	0.9
152.01151	72.0
153.01936	2.7
161.02571	0.3
161.04492	0.9
163.03999	3.5
169.01425	3.6
177.01918	1.0
179.03545	0.8
192.35728	0.3
207.02892	0.6
211.02504	0.4
237.03973	0.3
243.06555	0.3
263.33398	0.3
271.04526	0.9
297.06091	0.4
300.99933	0.9
313.05511	0.6
315.07150	1.1
423.09302	6.7
424.09573	0.5
461.12994	100.0
462.13235	3.3
680.61823	0.3
813.90277	0.4
849.90967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	3.5
68.27605	0.2
69.03439	1.1
71.01383	1.8
81.03480	0.6
83.05008	0.8
85.02947	4.0
86.38172	0.2
87.00867	5.2
91.17104	0.3
93.03454	25.6
94.03790	0.4
96.95994	0.5
99.00903	0.5
99.04466	0.6
104.30448	0.3
109.02932	0.9
111.04513	4.2
113.02438	0.6
114.52281	0.2
115.03931	0.3
117.03475	0.7
117.96207	0.2
123.00916	0.3
126.60732	0.2
127.04004	1.2
129.01987	0.5
134.02696	0.4
134.03729	8.4
134.04703	0.5
135.04031	0.3
137.02402	0.3
143.03499	0.6
149.06102	0.5
155.03491	1.0
169.01518	0.3
172.51344	0.3
173.04536	12.5
175.03918	0.6
191.05602	100.0
192.05959	1.9
193.05045	5.7
241.38908	0.3
244.51790	0.2
300.99933	0.4
367.10303	51.8
368.10580	2.6
378.08829	0.3
385.76950	0.3
437.11072	0.3
447.18884	0.4
470.20831	0.3
477.06781	0.5
480.11771	0.3
692.05450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.6
69.03441	0.9
71.01379	15.8
71.05014	0.3
72.99291	0.7
73.02938	2.4
73.20445	0.3
79.95717	0.6
80.02650	1.1
81.03464	2.0
83.01389	2.2
83.04584	0.4
83.05028	6.0
84.02145	1.0
85.02530	0.3
85.02956	3.8
87.00870	3.3
89.02442	12.0
95.01369	1.0
95.04996	0.9
96.13354	0.3
97.02930	2.2
97.06634	0.3
99.00856	0.8
101.01788	0.5
101.02438	10.2
109.02918	0.3
109.06573	0.4
111.04567	0.3
113.02446	6.3
115.04026	0.4
119.03482	2.8
119.04849	0.3
125.02438	5.3
125.06067	0.7
131.03502	0.5
134.89436	0.3
135.08130	0.5
139.04013	0.5
143.03494	1.7
147.11746	0.3
161.04549	3.1
163.11275	3.8
165.12825	2.7
167.03441	0.4
179.05592	3.7
181.12325	0.7
191.10800	1.0
199.06281	0.4
209.11819	100.0
210.12122	1.6
211.13379	0.5
217.07132	1.0
221.06625	1.3
225.11279	0.5
227.12885	10.8
235.08203	4.0
251.12886	1.0
253.09343	0.9
259.08151	0.5
277.21719	41.7
278.22028	0.8
287.07678	1.3
293.21405	0.4
305.08829	1.6
323.09802	1.1
358.95795	0.3
361.11462	0.4
379.12473	6.1
397.13486	30.9
398.13824	0.4
413.18695	0.5
415.14548	8.2
550.41858	0.3
589.25208	0.7
607.26349	1.4
655.59937	0.4
751.05774	0.3
885.47516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	1.2
69.03449	0.7
71.01382	15.0
72.99295	0.7
73.02959	2.5
75.00866	0.6
80.02668	1.3
81.03457	2.4
83.01400	1.9
83.05025	4.9
84.02151	0.6
85.02946	3.2
87.00874	3.5
89.02438	13.3
95.01371	1.5
95.05009	0.9
97.02933	2.3
98.22617	1.4
99.00871	0.6
101.02434	9.9
111.04541	0.4
113.02444	6.7
115.04009	0.4
119.03496	3.5
125.02443	4.9
131.03453	0.4
133.05058	0.4
135.08150	0.8
139.04015	0.6
143.03499	2.6
161.04533	2.3
163.11278	3.9
165.12856	2.1
169.04961	0.4
170.45999	0.4
179.05602	3.7
181.12289	1.0
191.10843	0.8
209.11816	100.0
210.12161	1.8
217.07101	0.5
221.06645	1.4
226.11816	0.4
227.12875	12.5
235.08205	5.2
244.93997	0.4
253.09222	0.7
262.13455	0.3
277.21713	49.0
278.22086	1.4
287.07733	1.5
305.08789	1.3
323.09879	0.5
379.12445	7.0
397.13467	35.8
398.13937	1.0
415.14603	8.2
589.24921	0.7
607.26019	1.5
694.13483	0.5
845.47150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25039	1.8
69.25445	2.6
71.01379	1.8
81.52793	0.8
85.02976	0.9
89.02443	1.2
89.35107	0.8
97.38309	0.7
98.22704	1.5
107.01376	3.2
118.94889	0.8
123.00880	3.7
124.01665	8.9
125.02450	18.0
139.00429	1.1
140.01114	1.0
151.00377	1.7
167.03448	1.0
168.00653	12.9
169.01424	34.2
207.90923	0.7
211.02473	57.7
212.02873	1.3
215.68491	0.8
241.03474	2.5
271.04587	100.0
272.05008	2.2
294.89771	0.9
331.06705	33.5
430.89520	0.7
443.11951	62.7
444.12354	2.8
454.56100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	3.7
69.03439	0.9
71.01382	1.7
79.12935	0.2
81.03439	0.9
83.04996	0.6
85.02451	0.4
85.02940	4.4
87.00866	5.8
93.03455	25.1
94.03775	0.3
99.00854	0.4
99.04525	0.5
101.02418	0.3
109.02927	0.5
111.04526	3.9
113.02432	0.5
117.03466	0.9
125.02425	0.5
127.03995	0.9
129.01909	0.7
134.03743	8.6
137.02415	0.3
143.03481	0.3
149.06071	0.6
155.03461	1.2
160.01627	0.5
169.01430	0.5
171.03035	0.3
173.04544	13.4
175.04007	0.8
191.05603	100.0
192.05983	1.1
193.05048	5.5
224.02863	0.2
282.10776	0.2
300.99814	0.5
327.94815	0.3
351.04620	0.3
367.10312	39.7
368.10672	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	891.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.8
67.05536	2.0
69.18126	9.3
71.01379	89.4
73.02956	6.1
83.01376	4.2
85.02943	37.4
87.00882	2.4
89.02443	100.0
95.01401	6.0
99.00909	1.6
101.02438	43.1
108.02184	13.7
109.02960	38.1
109.03693	2.7
111.04506	11.3
113.02452	34.6
119.03503	32.2
123.00834	1.8
125.02477	2.3
129.98979	1.5
131.03473	4.8
135.04498	1.8
143.03476	9.9
149.04562	3.6
161.02475	2.2
161.04564	38.7
164.01147	1.8
166.77757	1.6
179.05608	74.8
190.02744	2.5
191.05617	25.1
192.00636	35.9
193.01331	8.2
194.02208	4.4
205.01512	3.0
206.02209	2.3
207.02975	8.0
222.01495	1.7
229.07219	5.8
234.01633	7.0
249.03976	1.6
255.08675	10.8
271.08212	25.7
312.04788	5.7
327.07159	12.8
328.27646	1.5
339.10834	32.8
346.09354	1.4
353.08768	6.7
365.12372	54.9
365.16937	3.1
366.12869	1.9
383.13330	8.9
423.09317	1.9
870.99030	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	895.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.1
70.53860	0.6
71.01376	13.7
72.99305	0.6
73.02967	1.5
77.41148	0.5
83.01376	1.8
85.02928	1.5
87.00867	2.1
88.98842	0.8
89.02444	8.9
95.01395	0.8
97.02928	1.3
101.02438	6.9
113.02455	4.0
119.03506	1.7
125.02486	3.2
137.24429	0.6
143.03510	1.6
145.57985	0.6
148.16409	0.6
161.04568	2.0
174.57494	0.6
179.05598	1.5
181.12169	0.7
183.13922	7.6
193.12357	1.7
207.10248	2.1
211.13385	100.0
212.13730	1.8
220.14755	0.9
220.17017	0.6
221.06619	1.3
221.15559	1.6
225.11371	1.1
235.08223	2.5
236.10529	1.8
287.07486	0.7
293.17529	1.0
305.08923	1.1
379.12415	5.1
397.13492	16.6
415.14590	4.1
496.06802	0.7
591.26599	13.8
609.27667	12.6
785.39459	4.2
803.40381	3.3
817.39050	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	897.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28662	4.1
85.02919	0.8
95.01417	1.3
96.72683	0.8
101.02456	1.1
103.98344	0.7
108.02199	1.9
109.02943	7.3
111.00904	1.2
117.03440	7.1
119.04996	1.7
121.02971	5.4
123.00887	7.8
123.04506	1.1
124.01664	5.6
125.02450	4.6
131.55002	0.8
135.04561	1.0
137.02475	1.2
145.02943	24.6
146.03300	1.4
147.04521	1.2
149.02446	1.9
149.06096	5.3
150.03246	1.1
151.04001	34.1
163.04018	12.5
169.01404	0.9
201.05554	1.1
206.71013	0.8
211.55037	0.8
216.86536	0.7
227.03491	2.0
241.05104	0.9
254.05725	1.8
255.03008	1.8
255.06596	2.3
257.04657	4.2
269.04544	0.9
270.05331	5.0
272.06934	5.7
273.07675	7.0
279.80405	0.9
283.02368	2.5
298.04773	7.8
299.05569	1.2
301.00180	1.2
301.03442	14.6
306.09930	0.8
315.04959	1.0
316.05847	21.1
317.06464	1.6
331.06760	0.9
417.11948	3.8
442.03033	0.8
461.10989	5.4
479.11914	100.0
480.12302	4.1
499.38458	0.8
532.95770	0.8
538.82849	0.8
897.24469	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	898.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47334	12.3
71.01404	15.6
101.02432	15.6
125.02406	11.7
129.01924	24.0
158.13530	11.9
175.02502	23.5
209.11826	100.0
210.12199	58.3
227.12889	22.0
229.09877	14.3
309.01468	13.6
397.13782	17.9
450.15100	15.0
778.12042	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70827	0.6
68.99567	1.8
71.01379	14.5
73.02935	2.0
79.19732	0.6
80.02695	0.8
81.03436	1.3
83.01388	1.2
83.04999	4.0
84.02139	0.7
85.02939	3.1
87.00858	2.9
89.02435	11.4
95.01396	1.1
95.05042	0.7
96.95992	2.6
97.02940	2.7
101.02444	10.6
113.02444	6.5
115.17100	0.6
119.03501	2.4
125.02443	3.6
143.03502	2.4
161.04556	2.8
163.11284	2.6
163.79712	0.6
165.12863	1.9
179.05669	4.2
193.33800	0.6
195.13881	6.1
196.14629	1.3
199.05716	0.6
209.11819	81.8
210.12125	2.4
211.11659	0.7
211.13345	4.2
221.06561	1.2
223.13405	5.8
227.12894	11.6
235.08194	3.2
235.19484	0.7
275.20105	4.7
287.07584	1.2
291.19724	1.5
293.21219	100.0
294.21555	2.5
305.08835	1.8
309.20737	2.6
323.09836	1.8
332.48181	0.7
379.12564	3.4
397.13489	31.9
398.13974	0.8
415.14542	11.9
607.26276	2.1
691.35022	1.5
705.08783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44650	0.6
65.69560	0.8
69.03451	1.2
69.64044	1.4
69.64427	1.3
71.01382	14.7
72.99316	0.7
73.02940	1.9
73.89945	0.6
80.02682	1.4
81.03452	2.2
83.01382	1.6
83.05030	4.6
83.47653	0.6
84.02146	0.8
85.02935	3.5
87.00869	2.9
89.02441	11.8
95.01362	1.1
95.05018	1.4
96.95992	3.4
97.02934	2.4
99.00912	0.9
101.02444	10.9
105.61787	0.7
111.08157	0.7
113.02461	5.0
119.03492	3.9
125.02444	5.0
143.03502	1.5
161.04539	2.9
163.11267	4.4
165.12799	2.4
179.05617	3.3
181.12309	0.7
191.10815	0.8
195.13852	4.8
196.14725	0.7
209.11813	91.7
210.12070	1.7
211.13368	3.2
218.40216	0.6
221.06619	0.8
223.13347	3.5
227.12875	11.0
235.08234	4.8
237.24118	0.7
256.13104	0.6
259.08240	0.8
275.20154	4.0
287.07657	1.3
293.21201	100.0
294.21530	3.3
305.08755	1.2
309.20645	1.9
312.95908	0.7
323.09909	1.2
323.44351	0.6
379.12396	3.8
397.13455	40.8
398.13742	1.1
415.14578	12.9
506.87573	0.7
591.26294	0.8
607.26263	3.5
628.72498	0.6
673.33221	0.8
691.35303	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	905.178
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	1.1
83.01363	0.8
93.03414	0.5
97.02940	0.8
102.64895	0.5
107.01382	1.8
108.02098	0.5
109.02934	4.9
121.02957	1.4
123.00862	0.8
123.04505	1.4
124.01678	1.3
125.02441	33.5
126.02757	0.6
135.04488	0.6
137.02420	3.4
139.03999	0.8
140.01178	0.6
145.02925	1.5
148.01744	0.6
149.02414	2.1
151.00375	7.5
151.04041	2.9
161.06018	0.8
163.00365	1.3
164.01126	0.9
165.01904	0.9
166.99916	0.9
168.00583	0.8
169.01418	61.2
170.01740	1.0
178.99829	3.3
179.03503	1.4
184.33246	0.5
185.06020	0.6
187.04007	1.3
188.04715	0.7
193.01431	2.5
201.05550	0.5
202.06345	0.5
203.07132	2.3
205.01309	0.6
205.05078	1.3
211.03952	0.5
221.08101	0.7
226.02690	0.7
227.03467	1.1
227.07047	0.8
229.05035	0.7
243.02948	4.4
245.04422	1.1
245.08101	4.5
253.04991	0.6
254.02190	1.1
255.02971	13.4
256.03763	0.6
271.02487	26.1
271.05960	3.1
272.02957	1.6
289.07156	25.8
300.02734	67.6
301.03479	30.5
301.07080	0.9
302.03891	0.8
303.05078	0.8
331.04517	1.1
441.08252	41.0
442.08582	1.7
463.08810	100.0
464.09079	4.8
558.04413	0.5
609.36230	0.5
703.25989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41966	1.2
69.42365	0.8
79.01881	0.4
81.03432	0.5
93.03486	2.7
95.01385	0.5
97.02947	1.3
98.21854	0.8
105.03455	1.7
108.02184	0.9
109.02952	100.0
110.03259	0.6
115.78248	0.5
117.66380	0.4
121.02958	20.3
123.00880	0.5
125.02448	1.6
133.02936	2.0
145.02931	1.6
149.02434	1.4
151.04027	0.6
161.02571	0.5
163.04013	9.2
165.01929	23.7
169.01469	2.4
177.01938	7.5
186.56657	0.4
189.01906	7.0
191.05556	1.4
243.06535	1.1
245.36169	0.4
269.04605	1.0
287.05603	26.2
293.42072	0.4
300.99991	1.0
331.04584	76.0
332.04904	0.9
406.54602	0.4
465.06421	0.7
479.08319	1.3
575.10486	1.6
627.93921	0.5
637.94830	0.4
729.23151	0.4
833.88397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.5
69.03439	0.5
69.09536	2.1
69.09945	0.8
71.01354	1.6
78.15691	0.4
83.01384	0.4
95.01351	0.5
97.02935	0.8
101.02406	1.1
107.01380	3.6
111.00858	1.0
113.02354	0.7
123.00888	3.9
123.03307	0.4
124.01653	5.6
125.02444	37.5
126.02761	0.7
139.00330	1.5
139.03966	1.4
140.01100	1.4
141.01915	0.5
151.00340	2.3
153.01889	0.8
156.38213	0.5
165.01883	1.5
166.99788	0.9
167.03387	0.7
168.00648	7.9
169.01424	52.5
170.01709	0.8
173.02383	0.5
183.02968	0.9
191.03355	0.4
193.01447	3.1
200.01041	0.6
201.01717	0.9
203.03578	0.5
211.02475	30.1
229.01405	1.4
230.02191	0.5
231.02887	0.7
233.00671	3.0
241.03555	2.4
245.00903	0.7
249.03905	0.5
257.00778	1.3
264.99545	1.4
267.01382	0.5
271.04584	35.3
272.04782	1.3
273.00235	0.5
274.01154	1.3
275.01987	3.8
287.07629	1.5
299.99020	2.6
300.99893	10.1
301.99982	0.5
313.05661	10.0
313.74478	0.5
331.06699	4.9
400.71210	0.4
423.09201	1.8
425.09567	0.6
439.08807	5.2
461.12900	1.3
462.13422	0.6
481.06015	0.8
483.07620	100.0
484.07938	3.8
745.03876	0.7
782.05524	0.9
783.06952	2.6
784.07617	0.7
851.71118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
100.51232	0.1
107.01363	0.2
109.02952	0.3
117.03513	0.2
120.91751	0.1
121.03002	0.2
124.64908	0.1
129.03448	0.2
133.02960	0.2
137.02467	0.3
145.02974	1.0
147.04538	0.3
149.18951	0.1
149.69995	0.2
151.00386	0.7
151.58566	0.1
157.02924	0.7
161.02415	0.2
163.04156	0.1
169.01520	0.1
172.81512	0.1
173.02422	1.1
178.99886	0.4
185.02463	2.3
189.01994	0.2
200.01202	0.2
201.01962	2.0
213.01903	0.4
217.01363	0.4
226.99850	0.4
228.00615	0.3
229.01410	3.5
243.02995	0.5
245.00894	1.2
250.64305	0.1
254.99367	0.2
255.00537	0.2
255.03023	1.4
257.00906	1.5
271.02475	2.9
273.00534	0.2
273.04214	0.2
282.98718	0.1
283.99637	2.7
299.99173	2.1
300.02786	9.4
300.99908	100.0
302.00247	2.4
302.03555	0.3
391.10522	0.4
436.32617	0.2
609.14563	16.1
610.14752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.204
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80608	0.3
69.03429	0.6
69.48623	1.8
71.01388	1.9
73.02959	0.4
79.01893	0.6
81.03420	0.6
81.97884	0.3
83.01370	0.6
85.02953	0.9
87.00875	0.4
93.03423	0.4
95.01354	1.3
95.95876	0.4
97.02917	0.6
101.02415	0.8
107.01381	4.7
108.02171	1.3
109.02977	2.3
111.00857	0.8
113.02448	1.0
123.00868	6.9
124.01662	5.1
125.02444	32.6
128.69124	0.4
135.04475	0.4
136.10867	0.4
136.98811	0.5
137.02403	0.7
139.00375	1.5
140.01132	1.4
141.01944	1.0
149.02454	1.0
151.00368	4.2
151.04062	0.4
163.03998	0.5
166.99831	1.3
167.03448	0.5
168.00603	3.4
169.01419	42.8
170.01791	0.5
179.03430	0.5
191.05602	3.3
193.01398	2.1
211.02472	2.0
223.02480	0.8
237.04028	0.5
241.03529	0.6
253.03467	1.0
295.04431	1.0
297.06100	1.4
300.99814	0.4
313.05658	15.0
337.09265	0.4
405.08282	0.9
417.42834	0.4
423.09323	12.3
462.16028	0.5
465.06747	10.2
479.08395	0.6
575.10388	100.0
576.10522	4.6
787.64532	0.4
793.15027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45081	2.0
78.01364	1.9
78.76299	2.0
79.72817	1.8
95.01390	9.4
109.02943	2.5
117.03461	4.0
119.05023	2.2
123.00894	17.5
124.01655	5.7
125.02449	19.3
125.96638	2.3
126.61497	1.8
131.05022	5.0
133.02927	2.2
137.02429	2.5
145.02928	8.5
147.04475	7.2
149.02507	2.7
158.03716	2.5
159.04538	13.1
161.02466	4.4
163.03999	3.6
164.01097	2.8
171.04408	2.6
173.02432	7.1
175.04044	13.6
177.01944	13.1
179.03471	2.3
185.02440	6.0
186.03131	2.7
187.03969	7.8
189.01929	5.6
190.02693	8.7
191.03517	8.0
191.05592	5.7
198.03152	3.3
199.03966	3.7
200.01114	2.4
201.02008	13.4
202.02702	7.3
203.03479	32.1
205.01508	2.5
213.01859	3.2
214.02690	7.9
215.03404	4.7
216.04218	2.4
217.01439	7.7
218.02145	2.8
219.02957	5.7
219.04930	2.4
221.04475	5.0
226.02888	2.0
227.03468	4.7
228.00653	3.5
229.01459	22.3
230.02179	7.0
231.02966	46.3
232.03383	2.9
239.03412	2.3
240.04512	2.6
241.01259	2.5
242.02167	6.3
243.02832	7.4
245.00810	16.4
246.01395	2.3
247.02435	6.4
248.03232	6.4
249.04021	85.9
254.02138	2.2
255.02928	4.1
257.00870	21.2
258.01642	20.6
259.02481	9.4
263.03500	2.1
267.02899	4.2
270.01688	3.2
271.02463	7.3
272.03210	3.6
273.00363	21.5
273.03680	4.2
274.01178	37.6
275.01965	100.0
279.02979	2.7
283.02567	4.5
283.99600	3.4
285.00323	3.0
285.04065	4.8
286.01175	9.2
287.01974	21.6
288.02701	21.7
291.01801	2.3
293.04645	2.3
295.02432	2.4
297.03958	2.3
299.01956	20.6
299.99118	5.4
300.02414	4.6
300.99841	59.6
301.03494	17.0
302.00070	2.8
305.04370	2.3
309.03973	3.6
311.01883	4.1
312.02695	2.9
313.00092	4.8
313.03574	5.3
314.00690	51.3
314.04129	2.7
315.01480	10.8
315.04602	2.0
316.02130	3.2
317.03043	2.4
325.03485	8.5
326.04254	2.4
327.01410	37.5
327.05054	7.2
328.02026	4.8
329.02945	11.0
330.00085	3.2
335.01605	2.3
337.03528	2.9
338.04367	3.7
339.05103	2.5
340.02167	3.9
341.02945	14.3
343.00577	3.1
343.04471	4.9
346.03314	3.0
349.03433	5.4
351.01294	2.7
351.05054	5.2
353.02930	8.3
355.04395	2.5
359.04248	2.3
366.03900	3.0
367.04822	3.8
369.06293	10.3
371.03851	3.9
377.02969	11.2
383.04065	3.3
387.07181	7.5
394.02905	2.6
395.04105	15.0
403.06601	7.6
413.05237	7.4
423.09369	3.0
431.05981	5.3
449.07117	12.5
461.07391	3.3
473.07339	2.4
479.08286	10.4
509.09296	3.1
533.09381	3.9
551.10541	3.4
569.11462	18.9
663.10022	4.2
707.08881	6.7
733.06665	33.3
734.07758	2.9
751.07843	16.0
763.08215	4.9
775.08008	2.2
781.09534	16.8
793.09625	3.1
825.07001	2.8
835.10638	4.3
837.08130	4.5
839.09094	2.7
853.10919	5.9
871.12128	31.0
879.08069	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	915.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68613	0.3
67.78416	0.3
70.22159	0.3
70.79341	0.4
71.97593	0.2
125.02483	0.4
169.01302	0.4
191.05627	0.3
242.02248	0.6
242.99364	0.9
258.01672	2.3
270.98834	16.2
271.99252	0.4
275.01913	0.3
283.99567	2.6
285.00375	5.4
286.01184	3.2
297.00369	0.5
298.98328	29.0
299.99005	3.2
300.99841	1.1
312.99887	9.1
314.00671	42.8
315.01114	1.6
328.99115	0.4
364.54422	0.3
424.09796	0.3
445.04202	0.3
477.06726	100.0
478.07071	3.2
788.59125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70835	0.2
65.00311	0.3
71.45005	0.3
72.67423	0.3
79.01396	0.2
107.01383	0.8
108.02164	0.5
109.02947	0.5
121.02968	0.4
124.01686	0.3
125.02467	1.2
135.00870	0.3
137.02388	0.4
143.92828	0.2
151.00359	4.5
163.00325	1.0
163.63243	0.3
168.00603	0.5
169.01390	1.3
170.23956	0.3
175.03937	0.4
178.99857	2.9
187.03915	0.3
188.04669	0.3
190.02800	0.7
193.01294	0.4
199.04070	0.5
211.04065	0.3
216.04373	0.5
226.02722	3.0
227.03464	1.3
243.02957	7.8
243.12550	0.3
254.02168	3.3
255.02965	4.5
271.02469	36.4
272.03101	1.2
300.02731	48.3
301.00073	0.4
301.03479	12.2
309.60303	0.3
341.06482	0.3
343.04608	0.7
441.08530	0.3
451.08728	2.0
463.08835	100.0
464.09314	1.9
509.12982	0.6
723.73224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01912	0.2
67.37448	0.1
69.03442	0.1
69.07952	0.2
69.08345	0.5
71.01383	0.6
73.02934	0.2
81.03437	0.2
83.04999	0.2
84.83673	0.1
85.02946	6.2
87.00867	1.1
93.03454	2.2
99.04490	0.3
109.02959	0.6
111.04521	0.8
113.02457	0.1
125.02453	0.1
127.04015	1.8
133.02972	0.6
134.03673	0.1
135.04536	0.9
137.02446	0.1
155.03516	0.2
161.02440	1.9
171.02962	0.4
173.04515	1.1
179.03481	0.8
191.05606	100.0
192.05960	1.3
213.07014	0.1
247.84431	0.1
301.00003	0.1
351.07462	0.1
353.08759	18.9
354.09119	0.6
422.34525	0.1
577.03003	0.1
653.88428	0.1
928.61066	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	917.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57741	0.9
68.69783	0.8
69.03433	1.2
71.01015	1.4
71.01382	17.7
73.02934	2.7
80.02686	1.5
81.03452	2.9
83.01372	2.4
83.05016	5.7
84.02162	0.9
85.02953	5.4
87.00879	3.4
89.02444	13.1
94.47166	0.9
95.01373	2.5
95.05016	1.0
96.96026	1.8
97.02942	3.4
98.21848	1.8
99.00853	1.2
101.02447	11.6
111.08163	8.9
113.02451	6.5
119.03463	3.4
125.02434	5.2
143.03508	1.6
151.11121	1.1
161.04533	3.4
163.11275	6.7
165.12772	3.4
169.12343	2.9
171.10291	1.1
179.05595	4.6
181.12393	1.4
197.11819	36.6
199.13364	3.1
209.11818	100.0
210.12148	1.5
211.13350	6.1
221.06555	1.4
225.11368	1.5
227.12894	13.8
235.08200	5.0
263.07861	1.0
263.20151	2.5
277.88449	1.0
291.19632	16.6
293.21320	1.1
305.08777	2.0
309.20703	82.9
325.73492	0.9
379.12402	2.9
396.91174	1.0
397.13474	34.3
415.14560	15.0
607.26050	2.6
707.34448	2.0
920.94702	0.9
945.95947	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	928.491
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92196	1.6
71.01364	11.0
73.02940	2.1
81.03466	2.8
83.01370	1.9
83.05022	6.5
85.02924	2.7
86.22287	1.8
87.00860	2.6
88.98794	3.8
89.02447	11.1
92.19415	1.7
92.43595	1.7
97.02934	2.5
98.21832	4.8
99.97552	2.0
101.02431	7.5
113.02456	5.0
114.14284	1.5
119.03481	3.1
125.02435	6.0
139.21800	1.6
161.04567	3.1
163.11287	2.3
165.12837	2.5
179.05579	3.7
209.11827	100.0
210.12294	2.1
227.12852	12.6
235.08224	3.7
277.21722	40.1
287.07773	2.7
305.08798	2.9
379.12439	7.7
392.29718	1.7
397.13461	34.2
412.11694	1.8
415.14389	8.2
607.26093	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	931.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43031	0.4
71.45815	0.4
77.54787	0.5
78.61581	0.4
83.01342	0.5
93.69759	0.4
107.01382	1.3
109.02935	0.7
121.02935	1.5
148.01683	0.5
151.00357	7.7
162.48737	0.5
163.00340	1.9
169.01434	0.7
178.99835	3.7
211.03998	0.6
226.02774	0.5
227.03455	0.9
229.01459	0.8
229.04910	0.5
242.99376	0.5
243.02972	2.9
245.04556	1.1
254.02121	0.9
255.02980	10.7
257.00986	0.7
268.12286	0.5
270.98932	3.4
271.02472	19.2
272.03043	0.9
283.02368	0.9
283.99765	1.1
285.00385	1.7
298.98325	6.7
299.01550	0.8
299.99200	5.4
300.02710	52.2
300.99887	34.0
301.03522	39.7
302.00259	1.5
302.03687	0.9
317.85989	0.5
365.64554	0.5
447.09302	100.0
448.09753	2.9
483.02017	6.9
483.18710	1.2
553.87750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
93.26776	1.1
95.01393	3.1
111.00912	2.2
117.03482	1.4
123.00877	4.2
125.02464	2.0
133.02995	1.4
139.00360	3.1
141.01979	1.4
145.02945	3.1
147.04495	1.8
157.02921	2.3
161.02397	1.3
163.03943	2.7
166.99907	2.0
169.01447	2.8
171.00888	1.2
173.02458	3.6
175.03989	3.1
185.02397	5.2
187.04005	1.8
189.01965	2.4
191.03461	2.1
193.01353	1.6
199.00391	1.7
200.01233	1.8
201.01918	8.0
203.03526	5.5
213.01993	2.8
216.00569	1.3
217.01366	2.2
223.03943	1.6
226.99873	2.3
228.00679	2.8
229.01350	14.5
230.02208	1.6
231.02910	3.3
242.99380	1.6
244.00095	3.4
245.00951	6.1
247.02357	2.3
249.04097	1.9
254.99397	2.0
257.00912	12.4
258.01630	2.6
259.02335	2.8
261.00253	1.8
270.98889	7.0
271.99606	3.2
273.00366	4.1
275.01984	25.4
282.98819	2.8
283.99652	3.8
285.00342	8.8
293.00815	2.7
298.98389	12.9
299.01669	2.1
299.99109	33.0
300.99896	100.0
302.00241	3.4
307.02396	1.2
309.26697	1.2
310.98251	1.5
321.00488	1.2
323.01990	1.3
326.97882	1.8
339.01437	1.5
348.99744	3.2
351.01395	4.2
353.02954	1.5
367.00690	2.6
376.99310	3.6
381.02646	1.6
404.99130	2.9
425.01477	36.4
450.99396	83.1
451.99811	2.6
463.05334	3.2
467.08215	1.7
469.00623	5.3
469.30362	1.4
481.06201	8.2
609.14789	1.9
631.05890	3.3
763.34320	1.1
933.06421	31.5
933.25122	1.8
934.07111	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	933.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90817	0.6
69.91140	0.9
95.01347	0.7
123.00837	0.9
125.02435	0.4
126.08038	0.4
132.02217	1.0
139.03964	0.8
144.02177	1.1
145.02943	0.9
160.01512	0.4
166.99878	0.6
172.01663	6.2
173.02344	0.7
185.02402	1.7
187.00339	1.0
188.01074	0.8
199.00217	0.7
200.01144	3.5
201.01952	1.9
203.03563	0.8
207.27060	0.4
214.99817	1.0
216.00644	4.4
226.99982	1.1
228.00644	6.2
229.01346	3.7
242.99274	3.2
244.00087	7.3
245.00792	1.4
257.00919	1.9
259.30441	0.5
270.98859	12.6
271.01941	0.8
271.99625	7.5
273.00238	0.6
275.02045	3.0
282.98883	5.5
283.99469	1.8
285.00443	1.8
297.91577	0.5
298.98349	30.8
299.99112	100.0
300.99884	78.1
301.03549	0.8
302.00220	2.0
343.00842	0.6
345.08356	0.6
425.01511	98.9
426.01520	2.4
450.99423	5.9
463.05505	2.5
467.08582	0.7
469.00522	5.1
481.06335	1.3
769.66522	0.5
795.74054	0.5
833.30560	0.6
933.06403	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	933.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86917	0.9
81.03451	1.1
88.74967	0.9
95.01438	1.1
107.01363	1.2
121.02977	0.9
123.00832	2.0
124.01662	3.4
125.02443	23.5
145.02931	1.2
146.28934	1.1
146.89952	1.2
149.02473	1.2
151.04066	1.0
157.02945	1.0
161.02365	3.6
162.03239	1.6
163.03905	1.4
165.01929	2.8
168.00644	3.8
169.01419	22.6
173.02435	1.2
177.01830	1.2
185.02484	1.1
190.02739	2.6
191.03397	1.2
192.00642	6.9
193.01398	11.4
195.47318	1.0
201.02089	1.5
205.01378	1.0
206.02211	2.2
207.02971	9.5
209.48763	1.0
211.02496	8.5
229.01430	2.1
234.01694	4.9
235.02507	9.1
249.03981	3.2
251.35977	1.0
277.03354	1.5
294.03717	1.2
299.99017	1.6
300.99872	24.3
469.94244	1.2
479.07941	2.3
631.09363	100.0
632.09644	3.7
846.61981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	5.9
71.01381	100.0
73.02937	10.6
81.03474	5.5
83.01371	8.8
83.05022	10.9
85.02945	14.3
85.32706	3.2
87.00865	10.1
89.02444	42.9
89.13484	3.2
91.45725	3.5
95.01391	7.9
95.04987	5.3
96.95452	3.9
96.96021	40.4
97.02959	16.2
97.06612	5.2
101.02441	34.7
104.59498	3.5
109.06578	11.1
111.04497	3.6
111.08181	4.3
113.02441	20.8
119.03497	10.2
123.08160	4.5
124.67828	3.5
125.02443	13.7
125.09715	7.2
127.11256	4.3
137.09738	5.2
140.15709	3.3
143.03532	7.2
149.09708	4.1
161.04546	11.2
163.11261	19.7
165.12846	11.6
171.10269	56.6
179.05600	11.5
181.12338	7.6
185.11771	4.0
197.11847	22.4
197.41588	3.5
199.13234	4.1
201.11327	49.7
207.10237	37.2
209.11816	95.3
211.13425	16.3
215.12865	3.5
217.37622	3.7
219.62334	3.2
220.89818	3.0
221.06589	4.9
225.11284	66.2
227.12935	18.1
235.08261	6.9
237.14458	3.9
243.12251	5.6
245.19116	5.6
253.09154	4.1
289.18091	15.8
291.19614	39.7
307.19141	18.7
309.20697	86.8
341.23282	10.1
379.12402	5.9
397.13474	69.7
415.14532	32.7
623.25391	14.5
915.45886	15.3
933.47174	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	935.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42509	0.7
69.42896	0.5
77.51784	0.2
95.01379	0.8
101.63464	0.2
117.03442	0.8
119.05002	0.6
123.00894	1.7
124.01636	0.4
125.02448	2.4
129.03450	0.4
133.02971	0.6
135.04453	0.3
145.02950	2.9
147.04517	1.0
157.02950	1.3
159.04489	1.1
161.02458	0.8
163.03996	1.4
164.01213	0.3
169.01434	1.6
171.01042	0.3
173.02422	2.6
174.03223	0.4
175.03978	1.5
177.01953	0.6
185.02443	3.4
187.04037	0.5
189.01897	1.2
190.02673	0.9
191.03519	1.3
199.00334	0.4
200.01144	0.2
201.00108	0.2
201.01913	4.3
203.03479	3.3
205.01433	0.5
210.22644	0.2
213.01945	1.3
216.00655	0.5
217.01424	1.2
218.02179	0.4
219.03008	1.2
226.99881	0.6
228.00638	0.6
229.01407	10.1
230.02147	0.7
231.03006	3.1
233.29134	0.3
244.00136	0.4
245.00906	3.5
246.01468	0.3
247.02477	1.1
249.04071	2.8
254.99362	0.7
257.00912	6.3
258.01605	1.2
259.02435	0.4
273.00510	2.3
274.01239	1.8
275.01974	16.4
283.99661	3.8
291.01425	1.0
299.99094	4.5
300.99881	100.0
302.00180	1.6
393.34464	0.3
419.61234	0.3
450.99167	2.0
463.05215	1.2
467.03339	0.4
481.06473	0.8
633.07361	15.0
765.06006	0.6
783.06464	0.5
935.08008	11.1
936.08563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.0945
Annotation	Punicafolin
Peak:m/z	Relative Intensity
65.00295	0.4
69.38517	1.2
69.38925	1.0
79.01904	0.5
81.03468	0.6
83.04810	0.4
85.02962	0.7
93.68276	0.4
95.01419	2.4
95.01997	0.5
107.01386	3.2
109.02956	0.7
111.00861	0.5
113.02440	1.0
119.05047	0.9
121.03015	0.5
123.00891	7.1
124.01664	4.5
125.02445	18.5
129.03389	0.5
131.05026	0.6
133.02980	0.6
136.98839	0.7
137.02466	0.7
139.00392	1.0
141.01921	0.8
145.02969	3.1
147.04521	1.9
149.02480	1.7
151.00412	1.1
151.04005	0.6
157.02975	1.1
159.04521	1.6
161.02472	1.5
163.04034	1.5
164.01131	1.1
165.01907	1.1
166.02693	0.7
166.99841	1.1
168.00673	1.9
169.01419	16.9
173.02434	3.1
175.04062	2.3
177.01923	1.6
179.03514	1.2
183.02835	0.4
185.02457	3.6
187.03973	0.8
188.01064	0.4
189.01945	1.9
190.02721	1.7
191.03503	2.5
192.00648	9.1
193.01422	13.2
194.02144	0.6
200.01176	0.4
201.01901	3.9
202.02788	0.6
203.03511	5.3
205.01457	0.9
207.02991	3.9
211.02458	2.3
213.01981	1.2
215.35857	0.5
217.01381	2.0
219.02965	1.1
221.01031	0.7
226.99922	1.1
229.01398	9.6
231.02950	5.9
234.01732	1.9
235.02493	2.2
238.43990	0.4
244.00229	0.6
245.00903	4.7
247.02426	2.1
248.03249	1.6
249.04021	12.9
256.98441	0.8
257.00928	6.3
258.01678	2.1
259.02414	0.5
273.00412	4.4
274.01288	1.3
275.01984	23.1
283.99673	2.8
290.00674	0.8
291.01306	1.1
295.04764	0.5
299.99118	3.3
300.99887	100.0
302.00262	2.4
312.04962	0.8
313.05557	3.5
321.39133	0.4
327.07196	0.6
419.06186	1.6
429.06738	0.5
465.06680	3.3
479.08304	31.4
483.07462	0.5
599.07861	0.5
615.06366	0.5
639.97101	0.5
741.08875	0.8
767.07556	4.0
785.08276	1.0
920.34357	0.5
937.09430	25.3
938.09821	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	939.1109
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.00295	0.9
67.01884	2.7
68.47716	0.6
68.51086	0.6
69.03449	2.6
69.11363	3.4
69.11767	1.4
71.01369	1.2
77.88998	0.6
78.01080	0.8
79.01878	2.4
81.03440	2.1
83.01416	0.8
84.37727	0.7
85.52316	0.6
95.01384	14.6
97.02953	4.0
98.21879	1.5
104.04350	0.7
107.01399	9.6
108.40831	0.7
111.00881	1.9
115.05481	0.6
121.02955	0.8
123.00883	36.0
124.01665	15.7
125.02442	85.0
126.02841	1.0
127.00391	1.1
131.05020	1.4
133.03000	1.1
136.98859	1.3
137.02403	1.4
139.00363	4.0
140.01167	3.7
141.01930	3.9
143.01836	0.7
143.05074	0.9
145.02898	1.1
145.06587	0.8
149.02473	1.2
151.00363	3.7
153.01903	0.9
159.04440	1.8
161.02423	2.6
161.06046	1.1
163.04047	0.8
166.99849	12.5
168.00633	10.3
169.01416	100.0
170.01773	1.4
170.36926	0.7
171.04486	1.7
175.03969	1.3
177.01883	3.1
179.03413	1.2
187.03989	1.9
189.01927	0.8
189.05556	1.8
190.02731	1.5
191.03508	2.3
192.00587	0.8
193.01370	3.3
199.03946	1.3
203.03520	1.5
205.01437	3.3
205.05086	2.0
207.02991	1.7
211.02420	4.2
215.03471	2.3
217.05023	3.1
218.02107	0.6
219.03113	0.8
221.00954	1.1
221.04541	1.8
230.38988	0.7
231.02928	0.9
233.04581	3.5
235.02426	1.7
235.05951	0.7
249.04001	1.2
256.03897	0.9
259.02402	1.8
261.03992	1.9
263.05701	1.1
277.03479	3.1
279.05072	3.2
284.03284	13.3
285.04034	28.1
295.04514	4.3
300.99774	0.9
312.99997	1.2
313.05594	5.1
333.61969	0.7
409.91779	0.7
410.81146	0.8
429.04788	1.3
431.06070	4.0
443.62018	0.7
447.09506	35.6
449.07019	1.1
465.06543	4.6
491.07941	1.4
599.06946	3.4
601.08429	2.5
617.07672	9.7
635.08228	0.9
769.08856	59.6
770.09326	1.3
787.09662	5.5
939.11169	24.0
940.11115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6419
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73490	1.1
70.96513	1.0
70.97152	1.1
125.02448	1.6
136.78745	1.1
139.70804	1.1
150.57152	1.1
194.17827	1.3
195.84192	1.1
215.24475	1.0
226.83017	1.0
331.96753	1.2
342.89282	1.2
357.47275	1.1
395.34399	1.2
475.24634	1.2
903.66486	1.9
939.64136	100.0
940.64478	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	943.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.4
69.03445	0.4
71.01379	1.7
72.99271	0.3
75.74055	0.3
79.01892	0.6
81.03478	0.9
82.00581	0.3
83.01370	0.5
85.02967	0.9
93.03457	0.7
95.01395	1.2
96.95944	0.3
96.99314	0.3
97.02938	0.8
98.14285	0.3
98.22675	0.8
100.00893	0.3
101.02431	0.7
107.01391	5.2
108.02162	0.4
109.02941	1.5
109.71601	0.3
111.00886	0.7
113.02470	0.8
121.02918	0.3
123.00884	5.9
124.01650	3.9
125.02442	35.1
126.85876	0.3
127.00365	0.6
134.03778	0.4
136.98746	0.3
137.02454	0.4
139.00363	1.9
140.01166	1.2
141.01953	1.0
151.00340	3.5
153.01950	0.6
165.01909	0.4
166.99855	0.9
167.03497	0.9
168.00641	2.5
169.01414	48.8
170.01714	0.5
173.02376	0.3
175.03993	0.3
179.03378	0.5
181.01416	0.6
191.03609	0.3
191.05591	1.1
193.01372	1.6
211.02435	2.5
219.02788	0.3
223.02525	0.9
229.01213	0.5
229.38379	0.3
231.02844	0.3
241.03506	0.7
253.03511	0.5
257.00964	0.4
271.99689	0.4
275.01987	1.3
295.04694	1.5
297.06219	1.6
299.99072	1.3
300.99924	5.3
302.00162	0.7
313.05658	14.0
367.10327	0.4
405.08325	0.9
406.48648	0.3
423.09329	10.2
463.05316	0.9
465.06683	10.0
465.13254	0.7
575.10394	100.0
576.10791	2.1
576.18707	0.3
725.29724	0.4
977.17407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	0.4
69.03467	0.7
69.33207	1.2
71.01392	2.1
73.02939	0.5
78.68610	0.2
79.01899	0.5
81.03455	0.5
82.00601	0.3
83.01411	0.2
85.02962	0.9
87.00875	0.3
90.67942	0.2
93.03472	0.3
95.01408	1.5
97.02933	0.7
98.21928	0.4
101.02435	0.8
107.01393	5.2
107.05080	0.3
108.02161	1.1
109.02972	2.1
111.00875	1.0
113.02450	1.1
119.02619	0.2
119.37914	0.2
121.02963	0.3
123.00892	8.3
123.04457	0.3
124.01669	6.3
125.02448	34.8
126.02795	0.5
127.00380	0.4
134.68280	0.3
134.81859	0.2
136.98795	0.7
137.02455	0.5
138.03233	0.3
138.05092	0.2
139.00391	1.4
139.04031	0.3
140.01155	1.6
141.01956	1.5
149.02441	0.4
151.00372	4.8
151.03990	0.5
153.01920	0.5
161.02481	0.3
163.03970	0.5
165.01967	0.7
166.02664	0.3
166.99858	1.2
167.03522	0.9
168.00656	3.6
169.01428	45.7
170.01762	0.5
179.03473	0.7
191.03993	0.3
191.05632	2.3
193.01451	1.6
195.02937	0.3
207.02940	0.4
211.02466	3.2
223.02406	1.1
235.02454	0.6
237.04108	0.4
241.03497	0.7
253.03476	0.6
295.04657	1.5
297.06177	2.2
299.02032	0.3
300.99872	0.8
313.05661	18.1
314.05902	0.5
405.08145	0.5
423.09329	11.0
424.09875	0.3
463.04688	0.3
463.27560	0.2
465.06717	14.4
466.06998	0.5
575.10419	100.0
576.10779	3.4
577.11023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.9
79.01901	0.4
81.03484	0.3
83.01401	0.3
85.02967	0.4
89.02457	0.3
91.96297	0.2
94.03116	0.2
95.01384	0.4
95.83439	0.2
96.68408	0.3
96.96022	0.8
97.02969	0.4
98.22634	0.9
101.02412	0.6
107.01382	3.0
111.00898	0.6
113.02470	0.6
123.00880	3.2
124.01638	3.9
125.02445	28.9
135.08336	0.2
136.98822	0.5
137.02493	0.3
139.00371	1.1
139.03969	0.3
140.01132	1.1
141.01962	0.4
151.00391	2.1
153.01932	0.4
165.01881	0.7
167.03432	0.7
168.00633	6.0
169.01421	44.3
170.01776	0.3
183.03024	0.5
190.99675	0.4
193.01387	0.8
211.02467	25.6
233.00662	1.4
241.03607	1.8
253.03586	0.3
264.99570	0.9
271.04575	36.4
272.04816	0.4
300.99820	0.4
313.05655	9.3
323.31943	0.3
331.06662	4.8
423.09213	0.4
428.22205	0.3
461.13089	3.0
483.07678	100.0
484.08029	1.5
521.02960	0.6
939.31647	0.3
962.20844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6704
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60080	0.5
81.03459	4.3
83.05023	10.6
110.62155	0.6
116.55925	0.6
125.02445	1.1
125.07197	0.8
126.05548	0.8
207.14929	0.8
224.17659	1.6
225.16072	7.5
300.99866	8.3
341.29062	0.7
433.31641	0.8
450.34332	0.9
451.32941	6.0
550.43329	0.6
645.11017	3.0
677.49451	1.5
693.85870	0.6
903.66510	100.0
904.66510	4.2
946.67163	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	948.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66209	26.9
69.61903	23.2
70.53973	29.3
70.64895	47.9
82.60385	24.6
92.92776	37.8
102.27647	28.6
103.06545	31.3
113.78761	24.3
123.80219	29.6
135.23126	27.3
137.19714	28.3
171.55220	27.2
178.62082	27.4
209.11789	100.0
210.12198	49.1
243.76544	27.3
261.84372	27.4
278.22034	34.6
495.89386	31.7
735.81091	28.9
764.60687	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	53.5
80.03056	29.9
92.92778	54.5
125.02425	36.6
209.11815	100.0
210.12177	64.5
277.21542	44.2
288.72064	34.3
303.13062	30.3
318.59631	32.3
397.13806	30.4
462.04642	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
91.76505	1.2
95.01390	1.4
95.86758	1.5
117.03470	2.2
123.00891	3.2
125.02464	2.0
129.80336	1.3
133.02989	1.5
145.02962	5.8
146.03642	1.6
147.04567	3.2
157.02980	2.8
161.02507	3.4
163.04025	4.1
164.81136	1.4
171.00833	1.9
172.01671	3.8
173.02409	7.2
174.03226	2.1
175.04022	4.4
183.26373	1.2
185.02478	5.2
187.04094	1.2
189.01941	4.3
190.02725	5.0
191.03503	5.3
191.05476	5.8
199.00343	1.8
200.01157	4.2
201.01907	12.1
202.02623	1.6
203.03484	5.7
213.01898	2.7
216.00613	2.6
217.01379	5.2
218.02229	2.5
226.99951	3.7
228.00635	3.5
229.01378	18.4
230.02200	1.4
231.02948	5.4
242.99324	2.2
244.00134	2.9
245.00880	10.4
247.02470	4.1
249.04050	4.5
257.00879	15.6
258.01730	4.6
259.02469	1.8
270.98834	4.3
271.99683	2.5
273.00443	8.9
274.01160	11.8
275.01978	46.2
283.99670	5.2
285.00488	3.9
291.01517	1.7
298.98349	9.7
299.01801	2.5
299.99094	26.4
300.99890	100.0
425.01508	4.2
479.04645	1.8
480.05350	1.6
481.06308	5.6
605.07819	5.8
745.03101	4.0
763.04462	5.9
764.04938	3.1
781.04840	2.8
782.06104	10.1
783.06848	13.5
889.07123	2.0
907.08447	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
91.76505	1.2
95.01390	1.4
95.86758	1.5
117.03470	2.2
123.00891	3.2
125.02464	2.0
129.80336	1.3
133.02989	1.5
145.02962	5.8
146.03642	1.6
147.04567	3.2
157.02980	2.8
161.02507	3.4
163.04025	4.1
164.81136	1.4
171.00833	1.9
172.01671	3.8
173.02409	7.2
174.03226	2.1
175.04022	4.4
183.26373	1.2
185.02478	5.2
187.04094	1.2
189.01941	4.3
190.02725	5.0
191.03503	5.3
191.05476	5.8
199.00343	1.8
200.01157	4.2
201.01907	12.1
202.02623	1.6
203.03484	5.7
213.01898	2.7
216.00613	2.6
217.01379	5.2
218.02229	2.5
226.99951	3.7
228.00635	3.5
229.01378	18.4
230.02200	1.4
231.02948	5.4
242.99324	2.2
244.00134	2.9
245.00880	10.4
247.02470	4.1
249.04050	4.5
257.00879	15.6
258.01730	4.6
259.02469	1.8
270.98834	4.3
271.99683	2.5
273.00443	8.9
274.01160	11.8
275.01978	46.2
283.99670	5.2
285.00488	3.9
291.01517	1.7
298.98349	9.7
299.01801	2.5
299.99094	26.4
300.99890	100.0
425.01508	4.2
479.04645	1.8
480.05350	1.6
481.06308	5.6
605.07819	5.8
745.03101	4.0
763.04462	5.9
764.04938	3.1
781.04840	2.8
782.06104	10.1
783.06848	13.5
889.07123	2.0
907.08447	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42477	1.4
69.42882	2.3
95.01327	1.1
117.03460	1.0
119.05086	0.7
123.00904	1.6
128.47571	0.8
129.03535	0.8
133.02953	1.2
137.02371	0.8
145.02974	1.8
146.50844	0.7
147.04517	1.7
155.66859	0.8
157.02937	1.5
159.04468	1.3
161.02411	2.2
163.04036	2.0
171.00859	1.2
172.01630	1.6
173.02402	4.7
174.03113	1.0
175.03998	1.7
177.01883	0.8
185.02406	2.2
189.01888	3.8
190.02731	3.6
191.03482	2.8
199.00288	1.1
200.01157	3.1
201.01891	6.3
202.02721	1.3
203.03519	4.1
205.01369	1.2
216.00655	2.2
217.01418	5.3
218.02277	2.4
219.02975	1.4
226.99898	3.1
228.00612	2.9
229.01411	11.4
230.02121	2.1
231.02977	6.1
242.12761	0.7
242.99422	1.0
244.00087	2.0
245.00879	7.2
246.01772	1.4
247.02493	6.3
248.03111	2.1
249.03966	4.7
257.00894	10.8
258.01651	2.5
259.02408	1.1
261.00369	1.3
270.98868	3.5
271.01636	0.7
271.99686	2.3
273.00388	9.8
274.01181	12.9
275.01974	41.8
276.02313	1.0
283.99637	3.6
285.00369	2.9
288.99530	0.9
290.00629	1.3
291.01404	1.5
298.98331	10.6
299.99091	25.8
300.99890	100.0
302.00006	1.9
319.01044	1.0
399.03445	1.0
408.62433	0.8
419.02814	1.0
425.01392	4.8
479.04813	4.4
480.05383	2.3
481.06201	6.4
605.07574	6.2
672.76312	0.9
745.03088	4.0
763.04810	5.4
764.05103	3.0
781.05231	3.7
782.06244	10.5
783.06830	16.0
889.07727	1.0
907.08398	29.2
908.08441	1.2
959.09967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03987	0.4
95.01389	1.5
97.67681	0.6
111.00874	0.8
117.03461	0.7
123.00885	2.8
124.01627	0.7
125.02431	1.6
129.03424	0.9
133.02927	1.2
145.02931	3.2
147.04515	2.2
149.02373	0.8
157.02954	2.0
159.04527	1.8
161.02452	2.1
163.03960	2.2
169.01410	0.6
171.00848	1.1
172.01649	1.9
173.02443	4.4
174.03210	1.0
174.93651	0.5
175.04016	3.3
177.01950	1.4
179.03487	0.5
185.00932	0.7
185.02374	3.3
187.04007	0.6
189.01920	3.5
190.02701	4.1
191.03476	2.8
191.05447	0.6
199.00407	1.6
200.01143	2.7
201.01935	8.2
202.02655	1.1
203.03503	7.1
213.01915	1.4
214.02710	0.7
214.99971	0.6
216.00551	1.7
217.01421	3.2
218.02225	3.3
219.02946	1.9
226.99863	1.8
227.03558	0.6
228.00706	2.1
228.99062	0.8
229.01381	14.1
230.02110	1.6
231.02957	7.0
233.00894	0.5
241.13037	0.5
242.99269	1.0
244.00124	1.3
245.00871	6.1
246.01672	1.3
247.02444	4.0
248.03181	1.8
249.04005	5.7
256.98154	0.6
257.00891	11.2
258.01682	3.4
259.02527	1.1
270.98834	2.9
271.99527	1.2
273.00436	5.2
273.98181	0.5
274.01175	12.2
275.01971	45.0
276.02261	0.9
283.99609	3.9
285.00424	1.7
291.01480	1.0
298.98306	5.5
299.99121	21.7
300.99884	100.0
302.00223	2.4
316.99588	0.6
425.01617	2.7
462.04205	0.7
479.04779	1.2
480.05121	2.2
480.99609	0.8
481.06143	6.7
605.08093	1.7
745.03571	3.0
763.04102	4.4
764.05048	1.8
781.05042	3.2
782.06006	10.4
783.06879	37.5
784.07404	1.5
907.08307	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	951.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.3
74.99363	1.3
76.98138	0.3
77.29226	0.3
81.08040	0.3
82.99885	0.8
85.01474	0.3
85.02953	1.3
85.09139	0.4
86.99368	0.5
89.02448	0.6
98.21850	0.6
98.98759	0.7
98.99380	10.0
100.00169	1.2
101.00934	1.7
102.98866	5.3
109.01454	0.5
111.03023	1.1
113.00963	0.6
113.98097	0.7
114.98946	0.3
115.99651	1.0
117.00400	2.2
125.00954	2.6
126.98853	0.9
127.02506	2.2
131.99133	0.5
141.00443	25.1
143.02003	5.5
143.99138	1.6
144.99921	0.6
153.00433	4.3
153.04089	0.6
155.01985	0.5
157.02867	0.3
167.01997	22.8
168.02151	0.5
168.99921	0.6
169.03548	1.4
171.01463	1.8
173.02422	0.8
179.02039	0.5
185.03085	1.9
187.04633	2.5
189.01842	0.4
190.02699	0.5
191.03488	0.5
195.01489	0.7
196.01601	0.4
197.03064	3.6
200.01204	0.7
201.02565	4.6
202.02722	0.6
208.70982	0.4
209.03081	0.7
210.73853	0.3
211.04597	10.3
217.01718	0.6
218.02151	0.4
221.03014	2.2
223.04622	0.9
226.99866	0.5
227.04124	2.9
229.01453	1.7
229.05704	2.9
231.02936	1.0
243.03535	0.7
244.00172	0.4
245.00909	0.9
247.02470	0.4
249.03973	0.4
257.00992	1.7
270.98843	0.6
273.00314	0.6
274.01172	1.3
275.01999	4.2
283.99619	0.7
287.06213	1.0
298.98257	0.9
299.99133	2.9
300.99890	10.9
313.07831	0.5
329.79706	0.4
331.08835	45.6
332.09003	1.4
391.10922	1.5
425.01364	0.5
448.51480	0.4
461.14996	1.9
481.06042	0.8
581.54822	0.4
605.07977	0.5
636.49902	0.4
641.21503	100.0
642.21741	5.5
745.03259	0.6
782.06165	1.2
783.06726	1.2
894.18884	0.4
907.08716	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	953.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42339	5.9
69.42727	2.9
71.01381	1.5
77.88574	1.4
95.01379	5.8
99.84695	1.3
107.01366	2.8
113.02462	1.7
114.80349	1.3
123.00914	11.8
124.01695	3.0
125.02452	17.0
133.02925	1.7
139.00372	1.6
145.02943	3.9
147.00627	1.3
147.04588	1.7
157.02879	2.1
159.04524	1.7
161.02469	2.5
163.03964	1.5
163.63966	1.4
166.99916	2.2
168.00624	4.1
169.01425	19.0
172.01807	1.8
173.02412	4.2
175.04004	3.1
177.01926	2.2
185.02440	3.4
189.01942	3.4
190.02708	3.8
191.03511	3.7
200.01158	2.7
200.16751	1.4
201.01926	7.4
203.03473	10.0
213.01758	1.6
214.99940	1.5
217.01321	3.0
219.02908	3.7
228.00517	2.9
229.01367	12.7
230.02161	6.1
231.02971	12.8
245.00882	5.9
246.01698	1.6
247.02495	10.4
248.03195	3.1
249.04007	17.8
257.00958	10.5
258.01663	2.2
259.02426	3.3
270.98746	1.7
271.99597	1.5
273.00348	5.3
274.01193	8.6
275.01968	43.3
276.02335	1.9
283.99493	3.0
285.00394	2.0
291.01483	1.9
298.98187	3.1
299.99097	18.1
300.99887	100.0
301.99924	1.4
306.59241	1.4
323.20007	1.9
463.04807	1.8
483.07431	3.0
597.05304	2.6
765.05688	24.9
766.06158	4.8
783.07953	2.0
784.07550	15.0
785.08392	48.9
909.09949	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	953.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	0.7
69.43314	1.7
69.43719	2.4
71.01388	0.9
79.01897	0.9
93.03455	0.7
95.01398	6.8
97.02930	1.0
103.10499	0.6
107.01376	3.0
111.00877	1.5
117.03481	1.8
119.05058	1.3
121.03011	0.8
123.00885	15.0
124.01682	5.1
125.02448	21.1
129.03474	1.0
133.02895	1.2
137.02425	0.8
139.00328	2.2
140.01144	1.2
145.02979	5.8
146.39886	0.7
147.04541	3.7
148.01585	0.8
149.02412	0.9
151.00444	1.0
157.02963	3.5
159.04539	2.2
160.01651	1.1
161.02399	3.7
162.03271	1.0
163.00359	1.8
163.04007	2.1
165.01898	1.0
166.99860	3.7
168.00659	3.6
169.01425	23.5
171.00793	0.9
172.01669	2.4
173.02443	5.4
174.03215	1.7
175.03986	4.7
177.01920	3.2
185.02420	4.0
187.04031	1.7
188.01080	1.2
189.01917	4.4
190.02669	5.1
191.03496	6.2
193.01346	0.9
197.02431	0.8
199.00317	1.3
200.01167	3.0
201.01927	11.7
202.02661	1.0
203.03490	8.4
205.01340	2.0
207.02979	1.0
209.00761	1.1
211.02426	1.0
213.01947	1.7
214.02730	1.9
214.99928	0.8
215.03481	1.1
216.00626	2.2
217.01422	5.3
218.02153	2.9
219.02966	2.8
226.99913	2.7
228.00621	4.2
229.01413	20.9
230.02211	6.5
231.02959	18.9
235.02425	1.3
242.99312	1.1
243.03081	0.7
244.00128	2.7
245.00908	10.2
246.01637	2.0
247.02460	14.8
248.03186	4.6
249.04005	17.5
257.00897	10.5
258.01688	2.8
259.02417	1.9
270.98764	2.8
271.04816	0.8
271.99588	3.1
273.00388	12.6
274.01187	12.0
275.01965	51.1
283.02472	1.3
283.99731	4.7
285.00430	5.0
291.01398	2.7
298.98428	4.8
299.01453	1.0
299.99109	23.2
300.99890	100.0
302.00232	1.1
313.05588	2.0
315.89569	0.7
355.90247	0.8
425.01480	5.7
445.03784	1.3
483.07343	1.4
739.08527	1.6
755.08014	1.2
757.09351	1.0
765.05847	40.0
766.06445	5.4
769.08679	1.0
783.06647	6.7
784.07819	17.3
785.08374	42.4
786.09491	0.9
835.41901	0.8
909.10059	30.5
923.10907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31573	0.6
67.01875	2.4
69.03448	2.3
69.12341	3.6
71.01384	2.3
78.01112	0.8
79.01892	2.7
81.03436	1.7
83.01407	1.0
85.02937	1.5
95.01384	13.1
96.96021	1.4
97.02947	3.4
107.01385	10.4
109.02994	0.9
110.20908	0.7
110.86837	0.7
111.00867	2.7
113.02430	1.4
117.03471	0.9
123.00890	38.4
123.04453	0.8
124.01661	15.1
125.02444	98.9
126.82076	0.7
127.00356	1.7
136.98785	1.1
137.02469	2.8
139.00360	4.6
139.04013	2.6
140.01172	4.0
141.01933	4.4
143.03462	1.2
143.05006	1.2
145.02902	0.9
145.06642	0.8
149.02379	0.9
151.00374	2.6
151.03896	0.8
159.04568	2.3
161.02446	4.5
163.04015	1.1
166.99850	13.5
167.32571	0.8
168.00632	12.9
169.01419	100.0
174.03244	1.8
175.03990	0.9
177.01901	2.7
177.05618	0.8
179.03487	1.2
181.01407	1.7
183.02992	9.2
187.04007	0.9
189.01862	0.8
189.05563	2.2
190.02750	1.1
191.03488	2.0
193.01378	2.1
199.04044	1.2
203.03427	1.4
205.01326	5.1
205.05087	2.1
205.41086	0.7
207.03033	1.3
207.72198	0.7
211.02440	3.7
215.03572	1.8
217.05070	2.4
219.03133	0.7
221.04546	1.2
223.02359	0.7
225.11311	0.7
231.03029	0.9
233.04541	1.8
235.02405	1.3
235.06168	1.0
243.02783	0.8
249.04106	1.4
253.03299	1.0
259.02612	1.3
261.04099	1.3
277.03506	3.0
279.05093	2.5
295.04645	4.7
300.99841	2.6
302.00314	1.0
303.00363	0.9
313.05573	1.8
383.29254	0.9
431.06296	2.6
447.05777	3.2
465.06522	1.9
479.08286	1.0
491.51947	0.8
599.06793	1.6
601.08002	1.1
613.08191	1.0
617.08112	1.1
631.09314	5.6
783.10431	20.7
787.10083	0.9
801.12103	5.6
953.12604	45.5
954.13330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.6
69.03462	3.1
71.01372	1.8
71.97993	1.1
77.21768	1.2
79.01890	1.5
81.03438	2.5
83.01391	1.6
95.01380	15.8
97.02940	4.5
107.01378	13.2
109.02963	1.5
111.00871	3.0
121.02960	1.6
123.00883	44.8
124.01665	18.2
125.02451	92.4
127.00420	2.4
129.77202	1.3
131.05042	1.4
136.98763	2.5
137.02434	3.7
139.00380	5.1
139.04065	7.0
140.01131	3.9
141.01897	3.7
145.02922	2.2
149.02460	1.9
151.00374	3.2
159.04483	1.8
161.02420	3.3
166.99873	17.8
168.00639	22.5
169.01424	100.0
173.02419	1.6
175.04068	2.1
177.01942	3.0
181.01416	2.3
183.02995	16.7
187.03937	4.0
189.05496	2.0
190.02719	2.2
191.03503	2.3
193.01477	3.4
203.03491	3.1
205.01338	3.6
205.05032	2.6
207.03096	1.6
211.02460	3.2
215.03395	2.4
217.05069	3.8
221.00920	1.7
233.04521	3.2
235.02550	2.3
249.04079	1.8
259.02417	1.6
261.03915	1.9
271.02542	1.5
277.03558	4.6
279.05179	4.1
295.04553	5.4
300.02844	1.6
300.99948	2.5
301.03168	1.9
313.05640	4.2
384.29355	1.3
429.04776	2.2
447.09811	2.6
461.07037	1.2
465.06662	1.9
479.08188	2.1
520.02423	1.5
522.08691	1.4
613.08301	2.4
614.09204	1.5
615.09937	2.3
631.09296	12.7
647.49823	1.6
739.10211	2.0
769.09479	7.5
783.10541	63.5
784.10303	1.8
801.11646	7.2
948.63013	1.9
953.12640	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.1
70.06330	1.6
70.06664	1.0
71.01359	0.9
79.01906	1.2
81.03455	2.2
82.00574	1.0
85.02939	1.1
93.03468	1.1
95.01392	5.3
95.55905	0.8
97.02948	2.1
107.01399	7.3
109.02979	2.0
111.00906	1.3
112.42124	0.9
121.02979	1.2
123.00867	10.7
124.01673	13.4
125.02448	67.7
135.04488	0.9
136.01593	2.0
136.98784	0.8
137.02440	5.4
138.03241	12.1
139.00371	2.5
139.04005	2.0
140.01152	3.0
145.02908	1.1
147.04544	1.8
149.02397	2.1
151.00403	1.0
151.03987	1.3
152.01094	5.9
153.01938	1.7
159.04498	1.2
161.02463	3.2
163.03989	2.2
164.01131	4.6
165.01918	11.5
166.02779	3.9
166.99899	1.9
167.03470	2.6
168.00650	12.5
169.01425	72.4
174.03212	1.5
175.04030	2.7
176.01152	2.3
176.04732	1.6
177.01935	2.3
178.02725	2.4
178.99863	2.1
179.03491	2.3
180.00638	16.8
180.04199	3.0
181.01398	2.3
181.05077	1.3
182.02206	1.4
183.02956	4.9
187.03995	1.3
189.01941	1.6
190.02705	3.4
190.99893	1.2
191.03522	5.8
191.05075	0.9
192.00665	5.0
193.01408	8.2
193.05183	1.0
194.02156	1.9
194.99321	7.2
195.03017	3.7
196.03772	2.4
197.04527	1.4
203.03468	3.3
204.04245	7.1
205.01411	2.7
205.05182	1.7
206.02151	1.1
206.99380	0.9
207.02953	3.7
208.00182	2.2
208.03780	24.5
209.00943	4.1
209.04518	1.5
210.01628	1.6
211.02475	34.8
214.02731	2.4
215.03506	2.5
217.01514	1.3
217.05064	1.7
219.03004	1.3
219.06677	2.4
220.03821	2.8
221.00891	1.4
222.01736	4.6
223.02536	4.6
223.06087	4.8
225.04031	3.6
229.04854	0.9
231.02942	2.8
232.03767	26.4
233.04480	2.5
234.01700	5.0
235.02419	4.9
235.06116	1.4
237.03978	5.3
239.05595	1.0
241.03526	3.3
247.02274	1.8
247.06117	5.8
249.03934	5.2
252.02721	1.3
255.05182	4.1
259.02380	2.0
260.03250	3.0
261.04141	5.1
265.03537	1.7
267.05099	23.7
271.04541	3.1
273.04022	2.4
276.02759	8.2
277.03555	1.8
291.05096	14.4
294.03592	1.8
300.99786	2.4
301.05603	1.0
309.06152	10.0
312.05011	1.1
327.07190	7.4
330.05817	1.5
331.06622	1.2
345.08279	25.5
429.04434	4.2
435.09329	1.2
443.05972	1.0
446.04752	1.5
461.07214	20.8
479.08328	100.0
480.08630	2.0
497.09210	5.4
613.08264	3.3
631.09406	5.9
649.10547	23.2
650.10852	1.1
783.10583	4.3
801.11578	64.6
802.12408	2.0
953.13428	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	963.6857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91050	0.3
69.18455	1.7
79.30718	0.3
81.03448	5.5
83.05025	13.4
98.21899	0.6
108.04564	0.4
125.02446	0.5
125.07227	0.6
126.05544	0.4
139.97295	0.4
143.08296	0.4
207.14990	1.2
224.17651	2.1
225.16058	8.8
303.01877	0.4
309.21722	0.9
329.87103	0.3
333.22595	0.5
341.29272	0.7
367.26996	0.9
433.31778	1.5
450.34439	0.9
451.32883	8.8
482.14880	0.3
550.43372	0.4
567.45874	1.1
676.51495	0.6
677.49872	1.6
776.59875	0.7
885.65436	0.7
903.66492	100.0
904.66748	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	967.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59068	0.5
69.59469	1.0
71.01376	3.5
85.02943	3.3
89.02437	2.5
90.97126	3.8
92.44081	0.4
101.02443	1.2
113.02408	0.9
114.97130	1.2
116.98720	1.7
118.95772	0.4
118.96625	8.8
119.03511	1.0
129.05585	1.6
132.98183	1.1
133.09511	0.4
140.98694	1.4
143.00267	2.4
144.98175	0.9
146.96130	2.1
155.00279	0.6
156.98187	2.7
158.99777	4.4
159.96970	0.6
160.97643	1.6
168.98184	2.9
170.99734	2.2
173.73370	0.3
179.05637	0.9
182.99742	9.9
184.97635	1.0
185.01299	6.8
186.99210	2.7
194.99707	0.7
198.99265	0.6
201.00797	4.9
203.02386	9.4
210.99220	1.5
211.02780	1.6
213.00806	2.4
215.02299	0.4
217.00310	1.0
225.00792	0.7
227.02380	7.7
229.03915	0.8
237.00778	1.1
239.02325	0.4
241.47572	0.3
243.01785	2.0
245.03433	7.7
253.03845	1.4
255.01978	0.4
257.03531	1.0
271.04855	1.5
279.05484	0.5
287.04495	1.2
297.06454	1.1
299.04416	0.7
309.11905	3.1
315.07669	0.8
316.04471	0.5
329.05475	0.4
347.06564	15.2
365.07587	16.9
391.05582	0.4
407.08676	3.4
409.06552	1.2
433.10217	2.1
441.52936	0.4
459.11945	1.7
477.12878	9.8
657.19202	100.0
658.19556	2.2
967.31067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63611	2.3
70.58228	3.0
82.27897	2.3
117.03457	2.8
123.00901	2.9
125.75137	2.4
145.02946	8.1
147.04512	3.3
161.02434	3.4
163.03973	4.1
172.73677	2.2
173.02414	8.5
175.03935	4.2
177.83078	2.3
185.02420	4.8
189.01952	5.7
190.02661	6.2
191.03467	5.1
200.01105	7.2
201.01947	14.2
202.59818	2.3
203.03532	6.8
216.00560	3.2
217.01407	7.8
218.02086	5.6
226.99852	4.6
228.00761	6.0
229.01399	24.4
230.01932	3.3
231.02975	7.4
244.00128	4.1
245.00854	13.9
247.02525	7.5
248.03000	3.6
249.03922	4.2
257.00934	16.2
258.01678	3.3
270.98816	4.5
271.99475	3.1
273.00378	10.3
274.01181	18.6
275.01987	49.4
283.99634	4.9
298.98361	11.6
299.99081	33.0
300.99887	100.0
425.01474	3.4
479.04416	4.8
481.05933	6.4
605.07593	7.2
745.03522	4.6
763.03650	4.0
764.05499	4.7
777.05859	3.7
782.06134	13.5
783.06500	7.9
795.07172	3.3
796.07654	3.9
814.08606	9.7
815.09991	3.2
907.08173	38.5
939.11005	13.9
983.48773	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	991.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	0.4
73.11607	0.3
82.56533	0.3
93.03452	0.8
95.01387	0.9
97.02946	0.4
98.22632	0.6
105.03462	0.3
107.01409	2.1
109.02974	0.9
111.00877	0.7
121.00977	0.3
121.02949	1.2
123.00875	1.9
123.04542	0.7
124.01669	3.7
125.02446	11.3
136.01634	0.5
137.02429	2.9
138.03224	0.6
139.00372	1.3
139.04021	1.4
140.01161	1.1
145.02948	0.9
148.01714	0.5
149.02443	2.0
151.00325	0.7
151.03998	0.7
152.01207	0.5
153.01910	0.7
154.02762	0.3
155.03461	0.6
160.32829	0.3
161.02420	1.3
162.03206	1.0
163.00409	0.5
163.03984	0.9
164.01137	3.0
165.01909	3.4
166.02777	1.7
166.99895	0.8
167.03458	1.2
168.00636	4.5
169.01427	14.7
177.01906	0.5
178.02702	0.3
178.99883	1.1
179.03450	0.6
181.01405	2.3
182.02213	1.3
183.02997	3.1
190.02753	1.5
191.03488	1.3
192.00644	29.9
193.01408	43.4
194.02165	3.2
195.02937	1.1
196.03763	4.8
205.01428	1.3
206.02200	2.1
207.01234	0.4
207.02977	10.4
211.02483	16.6
221.00906	1.4
221.04640	0.6
222.01627	1.8
223.02507	0.8
224.03232	3.5
224.05249	0.4
225.04002	3.8
226.96982	0.3
234.01691	5.3
235.02461	4.5
237.04091	0.7
239.05580	2.1
241.03564	1.8
249.04034	1.6
254.04341	1.0
269.06619	1.2
271.04602	12.6
285.06238	1.1
294.03802	0.6
295.04553	0.7
312.04843	3.3
312.43491	0.3
313.05661	3.3
327.07230	3.3
344.07526	0.8
345.08264	0.5
359.09738	2.1
379.27203	0.3
383.96829	0.4
464.05975	1.0
479.08298	100.0
480.08563	1.3
511.10922	30.3
512.11066	0.5
584.23444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30511	1.4
84.97112	0.3
87.00931	0.3
91.05473	0.3
93.03463	0.8
95.01395	0.5
98.21931	0.5
107.01396	1.5
109.02931	0.4
111.00825	0.3
117.03452	0.3
119.30466	0.3
121.02953	0.9
123.00890	2.0
124.01668	2.8
125.02446	6.7
127.00388	0.3
135.04482	0.3
136.01678	0.5
137.02446	1.6
138.03290	0.4
139.00363	0.6
139.04016	0.8
140.01143	0.6
145.02931	0.9
148.01628	0.4
149.02457	2.5
151.00420	0.7
151.03998	0.8
161.02446	1.1
162.03157	0.7
163.03987	0.3
164.01144	2.7
165.01920	3.2
166.02696	1.2
166.99770	0.3
167.03474	0.8
168.00633	3.3
169.01418	7.6
177.01910	1.0
178.02655	0.5
178.99910	0.6
179.03445	0.6
180.00665	0.3
183.02988	1.0
189.01958	0.5
190.02740	1.5
190.99945	0.5
191.03537	1.0
192.00641	33.1
193.01408	47.1
194.02194	3.2
195.02953	0.7
198.51759	0.3
205.01454	1.0
206.02132	1.4
207.02972	11.0
211.02460	9.0
219.83063	0.3
221.00925	1.4
222.01657	1.6
223.02397	0.9
223.13722	0.3
225.04012	0.6
234.01695	5.0
235.02437	5.3
237.03996	0.7
248.97289	0.3
249.04008	2.4
271.04575	4.1
287.66620	0.3
289.97394	0.6
294.03946	0.5
304.47452	0.3
304.79642	0.3
309.06201	0.3
312.04883	3.4
313.05618	3.8
327.07129	2.4
441.98740	0.3
456.80664	0.3
464.05908	1.3
478.07318	0.5
479.08292	100.0
479.80167	0.3
480.08484	2.8
502.01620	0.4
517.03699	4.3
517.09985	0.4
669.04468	1.0
845.10779	0.9
891.65741	0.4
END